LMucko/crystallography-open-database huggingface dataset:
NaBi2Sb3O11 - an ordered structure related to the cubic KSbO3 type
Champarnaud-Mesjard, J.-C.; Frit, B.; Aftati, A.; Elfarissi, M.; European Journal of Solid State and Inorganic Chemistry 32 (1995) 493–504; doi:

data_6000749
_publ_section_title
;
 NaBi2Sb3O11 - an ordered structure related to the cubic KSbO3 type
;
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              493
_journal_page_last               504
_journal_volume                  32
_journal_year                    1995
_chemical_formula_sum            'Bi2 Na O11 Sb3'
_chemical_formula_weight         982.23
_space_group_crystal_system      cubic
_space_group_IT_number           201
_space_group_name_Hall           '-P 2ab 2bc 3'
_space_group_name_H-M_alt        'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4919(2)
_cell_length_b                   9.4919(2)
_cell_length_c                   9.4919(2)
_cell_volume                     855.18(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    154.627
_exptl_crystal_density_diffrn    7.63
_exptl_crystal_density_meas      7.65
_exptl_crystal_F_000             1672
_pd_proc_ls_prof_R_factor        0.0688
_pd_proc_ls_prof_wR_expected     0.0271
_pd_proc_ls_prof_wR_factor       0.0900
_refine_ls_number_parameters     22
_refine_ls_number_reflns         492
_refine_ls_R_I_factor            0.0249
_cod_depositor_comments
;
Rietveld refinements, Fullprof software
;
_cod_database_code               6000749
Powder diffraction study on solid ozone
Marx, R.; Ibberson, R. M.; Solid State Sciences 3 (2001) 195–202; doi:10.1016/S1293-2558(00)01131-6

data_6000750
_publ_section_title
;
 Powder diffraction study on solid ozone
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              195
_journal_page_last               202
_journal_paper_doi               10.1016/S1293-2558(00)01131-6
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            O3
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.7888
_cell_length_b                   6.6973
_cell_length_c                   6.8413
_cell_volume                     356.87
_diffrn_ambient_temperature      5
_cod_database_code               6000750
Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3Cu3Sc4O12 and of 334-phase solid solution members Ba3Cu3Sc4-xInxO12 (0 <= x <= 4)
Gregory, D. H.; Mawdsley, P. R.; Barker, S. J.; Daniell, W.; Weston, D. P.; Journal of Materials Chemistry 11 (2001) 806–814; doi:10.1039/b008787o

data_6000751
_publ_section_title
;
 Synthesis, stoichiometry and structure of the quaternary scandium cuprate
 Ba3Cu3Sc4O12 and of 334-phase solid solution members Ba3Cu3Sc4-xInxO12 (0
 <= x <= 4)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              806
_journal_page_last               814
_journal_paper_doi               10.1039/b008787o
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Ba3 Cu3 O12 Sc4'
_space_group_name_H-M_alt        'I 4/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.9021
_cell_length_b                   11.9021
_cell_length_c                   8.3962
_cell_volume                     1189.41
_cod_database_code               6000751
The ternary system Eu2O3-SrO-CuO: Compounds and phase relations
Han, C. Q.; Chen, X. L.; Liang, J. K.; Liu, Q. L.; Rao, G. H.; Journal of Solid State Chemistry 156 (2001) 247–250; doi:10.1006/jssc.2000.8997

data_6000752
_publ_section_title
;
 The ternary system Eu2O3-SrO-CuO: Compounds and phase relations
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              247
_journal_page_last               250
_journal_paper_doi               10.1006/jssc.2000.8997
_journal_volume                  156
_journal_year                    2001
_chemical_formula_sum            'Cu Eu0.8 O3.4 Sr1.2'
_space_group_name_H-M_alt        'I m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.7130
_cell_length_b                   3.7870
_cell_length_c                   12.6360
_cell_volume                     177.68
_cod_database_code               6000752
Phase relations in the system La2O3-CaO-B2O3
Zhang, Y.; Chen, X. L.; Liang, J. K.; Cao, Y. G.; Xu, T.; Journal of Alloys and Compounds 315 (2001) 198–202; doi:10.1016/S0925-8388(00)01276-7

