33 results about "Cell parameter" patented technology

This invention relates to the field of chemical pharmaceuticals, and more particularly to a mebendazole crystal form and its preparation method. The mebendazole crystal form has a single-crystal structure belonging to the triclinic crystal system; space group Triclinic P; cell parameters a = 6.10 Å, b = 15.69 Å, c = 20.35 Å; α = 94.14°; β = 97.22°, γ = 90.70°, V = 1926 Å. 3 The optimization and development of the crystalline form of p-toluimidazole provided by this invention is of great value.

This invention discloses a barium borate crystal, its preparation method, and its applications. The barium borate crystal has the chemical formula Ba₂BeB₂O₆, a non-centrosymmetric structure, belongs to the orthorhombic crystal system, has the space group Pca₂₁, and its cell parameters are α = 90°, β = 90°, and γ = 90°. This barium borate crystal exhibits extremely low birefringence from the ultraviolet to the infrared band, and its extremely low birefringence supports its application on zero-order glass slides.

This invention relates to a method for preparing a nonlinear optical material and its application, specifically a magnesium aminodiacetate dihydrate compound. The molecular formula of the crystal is Mg[NH2(CH2COO)2]·2H2O. The Mg[NH2(CH2COO)2]·2H2O crystal does not have a center of symmetry, belongs to the tetragonal crystal system, has a space group of P-421c, and has cell parameters of α=β=γ=90°, Z=2. The nonlinear optical crystal of this invention has a large frequency doubling effect; at the same time, its ultraviolet absorption edge is 225nm, thus belonging to the tetragonal crystal system, with a space group of P-421c and cell parameters of α=β=γ=90°, Z=2. The nonlinear optical crystal can achieve the second harmonic of Nd:YAG (λ=1.064μm); and it can be predicted that the Mg[NH2(CH2COO)2]·2H2O crystal can be used in the third harmonic generator of Nd:YAG.

The invention relates to a second-order nonlinear optical material crystal amino methanesulfonic acid as well as preparation and application thereof. The chemical formula of the crystal is O3SCH2NH3, the molecular weight of the crystal is 111.12, the crystal belongs to a monoclinic system, the space group of the crystal is Cm, the cell parameters are alpha = gamma = 90 degrees, beta = 129.7-131.7 degrees, Z = 2, and the cell volume of the crystal is structurally characterized in that the crystalline material is a three-dimensional frame formed by connecting [O3SCH2NH3] elements through hydrogen-bond interaction. The amino methanesulfonic acid crystal material has excellent optical performance, and under 1064nm laser irradiation, the powder frequency doubling intensity is about 3.8 times that of a KH2PO4 (KDP) crystal; under the irradiation of 532 nm laser, the frequency doubling strength of the powder is about 0.7 time of that of the beta-BaB2O4 (BBO) crystal, and phase matching can be realized. Besides, the crystal material has moderate birefringence at 546 nm, the ultraviolet absorption cut-off edge is smaller than 170 nm, and the crystal material has stable physical and chemical properties and has important application value in the photoelectric fields of photoetching, laser frequency conversion, environmental monitoring and the like.

The application provides a compound beta-cesium cadmium silicon sulfur and a beta-cesium cadmium silicon sulfur nonlinear optical crystal and a preparation method and an application, the chemical formula of the compound is beta-Cs2CdSi4S 10 , the molecular weight is 755.04, the chemical formula of the crystal is beta-Cs2CdSi4S 10 , and the molecular weight is 755.04. The crystal belongs to a tetragonal system, the space group is I -4, the cell parameter is a=8.4233(7)Å, c=14.6136(12)Å, and the unit cell volume is 1036.86(19)Å 3 . The crystal is prepared by a vacuum sealing tube method, the frequency doubling effect of the beta-Cs2CdSi4S 10 crystal is about 1.1-1.2 times of that of AgGaS2 (AGS); the band gap of the crystal is 4.21 eV, the ultraviolet cutoff edge is 254 nm, and the infrared transparent range is greater than 8 mu m. The crystal has the advantages of simple preparation process, short growth period, avoidance of raw material leakage and pollution. The crystal has important applications in the fields of atmospheric remote sensing and communication, and can be used for manufacturing frequency down-conversion devices for high-power laser output applications.

