LMucko/crystallography-open-database huggingface dataset:
Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12]
Nikitin, A. V.; Belov, N. V.; Doklady Akademii Nauk SSSR 146 (1962) 1401–1403; doi:

data_9015674
_publ_section_title
;
 Crystal structure of batisite, Na2BaTi2Si4O14 = Na2BaTi2O2[Si4O12]
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1401
_journal_page_last               1403
_journal_volume                  146
_journal_year                    1962
_chemical_formula_sum            'Ba Na2 O14 Si4 Ti2'
_chemical_name_mineral           Batisite
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.40
_cell_length_b                   13.85
_cell_length_c                   8.10
_cell_formula_units_Z            4
_cell_volume                     1166.724
_database_code_amcsd             0012440
_exptl_crystal_density_diffrn    3.503
_cod_original_formula_sum        'Na2 Ba Ti2 Si4 O14'
_cod_database_code               9015674
Room-Temperature Structure of Ammonium Tetrafluorate(III), NH4(FeF4) _cod_database_code 1000206
Leblanc, M.; Ferey, G.; Pape, R.; Acta Crystallographica, Section C 41 (1985) 657–660; doi:10.1107/S0108270185005005

data_9015675
_publ_section_title
;
 Room-Temperature Structure of Ammonium Tetrafluorate(III), NH4(FeF4)
 _cod_database_code 1000206
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              657
_journal_page_last               660
_journal_paper_doi               10.1107/S0108270185005005
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'F4 Fe N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.559
_cell_length_b                   7.575
_cell_length_c                   12.754
_cell_formula_units_Z            8
_cell_volume                     730.287
_database_code_amcsd             0010006
_exptl_crystal_density_diffrn    2.653
_cod_duplicate_entry             1000206
_cod_original_formula_sum        'Fe F4 N'
_cod_database_code               9015675
_amcsd_formula_title             NH4(FeF4)
Paradamite
Hawthorne, F. C.; Acta Crystallographica, Section B 35 (1979) 720–722; doi:10.1107/S0567740879004520

data_9015676
_publ_section_title
;
 Paradamite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              720
_journal_page_last               722
_journal_paper_doi               10.1107/S0567740879004520
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        'Mapimi, Mexico'
_chemical_formula_sum            'As H O5 Zn2'
_chemical_name_mineral           Paradamite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.25
_cell_angle_beta                 104.37
_cell_angle_gamma                87.72
_cell_formula_units_Z            2
_cell_length_a                   5.638
_cell_length_b                   5.827
_cell_length_c                   6.692
_cell_volume                     207.268
_database_code_amcsd             0019266
_exptl_crystal_density_diffrn    4.594
_cod_original_formula_sum        'Zn2 As O5 H'
_cod_database_code               9015676
Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure
Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C.; Mineralogical Magazine 76 (2012) 37–44; doi:10.1180/minmag.2012.076.1.37

data_9015677
_publ_section_title
;
 Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the
 Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district,
 Kazakhstan: description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              37
_journal_page_last               44
_journal_paper_doi               10.1180/minmag.2012.076.1.37
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Verkhnee Espe deposit, Kazakhstan'
_chemical_formula_sum
'Ca0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03'
_chemical_name_mineral           Natrotitanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.1269
_cell_angle_gamma                90
_cell_length_a                   6.5691
_cell_length_b                   8.6869
_cell_length_c                   7.0924
_cell_formula_units_Z            4
_cell_volume                     369.372
_database_code_amcsd             0018669
_exptl_crystal_density_diffrn    3.888
_cod_original_formula_sum
'(Na.39 Ca.32 Y.15 Dy.03 Yb.03 Er.03 Ce.01 Ho.01 Tm.01 Gd.01 Nd.01) (Ti.94 Nb.02 Sn.01 Fe.01 Mn.01 V.01) Si O4.83 F.17'
_cod_database_code               9015677
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L13, ordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9015678
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L13, ordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.209 B3 Ca0.583 F0.647 Fe0.015 H3.353 Li1.491 Mg0.06 Mn0.033 Na0.345 O30.353 Pb0.006 Si6 Ti0.009'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.8449
_cell_length_b                   15.8449
_cell_length_c                   7.1053
_cell_formula_units_Z            3
_cell_volume                     1544.870
_database_code_amcsd             0018422
_exptl_crystal_density_diffrn    3.045
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.583 Na.345 Pb.006 Ti.009 Al7.209 Fe.015 Mg.06 Mn.033 Li1.491 Si6 B3 F.647 O30.353 H3.353'
_cod_database_code               9015678
The crystal structure of the elusive huemulite
Colombo, F.; Baggio, R.; Kampf, A. R.; The Canadian Mineralogist 49 (2011) 849–864; doi:10.3749/canmin.49.3.849

data_9015679
_publ_section_title
;
 The crystal structure of the elusive huemulite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              849
_journal_page_last               864
_journal_paper_doi               10.3749/canmin.49.3.849
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'West Sunday mine, Utah, USA'
_chemical_formula_sum            'H47.44 Mg Na4 O51.72 V10'
_chemical_name_mineral           Huemulite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.223
_cell_angle_beta                 97.383
_cell_angle_gamma                100.790
_cell_formula_units_Z            1
_cell_length_a                   9.0453
_cell_length_b                   11.3337
_cell_length_c                   11.7372
_cell_volume                     1120.298
_database_code_amcsd             0018461
_exptl_crystal_density_diffrn    2.225
_cod_original_formula_sum        'Na4 Mg V10 O51.72 H47.44'
_cod_database_code               9015679
Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous emerald
Gibbs, G. V.; Breck, D. W.; Meagher, E. P.; Lithos 1 (1968) 275–285; doi:10.1016/S0024-4937(68)80044-1