data_6000753
_publ_section_title
;
 Phase relations in the system La2O3-CaO-B2O3
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              198
_journal_page_last               202
_journal_paper_doi               10.1016/S0925-8388(00)01276-7
_journal_volume                  315
_journal_year                    2001
_chemical_formula_sum            'B3 Ca4 La O10'
_space_group_name_H-M_alt        'C 1 m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 101.400
_cell_angle_gamma                90.000
_cell_length_a                   8.1732
_cell_length_b                   16.0860
_cell_length_c                   3.6268
_cell_volume                     467.42
_cod_database_code               6000753
OH-F disorder in non-centrosymmetric Zn-2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and nmr study; comparison with tridymite and fluoride borates
Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.; Journal of Alloys and Compounds 315 (2001) 285–; doi:10.1016/S0925-8388(01)00891-X

data_6000754
_publ_section_title
;
 OH-F disorder in non-centrosymmetric Zn-2(BO3)(OH)(0.75)F-0.25: ab initio
 structure determination and nmr study; comparison with tridymite and
 fluoride borates
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              285
_journal_paper_doi               10.1016/S0925-8388(01)00891-X
_journal_volume                  315
_journal_year                    2001
_chemical_formula_sum            'B F0.25 H0.75 O4.75 Zn2'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 98.829
_cell_angle_gamma                90.000
_cell_length_a                   6.8738
_cell_length_b                   4.9118
_cell_length_c                   5.7018
_cell_volume                     190.23
_cod_database_code               6000754
A zinc phosphate with laminar structure: (ZnPO4)(4)(H2PO4)(2)(C4N2H14)(2)
Echavarria, A.; Saldarriaga, C.; Microporous and Mesoporous Materials 42 (2001) 59–65; doi:10.1016/S1387-1811(00)00286-9

data_6000755
_publ_section_title
;
 A zinc phosphate with laminar structure: (ZnPO4)(4)(H2PO4)(2)(C4N2H14)(2)
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              59
_journal_page_last               65
_journal_paper_doi               10.1016/S1387-1811(00)00286-9
_journal_volume                  42
_journal_year                    2001
_chemical_formula_sum            'C8 H32 N4 O24 P6 Zn4'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                102.180
_cell_angle_beta                 93.676
_cell_angle_gamma                88.203
_cell_length_a                   8.6590
_cell_length_b                   10.3467
_cell_length_c                   8.3910
_cell_volume                     733.21
_cod_database_code               6000755
New data on rubidium vanadium phosphate Structure determination of the disordered (V-V-P-V) compound Rb-6(V2O3)(2)(VO)(2)(PO4)(4)(HP2-xVxO7) with x similar to 0.6
Le, Fur E; De, Villars B; Tortelier, J.; Pivan, J. Y.; International Journal of Inorganic Materials 3 (2001) 9–15; doi:10.1016/S1466-6049(00)00100-8

data_6000756
_publ_section_title
;
 New data on rubidium vanadium phosphate Structure determination of the
 disordered (V-V-P-V) compound Rb-6(V2O3)(2)(VO)(2)(PO4)(4)(HP2-xVxO7)
 with x similar to 0.6
;
_journal_name_full
;
 International Journal of Inorganic Materials
;
_journal_page_first              9
_journal_page_last               15
_journal_paper_doi               10.1016/S1466-6049(00)00100-8
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'H O31 P6 Rb6 V6'
_space_group_name_H-M_alt        Pmn2
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.5505
_cell_length_b                   7.1407
_cell_length_c                   14.7040
_cell_volume                     1422.76
_cod_database_code               6000756
Localization of potassium in substituted lead hydroxyapatite: Pb9.30K0.60(PO4)(6)(OH)(1.20) by X-ray diffraction
El, Feki H; Naddari, T.; Savariault, J. M.; Ben, Salah A; Solid State Sciences 2 (2000) 725–733; doi:10.1016/S1293-2558(00)01075-X