The application discloses application of In2Te5 crystal in preparation of a nonlinear optical device in an infrared wave band. The In2Te5 crystal belongs to a monoclinic system, a Cc space group, has a cell parameter of alpha = gamma = 90 DEG, beta = 91.65 DEG, z = 4, and a unit cell volume of 0.56. The In2Te5 crystal can be used as a nonlinear optical material in preparation of a nonlinear optical device, and its frequency doubling coefficient is about 2-3 times of that of a ZnGeP2 crystal and 15 times of that of an AgGaS2 crystal. The infrared transmission range of the In2Te5 crystal can reach 30 microns. The optical birefringence of the In2Te5 crystal can reach 0.56, so the In2Te5 crystal can be used as a good mid-infrared nonlinear optical material, a mid-infrared photoconductive material and a mid-infrared birefringent material, and can be widely applied in various nonlinear optical fields, especially in the nonlinear optical application in the mid-infrared wave band.

The invention belongs to the technical field of birefringent crystal materials, and particularly relates to a birefringent crystal and a preparation method and application thereof. The chemical formula of the birefringent crystal is Na6 [ZnF2 (B12O24H6)], the birefringent crystal belongs to a trigonal system, the space group is R-3c, and the cell parameters are alpha = 90 degrees, beta = 90 degrees and gamma = 120 degrees. The crystal belongs to an indirect band gap compound, the band gap of the crystal is 4.10 eV, and the crystal has high thermal stability which can reach 380 DEG C. The birefringence of the crystal is delta n = 0.05 at 546 nm, and the crystal is a potential birefringence crystal material.

The invention discloses a chiral crystal as well as a preparation method and application thereof. The molecular formula of the chiral crystal is C5H14N2I4, the chiral crystal belongs to a monoclinic system, and the space group is P21; the cell parameters of the chiral crystal are as follows: alpha is equal to 90 degrees, beta is equal to 94.75 degrees, gamma is equal to 90 degrees, and Z is equal to 2; or the cell parameters of the chiral crystal are as follows: a = 8.88, alpha = 90 degrees, beta = 94.95 degrees, gamma = 90 degrees, and Z = 2. The chiral crystal not only has huge birefringence performance, but also shows excellent nonlinear optical effect, and can be used for preparing polarization devices and nonlinear optical devices.

The invention discloses a benzoic acid-nicotinamide eutectic crystal for structural characterization and a preparation method of the benzoic acid-nicotinamide eutectic crystal, and belongs to supramolecular chemistry and crystal engineering. The eutectic is formed by benzoic acid and nicotinamide according to the molar ratio of 1: 1 through intermolecular hydrogen bonds, the molecular formula is CHNO, the eutectic belongs to a monoclinic system, the space group is P2 / c, and the cell parameters are as follows: a = 19.4325 (16), b = 4.9956 (4), c = 12.7449 (10), alpha = 90 degrees, beta = 90.946 (7) degrees and gamma = 90 degrees. The invention provides a method for slowly volatilizing and crystallizing a solution. A colorless columnar crystal suitable for single crystal X-ray diffraction analysis can be obtained through growth. The method is simple and convenient in process and good in reproducibility, controllable preparation and structural analysis of the co-crystal are realized for the first time, and a reliable basis is provided for structure-activity relationship research of the co-crystal and solid-state development of drugs.

The invention discloses a reverse design and optimization method for a two-dimensional deformation adjustable mechanical structure, and the method comprises the steps: firstly defining cell geometric feature parameters and carrying out the parametric modeling based on negative Poisson's ratio cells; constructing a finite element simulation database of multiple groups of parameters, and training a neural network proxy model to learn a mapping relationship between parameters and deformation; in combination with a genetic algorithm, performing iterative optimization by taking a root-mean-square error of a control point coordinate as fitness to obtain an optimal cell parameter; a sample piece is prepared through additive manufacturing, the deformation of the sample piece is highly matched with a target curve through tensile test and digital image related technology verification, the design period is greatly shortened, the design precision and efficiency of a complex structure are improved, and the method is suitable for the fields of aerospace, biomedicine, flexible electronics and soft robots. And flexible deformation regulation and control requirements in multiple scenes can be met.