data_6000757
_publ_section_title
;
 Localization of potassium in substituted lead hydroxyapatite:
 Pb9.30K0.60(PO4)(6)(OH)(1.20) by X-ray diffraction
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              725
_journal_page_last               733
_journal_paper_doi               10.1016/S1293-2558(00)01075-X
_journal_volume                  2
_journal_year                    2000
_chemical_formula_sum            'H1.2 K0.6 O25.2 P6 Pb9.3'
_space_group_name_H-M_alt        'P 63/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.8461
_cell_length_b                   9.8461
_cell_length_c                   7.3591
_cell_volume                     617.85
_cod_database_code               6000757
Phase transformations in CuI under high pressure and shear deformation conditions
Ivdenko, V. A.; Blank, V. D.; Serebryanaya, N. R.; Materials Science Forum  (2000) 878–882; doi:10.4028/www.scientific.net/MSF.321-324.878

data_6000758
_publ_section_title
;
 Phase transformations in CuI under high pressure and shear deformation
 conditions
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              878
_journal_page_last               882
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.878
_journal_volume                  321-324
_journal_year                    2000
_chemical_formula_sum            'Cu I'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.0620
_cell_length_b                   5.0680
_cell_length_c                   4.8460
_cell_volume                     148.88
_diffrn_ambient_pressure         38E+6
_cod_database_code               6000758
A powder diffraction study of the crystal structure and the dehydration process of yttrium potassium oxalate tetrahydrate
Bataille, T.; Auffrédic, J. P.; Louër, D.; Materials Science Forum 321 (2000) 976–981; doi:10.4028/www.scientific.net/MSF.321-324.976

data_6000759
_publ_section_title
;
 A powder diffraction study of the crystal structure and the dehydration
 process of yttrium potassium oxalate tetrahydrate
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              976
_journal_page_last               981
_journal_paper_doi               10.4028/www.scientific.net/MSF.321-324.976
_journal_volume                  321
_journal_year                    2000
_chemical_formula_sum            'C4 H8 K O12 Y'
_space_group_name_H-M_alt        'I 41/a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.4612
_cell_length_b                   11.4612
_cell_length_c                   8.9040
_cell_volume                     1169.62
_cod_database_code               6000759
Synchrotron structural study of AgInTe2
Diaz, M.; de Chalbaud, L. M.; Sagredo, V.; Tinoco, T.; Pineda, C.; Physica Status Solidi B: Basic Solid State Physics 220 (2000) 281–284; doi:10.1002/1521-3951(200007)220:1<281::AID-PSSB281>3.0.CO;2-X

data_6000760
_publ_section_title
;
 Synchrotron structural study of AgInTe2
;
_journal_name_full
;
 Physica Status Solidi B: Basic Solid State Physics
;
_journal_page_first              281
_journal_page_last               284
_journal_paper_doi
10.1002/1521-3951(200007)220:1<281::AID-PSSB281>3.0.CO;2-X
_journal_volume                  220
_journal_year                    2000
_chemical_formula_sum            'Ag In Te2'
_space_group_name_H-M_alt        'I -4 2 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.2620
_cell_length_b                   6.2620
_cell_length_c                   12.8970
_cell_volume                     505.73
_diffrn_ambient_pressure         0.27E+6
_cod_database_code               6000760
Synthesis and characterization of the ternary compound Ag2GeSe3
Velasquez-Velasquez, A.; Belandria, E.; Fernandez, B. J.; Godoy, R. A.; Delgado, G.; Acosta-Najarro, G. D.; Physica Status Solidi B: Basic Solid State Physics 220 (2000) 683–686; doi:10.1002/1521-3951(200007)220:1<683::AID-PSSB683>3.0.CO;2-9