This application discloses a fluorinated zirconium phosphate compound, its nonlinear optical crystal, its preparation method, and its applications. The chemical formula of the fluorinated zirconium phosphate compound is Zr(H2PO4)(HPO4)F·nH2O, where 0≤n≤3, and n is an integer. Its nonlinear optical crystal consists of a two-dimensional infinite layered structure formed by [ZrO5F] coordination polyhedra and [HPO4] and [H2PO4] tetrahedra connected by shared oxygen atoms, with interlayer crystal water molecules forming a hydrogen bond network. The nonlinear optical crystal is a non-centrosymmetric crystal; it belongs to the monoclinic crystal system; and its space group is [missing information - likely a specific space group or group]. I 2; The unit cell parameters of a nonlinear optical crystal are a =10.1200(5)Å, b =6.5653(3)Å, c =15.6899(8), β =92.340(5), unit cell volume V =1041.58(9)Å 3 This nonlinear optical crystal possesses deep ultraviolet transparency, a considerable frequency doubling response, and high birefringence, thus meeting the application requirements of nonlinear optical devices. Furthermore, the preparation method has the advantages of simple operation, low cost, low pollution, and low toxicity of the raw materials used.

This invention relates to the field of intelligent linkage control technology, specifically to an intelligent linkage control system and method based on MPCVD process parameters. The system includes: collecting current state data of the MPCVD equipment; constructing a parameter coupling model to analyze the current state data, obtaining a dynamic coupling matrix and parameter evolution prediction trajectory, and generating an optimal control sequence; the parameter coupling model includes a parameter coupling relationship identification unit, a parameter evolution prediction unit, and a multi-parameter collaborative optimization unit; decomposing the first control action in the optimal control sequence into adjustment commands for each actuator, and establishing a timing control scheme based on the response time differences of the actuators; comparing the parameter evolution prediction trajectory with the actual measured parameter response in each control cycle, triggering online adjustment when the prediction error exceeds a set threshold, and incrementally learning and updating the parameter coupling model using the production data from the most recent batch.

The application discloses a 5-ALA phosphate monocrystal and a preparation method thereof, and relates to the technical field of monocrystals. The 5-ALA phosphate monocrystal has a crystal structure belonging to a monoclinic system, a space group P121 / c1, and cell parameters including a length a=11.0810 angstrom, b=9.2681 angstrom, c=9.3131 angstrom, an angle alpha=90.00 degree, beta=92.793 degree, and gamma=90.00 degree. Compared with the amorphous / polycrystalline 5-ALA phosphate in the prior art, the crystal form of which is unknown, the monocrystal of the application belongs to the monoclinic system (space group P121 / c1), the cell parameters are clear, the R factor is less than or equal to 0.0384 as determined by single crystal X-ray diffraction, the purity is greater than or equal to 99.5%, and there is no solvent co-crystallization impurity, so that the problem of large performance difference between product batches is solved.

This invention discloses a method and apparatus for determining the structure of covalent organic frameworks (COFs) by combining XRD data and artificial intelligence. The method collects information on COF precursors and inputs it into an AI model. A particle swarm optimization heuristic algorithm is used to construct and screen effective COF candidate structures in a global search space. Using crystallographic calculation tools, bond lengths and bond angles are calculated and theoretical XRD patterns are simulated by combining the atomic coordinates, unit cell parameters, and space group information of the effective COF candidate structures. Combining experimental real XRD patterns and the average bond lengths and bond angles from the COF database, a fitness function is defined and calculated to quantify structural differences. Based on the fitness function value, the algorithm iteratively adjusts the structural parameters to generate new structures. This process is repeated until the function value converges or the maximum number of iterations is reached. The structure that meets the conditions is output as the final crystal structure of the target COF. This invention solves the problems of low efficiency, high cost, and low success rate in resolving complex systems in existing technologies.

The application belongs to the field of covalent organic framework materials, and particularly relates to synthesis of a compound, a covalent organic framework material containing bimetal units, a preparation method and use thereof. The structural unit belongs to a hexagonal crystal system P3 space group, and cell parameters are alpha=90°, beta=90°, gamma=120°. Due to the uniqueness of the material structure, the material can be used as a photocatalyst, and can directly perform a gas-liquid catalytic reaction under visible light driving to reduce carbon dioxide into carbon monoxide, with a yield of 320 micromoles per gram ‑1 , and an average of 64 micromoles per gram ‑1 h ‑1 per hour.