data_6000761
_publ_section_title
;
 Synthesis and characterization of the ternary compound Ag2GeSe3
;
_journal_name_full
;
 Physica Status Solidi B: Basic Solid State Physics
;
_journal_page_first              683
_journal_page_last               686
_journal_paper_doi
10.1002/1521-3951(200007)220:1<683::AID-PSSB683>3.0.CO;2-9
_journal_volume                  220
_journal_year                    2000
_chemical_formula_sum            'Ag2 Ge Se3'
_space_group_crystal_system      monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 115.82(1)
_cell_angle_gamma                90
_cell_length_a                   7.7516(1)
_cell_length_b                   10.874(4)
_cell_length_c                   7.318(1)
_cell_volume                     555.26
_cod_database_code               6000761
Synthesis and crystal structure of a new hydrated iron(III) vanadate Fe2(H2O)[V2O7 .VO3(OH)]
Poizot, P.; Laruelle, S.; Touboul, M.; Louer, M.; Louer, D.; Journal of Materials Chemistry 10 (2000) 1841–1845; doi:10.1039/b000448k

data_6000762
_publ_section_title
;
 Synthesis and crystal structure of a new hydrated iron(III) vanadate
 Fe2(H2O)[V2O7 .VO3(OH)]
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1841
_journal_page_last               1845
_journal_paper_doi               10.1039/b000448k
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'Fe2 H3 O12 V3'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.9900
_cell_length_b                   9.4960
_cell_length_c                   8.3390
_cell_volume                     949.45
_cod_database_code               6000762
Dicalcium nitride, Ca2N - a 2D "excess electron" compound; synthetic routes and crystal chemistry
Gregory, D. H.; Bowman, A.; Baker, C. F.; Weston, D. P.; Journal of Materials Chemistry 10 (2000) 1635–1641; doi:10.1039/b001911i

data_6000763
_publ_section_title
;
 Dicalcium nitride, Ca2N - a 2D "excess electron" compound; synthetic
 routes and crystal chemistry
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1635
_journal_page_last               1641
_journal_paper_doi               10.1039/b001911i
_journal_volume                  10
_journal_year                    2000
_chemical_formula_sum            'Ca2 N'
_space_group_name_H-M_alt        'R -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   3.6287
_cell_length_b                   3.6287
_cell_length_c                   19.0921
_cell_volume                     217.72
_cod_database_code               6000763
Single-crystal growth and electrical properties of BnSi (n=18)
Imai, M.; Kimura, T.; Sato, K.; Hirano, T.; Journal of Alloys and Compounds 306 (2000) 197–202; doi:10.1016/S0925-8388(00)00813-6

data_6000764
_publ_section_title
;
 Single-crystal growth and electrical properties of BnSi (n=18)
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              197
_journal_page_last               202
_journal_paper_doi               10.1016/S0925-8388(00)00813-6
_journal_volume                  306
_journal_year                    2000
_chemical_formula_sum            'B18 Si'
_space_group_name_H-M_alt        R???
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   11.0970
_cell_length_b                   11.0970
_cell_length_c                   23.8800
_cell_volume                     2546.69
_cod_database_code               6000764
Powder diffraction data for the germanides CoGe and Co5Ge7
Audebrand, N.; Ellner, M.; Mittemeijer, E. J.; Powder Diffraction 15 (2000) 120–122; doi:10.1017/S0885715600010964

data_6000765
_publ_section_title
;
 Powder diffraction data for the germanides CoGe and Co5Ge7
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              120
_journal_page_last               122
_journal_paper_doi               10.1017/S0885715600010964
_journal_volume                  15
_journal_year                    2000
_chemical_formula_sum            'Co Ge'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 100.889
_cell_angle_gamma                90.000
_cell_length_a                   10.6300
_cell_length_b                   3.8014
_cell_length_c                   4.9347
_cell_volume                     195.82
_cod_database_code               6000765
Powder diffraction data for the germanides CoGe and Co5Ge7
Audebrand, N.; Ellner, M.; Mittemeijer, E. J.; Powder Diffraction 15 (2000) 120–122; doi:10.1017/S0885715600010964