This invention relates to a series of malonate borate nonlinear optical crystals, their preparation methods, and applications. The general molecular formula of this series of compounds is AM[C3H2O4]B(OH)3(H2O). x Where A = K, Rb, Cs; M = K, Rb, Cs, x = 0, 1, molecular weight is 242.08–436.72, prepared by room temperature solution method, orthorhombic crystal system, space group P 212121 (No. 19), with cell parameters a = 6.6168(11) - 7.256(3) Å, b = 9.574(5) - 10.271(3) Å, c = 13.0172(12) - 13.984(5) Å. α =90, β =90, gamma =90, Z =4, V=851.3(4)-1042.2(7)Å 3 The series of malonate borate nonlinear optical crystals obtained by this method have advantages such as a wide transmission band, stable physicochemical properties, moderate mechanical hardness, resistance to breakage, and ease of cutting, polishing, and storage. They can withstand 1064nm infrared light incident on AM[C3H2O4]B(OH)3(H2O). x The crystal can produce green frequency-doubled light with a wavelength of 532nm, and the output intensity is about 0.5-1.2 times that of KDP under the same conditions.

The application discloses a spermidine trihydrochloride monocrystal and a preparation method thereof, and relates to the technical field of monocrystals. The spermidine trihydrochloride monocrystal has a monoclinic crystal system; the unit cell parameters of the monocrystal satisfy a=27.3554 Å, b=5.4670 Å and c=4.54631 Å, and the error range is ±0.0001 Å; and the unit cell angle of the monocrystal satisfies α=90.00°, β=90.490° and γ=90.00°, and the error range of the β angle is ±0.001°. The spermidine trihydrochloride monocrystal has clear monoclinic crystal system properties, stable unit cell parameters and controllable errors, an R factor is less than or equal to 0.0373 and is in a regular sheet shape, the crystal quality is excellent and the structure is clear, and the spermidine trihydrochloride monocrystal not only provides accurate structure support for the research on a molecular action mechanism, but also completely solves the core pain points that the quality of existing products fluctuates greatly and is difficult to standardize.

The invention relates to an integrated generation system and method for a spiral tomography Lattice structure based on active geometric blocking, and the method comprises the steps: receiving Lattice reference parameters and blocking unit parameters inputted by a user, generating array three-dimensional model data corresponding to regularly distributed Lattice vertex units through a space filling algorithm according to the Lattice reference parameters, and carrying out the processing of the array three-dimensional model data, according to the vertex array three-dimensional model data, determining an implantation position coordinate corresponding to the blocking unit through a preset topological geometric rule, according to the blocking unit parameters and the implantation position coordinate, generating three-dimensional virtual geometry model data, and merging the array three-dimensional model data and the three-dimensional virtual geometry model data to obtain a three-dimensional virtual geometry model; and generating three-dimensional treatment structure data. Therefore, a Lattice treatment structure which can be used for realizing different dose peak-to-valley ratio characteristics can be actively, accurately and predictably generated by a user through adjusting visual geometric parameters, and the clinical working efficiency is improved.

Disclosed are a material analysis method based on the crystal structure database, a system, a computer-readable storage medium and an application. The material analysis method includes comparing experimental pattern information obtained from examination of a to-be-tested sample with theoretical pattern information calculated from material structure data in the crystal structure database, and obtaining crystallographic information and phase composition of the to-be-tested sample through intelligent analysis. The crystallographic information include space group, unit cell parameter, and specific coordinates of atoms in unit cell. The crystal structure database has material structure data obtained by experimental measurement and / or theoretical prediction, including chemical formula, space group, unit cell parameter and specific coordinates of atoms in unit cell. Based on this method, large-scale high-throughput and high-precision material analysis can be achieved, laying the foundation for building a data mining and analysis platform for material patterns.

This invention relates to imidazole trifluoroacetamidine nonlinear optical crystals, their preparation methods, and applications. The crystal has the molecular formula C(NH₂)₂CF₃(C₃N₂H₃), a molecular weight of 180.15, belongs to the orthorhombic crystal system, and has a space group of [missing information]. I 212121, cell parameters are a =8.781(1)Å, b =9.0684(9)Å, c =9.1540(8)Å, α =90.00° β =90.00° gamma =90.00° Z =4, V =728.93(13)Å 3 A millimeter-sized crystal was grown using an evaporation method and an aqueous solution cooling method. The crystal's ultraviolet absorption edge is shorter than 210 nm, and its experimental birefringence is approximately 0.12 at 546 nm. The preparation method is simple and low-cost, exhibiting significant nonlinear optical effects, a large birefringence, a wide transmission range, and ease of growth and processing. It can be used as an ultraviolet nonlinear optical crystal and a birefringent crystal.

The invention provides a stochastic gradient impact energy absorption negative Poisson's ratio honeycomb lattice structure design method, and belongs to the field of energy absorption lattice structure optimizing.The method comprises the steps that a unit cell parameter set and a structure parameter set are determined, multiple sample lattice structures are constructed, compression simulation is conducted on the multiple sample lattice structures, and a prediction model is established; and through a prediction model, the generated initial stochastic gradient parameter population is predicted and iterated to obtain a target stochastic gradient parameter population, and a stochastic gradient impact energy absorption negative Poisson's ratio honeycomb lattice structure is constructed. According to the scheme provided by the invention, the lattice structure with complex and non-uniform mechanical response is generated by fusing stochastic gradient sequence non-decreasing height H-Ln and length l-Ln distribution with negative Poisson's ratio concave hexagonal unit cell topology, so that the energy absorption efficiency and force-displacement curve characteristics of the structure under the impact load can be improved according to specific target requirements, and the energy absorption efficiency and the force-displacement curve characteristics of the structure under the impact load can be improved. For example, accurate regulation and control and optimization are carried out according to a specific target force-displacement curve.

The application discloses a fluorine-containing zirconium phosphate compound, a nonlinear optical crystal thereof and a preparation method and application thereof, and belongs to the technical field of inorganic functional crystal materials. The chemical formula of the fluorine-containing zirconium phosphate compound is ZrPO4F. The nonlinear optical crystal is composed of a [PO4] tetrahedron and a fluorine-containing zirconium coordination polyhedron to form a three-dimensional skeleton structure, zirconium is six-coordinated and forms a zirconium oxygen coordination polyhedron containing F; the nonlinear optical crystal is a non-centrosymmetric crystal; the nonlinear optical crystal is of an orthorhombic system; the space group of the nonlinear optical crystal is Pna 21; the cell parameters of the nonlinear optical crystal are a = 11.6094 (5) Å, b = 6.9038 (3) Å, c = 5.4921 (2) Å, α = β = γ = 90°, Z = 4, and the unit cell volume is V = 440.19 (3) Å 3 . The nonlinear optical crystal has a nonlinear optical effect, a large band gap (deep ultraviolet transparency), a wide transmission range and easy preservation, and is a nonlinear optical crystal material with great potential application value.

This invention relates to a potassium aminodiacetate compound and its nonlinear optical crystal, preparation method, and uses. The crystal has the molecular formula K[NH2(CH2COO)2], and the K[NH2(CH2COO)2] crystal does not have a center of symmetry, belongs to the monoclinic crystal system, has a space group of P21, and has cell parameters α = γ = 90°, β = 98.686°. The nonlinear optical crystal of this invention has good phase matching ability; at the same time, its ultraviolet absorption edge is 208 nm, therefore the K[NH2(CH2COO)2] nonlinear optical crystal can achieve the second harmonic of Nd:YAG (λ = 1.064 μm); and it can be predicted that the K[NH2(CH2COO)2] crystal can be used for the third and fourth harmonic generators of Nd:YAG.

The present application relates to a kind of material thermodynamic parameter calculation method considering thermal expansion and phonon reorganization.The temperature-dependent effective potential (TDEP) method is used to non-perturbatively calculate phonon reorganization, independently scale asymmetric equivalent cell parameters to simulate thermal expansion, and the temperature-dependent thermodynamic data of material can be accurately calculated, which can help to quantitatively reveal the relative contribution of entropy and enthalpy to free energy, and evaluate the influence of phonon reorganization and thermal expansion on material stability.The core idea of the temperature-dependent effective potential method is to use a temperature-dependent effective harmonic potential to approximate the true atomic vibration potential, and the temperature dependence is reflected in the displacement of the atoms from their equilibrium positions due to thermal and quantum fluctuations.The use of efficient random sampling to estimate the potential energy surface can greatly reduce the computational cost compared to molecular dynamics calculations.

The application provides a crystal structure generation method and device, equipment, electronic equipment and a computer readable storage medium. The method comprises the following steps: obtaining a first crystal structure set of a predicted molecule; performing feature extraction on the first crystal structure set as a training set to obtain a feature vector of each crystal structure in the training set; training a neural network according to the feature vector of each crystal structure in the training set; generating a second crystal structure of the predicted molecule according to the neural network; the feature vector comprises: a cell parameter or a degree of freedom of a cell, a flexible angle of a molecular conformation or a molecular conformation, a position and a posture of the molecular conformation in the cell, or a central position and a direction of the molecular conformation in the cell; and the application can improve the generation efficiency of the crystal structure of the predicted molecule.