data_6000766
_publ_section_title
;
 Powder diffraction data for the germanides CoGe and Co5Ge7
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              120
_journal_page_last               122
_journal_paper_doi               10.1017/S0885715600010964
_journal_volume                  15
_journal_year                    2000
_chemical_formula_sum            'Co5 Ge7'
_space_group_name_H-M_alt        'I 4 m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   7.6262
_cell_length_b                   7.6262
_cell_length_c                   5.8017
_cell_volume                     337.42
_cod_database_code               6000766
A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O
Gobichon, A. E.; Auffredic, J. P.; Louer, D.; Powder Diffraction 15 (2000) 23–25; doi:10.1017/S0885715600010782

data_6000767
_publ_section_title
;
 A temperature-dependent powder diffraction study of chromium lanthanum
 nitrate, LaCr(NO3)(6).12H(2)O
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              23
_journal_page_last               25
_journal_paper_doi               10.1017/S0885715600010782
_journal_volume                  15
_journal_year                    2000
_chemical_formula_sum            'Cr H24 La N6 O30'
_space_group_name_H-M_alt        'R -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.9564
_cell_length_b                   10.9564
_cell_length_c                   16.8350
_cell_volume                     1750.17
_cod_database_code               6000767
A temperature-dependent powder diffraction study of chromium lanthanum nitrate, LaCr(NO3)(6).12H(2)O
Gobichon, A. E.; Auffredic, J. P.; Louer, D.; Powder Diffraction 15 (2000) 23–25; doi:10.1017/S0885715600010782

data_6000768
_publ_section_title
;
 A temperature-dependent powder diffraction study of chromium lanthanum
 nitrate, LaCr(NO3)(6).12H(2)O
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              23
_journal_page_last               25
_journal_paper_doi               10.1017/S0885715600010782
_journal_volume                  15
_journal_year                    2000
_chemical_formula_sum            'Cr H12 La N6 O24'
_space_group_name_H-M_alt        'P 21 3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.3010
_cell_length_b                   12.3010
_cell_length_c                   12.3010
_cell_volume                     1861.32
_cod_database_code               6000768
Synthesis and characterization of basic bismuth(III) nitrates
Christensen, A. N.; Chevallier, M. A.; Skibsted, J.; Iversen, B. B.; Dalton (2000)  (2000) 265–270; doi:10.1039/A908055D

data_6000769
_publ_section_title
;
 Synthesis and characterization of basic bismuth(III) nitrates
;
_journal_coden_ASTM              DALTFG
_journal_name_full               'Dalton (2000)'
_journal_page_first              265
_journal_page_last               270
_journal_paper_doi               10.1039/A908055D
_journal_year                    2000
_chemical_formula_sum            'Bi6 H6 N3 O10.5'
_symmetry_cell_setting           tetragonal
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.8175
_cell_length_b                   3.8175
_cell_length_c                   17.1490
_cell_volume                     249.92
_cod_database_code               6000769
Synthesis and characterization of basic bismuth(III) nitrates
Christensen, A. N.; Chevallier, M. A.; Skibsted, J.; Iversen, B. B.; Dalton (2000)  (2000) 265–270; doi:10.1039/A908055D

data_6000770
_publ_section_title
;
 Synthesis and characterization of basic bismuth(III) nitrates
;
_journal_coden_ASTM              DALTFG
_journal_name_full               'Dalton (2000)'
_journal_page_first              265
_journal_page_last               270
_journal_paper_doi               10.1039/A908055D
_journal_year                    2000
_chemical_formula_sum            'Bi6 H7 N5 O25'
_symmetry_cell_setting           rhombohedral
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   15.1850
_cell_length_b                   15.1850
_cell_length_c                   15.8340
_cell_volume                     3161.92
_cod_database_code               6000770