The invention discloses an organic-inorganic hybrid calcium thiocyanate nonlinear optical crystal material as well as a preparation method and application thereof, and belongs to the technical field of optical crystal materials. The chemical formula of the nonlinear optical crystal material is Ca (SCN) (L-C5H8NO4), the nonlinear optical crystal material belongs to an orthorhombic system, the space group is P212121, the cell parameters a are equal to 5.0910 (4), b is equal to 7.8952 (8), c is equal to 23.714 (2), alpha is equal to beta, gamma is equal to 90 degrees, z is equal to 4, and the unit cell volume is 953.17 (15) 3. According to the invention, the amino acid-oriented organic-inorganic hybrid calcium thiocyanate nonlinear optical crystal material Ca (SCN) (L-C5H8NO4) is successfully prepared for the first time, and the research blank of the system is filled. The raw materials used in the preparation process are cheap and easy to obtain, the process is simple, the repeatability is good, and complex operations such as high temperature and high pressure are avoided.

The invention discloses a zero-dimensional organic-inorganic hybrid halide scintillator single crystal, a preparation method and application, and belongs to the technical field of X-ray excitation scintillator materials. The chemical formula of the scintillator single crystal is C46H48P2Cu4I6, the molecular weight of the scintillator single crystal is 1678.34, the crystal system of the scintillator single crystal is triclinic, and the space group of the scintillator single crystal is P-1; the unit cell parameters are as follows: a is equal to 11.1027, b is equal to 11.8913, c is equal to 12.510, alpha is equal to 64.126 degrees, beta is equal to 68.782 degrees, and gamma is equal to 66.901 degrees. The scintillator single crystal has relatively large Stokes shift and high photoluminescence quantum efficiency (PLQY), and emits green light under ultraviolet light. A scintillator film prepared from the zero-dimensional organic-inorganic hybrid halide scintillator single crystal has good X-ray light yield, and can be used for X-ray imaging to obtain high-resolution imaging pictures.

The invention discloses an S-equol single crystal and a preparation method thereof, and relates to the technical field of crystal preparation. The invention relates to an S-equol single crystal, which is composed of pure S-equol molecules, is not co-crystallized with solvent molecules, belongs to an orthorhombic crystal system, has a space group of P212121, and has cell parameters of a = 9.225, b = 9.449, c = 13.055, and alpha = beta = gamma = 90 degrees. The obtained S-equol single crystal is high in purity and free of solvent co-crystallization, the crystal system (orthorhombic system), the space group (P212121) and the cell parameters are clear, the S configuration can be accurately determined through single crystal X-ray diffraction in combination with Flack parameters, and the problems that in the prior art, the S-equol crystal form is fuzzy, and the configuration detection precision is low are solved.

This invention discloses a method for determining the macroscopic composition and microstructure of carbon materials using X-ray powder diffraction, belonging to the field of carbon material testing technology. This invention establishes amorphous carbon structure models and graphite-like carbon structure models using experimental or simulation methods. Utilizing the graphite crystal structure, the XRD spectra obtained from carbon material samples are fitted and peaked using full-spectrum fitting software to obtain accurate unit cell parameters, precise peak positions, and peak intensities. The content of each component in the carbon material is calculated using the Rietveld quantitative method. Microstructural parameters are calculated using the Bragg formula. This invention is the first to propose a method for calculating the content of amorphous carbon, graphite-like carbon, and graphitic carbon in carbon materials. The microstructural parameter calculation method is more accurate and reliable than existing methods, while being simple to operate, eliminating human error, facilitating data sharing and method standardization, and playing a positive role in promoting the research and production of carbon materials.

The invention belongs to the technical field of birefringent crystal materials, and particularly relates to a topological structure crystal with large birefringence and a preparation method and application thereof. The chemical formula of the topological structure crystal with the large birefringence is KZn3B2O6F, the topological structure crystal belongs to a hexagonal system, the space group is P63 / m, and the cell parameters are that alpha is equal to 90 degrees, beta is equal to 90 degrees, and gamma is equal to 120 degrees. The crystal provided by the invention has a novel zeolite-like topological structure with a plurality of crossed channels, and is endowed with thermal stability as high as 700 DEG C. The crystal belongs to an indirect band gap compound, the band gap is 4.23 eV, the theoretical birefringence of the crystal is delta n = 0.11 at 546 nm, and the crystal has the maximum birefringence in reported boron zincate crystals and is a potential birefringence crystal material.