data_9015680
_publ_section_title
;
 Structural refinement of hydrous and anhydrous synthetic beryl,
 Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18
 Note: anhydrous emerald
;
_journal_name_full               Lithos
_journal_page_first              275
_journal_page_last               285
_journal_paper_doi               10.1016/S0024-4937(68)80044-1
_journal_volume                  1
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al1.9 Be3 Cr0.1 O18 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.219
_cell_length_b                   9.219
_cell_length_c                   9.198
_cell_formula_units_Z            2
_cell_volume                     677.005
_database_code_amcsd             0019468
_exptl_crystal_density_diffrn    2.649
_cod_original_formula_sum        '(Al1.9 Cr.1) Be3 Si6 O18'
_cod_database_code               9015680
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = .62, Nd.05Na1.86Nb2O6
Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.; Inorganic Materials 40 (2004) 1324–1330; doi:10.1007/s10789-005-0019-y

data_9015681
_publ_section_title
;
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: Nb2/3-x Na3x Nb2O6 synthesized at 1330 deg C
 Note: x = .62, Nd.05Na1.86Nb2O6
;
_journal_name_full               'Inorganic Materials'
_journal_page_first              1324
_journal_page_last               1330
_journal_paper_doi               10.1007/s10789-005-0019-y
_journal_volume                  40
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na1.86 Nb2 Nd0.05 O6'
_chemical_name_mineral           Lueshite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5018
_cell_length_b                   5.5598
_cell_length_c                   15.5510
_cell_formula_units_Z            4
_cell_volume                     475.688
_database_code_amcsd             0018683
_exptl_crystal_density_diffrn    4.633
_cod_original_formula_sum        'Nd.05 Na1.86 Nb2 O6'
_cod_database_code               9015681
Structure du dichromate de cadmium-potassium dihydrate. CdK2(Cr2O7)2(H2O)
Durif, A.; Averbuch-Pouchot, M. T.; Acta Crystallographica, Section B 35 (1979) 1456–1457; doi:10.1107/S0567740879006713

data_9015682
_publ_section_title
;
 Structure du dichromate de cadmium-potassium dihydrate. CdK2(Cr2O7)2(H2O)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1456
_journal_page_last               1457
_journal_paper_doi               10.1107/S0567740879006713
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'Cd Cr4 K2 O16'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.18
_cell_angle_beta                 80.55
_cell_angle_gamma                96.11
_cell_length_a                   7.999
_cell_length_b                   7.956
_cell_length_c                   6.733
_cell_formula_units_Z            1
_cell_volume                     382.188
_database_code_amcsd             0015908
_exptl_crystal_density_diffrn    2.844
_cod_duplicate_entry             1007226
_cod_database_code               9015682
_amcsd_formula_title             CdK2(Cr2O7)2(H2O)
Uranyl phosphate sheet reconstruction during dehydration of metatorbernite [Cu(UO2)2(PO4)2*8H2O] Note: This is the 6.9 Angstrom phase while heating at 173 C
Stubbs, J. E.; Post, J. E.; Elbert, D. C.; Heaney, P. J.; Veblen, D. R.; American Mineralogist 95 (2010) 1132–1140; doi:10.2138/am.2010.3439

data_9015683
_publ_section_title
;
 Uranyl phosphate sheet reconstruction during dehydration of
 metatorbernite [Cu(UO2)2(PO4)2*8H2O]
 Note: This is the 6.9 Angstrom phase while heating at 173 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1132
_journal_page_last               1140
_journal_paper_doi               10.2138/am.2010.3439
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Bois Noirs, France'
_chemical_formula_sum            'Cu0.93 H6 O15 P2 U2'
_chemical_name_mineral           Metatorbernite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.585
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.4979
_cell_length_b                   7.0159
_cell_length_c                   6.6312
_cell_volume                     642.978
_database_code_amcsd             0016813
_exptl_crystal_density_diffrn    4.355
_cod_original_cell_volume        642.979
_cod_original_formula_sum        'Cu.93 U2 P2 O15 H6'
_cod_database_code               9015683
Die Struktur von Kalium- und Ammoniumperchlorat _cod_database_code 1010612
Gottfried, C.; Schusterius, C.; Zeitschrift fur Kristallographie 84 (1932) 65–73; doi:

data_9015684
_publ_section_title
;
 Die Struktur von Kalium- und Ammoniumperchlorat
 _cod_database_code 1010612
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              65
_journal_page_last               73
_journal_volume                  84
_journal_year                    1932
_chemical_formula_sum            'Cl N O4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.202
_cell_length_b                   5.815
_cell_length_c                   7.449
_cell_formula_units_Z            4
_cell_volume                     398.593
_database_code_amcsd             0017494
_exptl_crystal_density_diffrn    1.891
_cod_duplicate_entry             1010612
_cod_original_formula_sum        'O4 Cl N'
_cod_database_code               9015684
_amcsd_formula_title             'Cl H4 N O4'
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P26, P = 55.96 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015685
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P26, P = 55.96 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.343
_cell_length_b                   4.343
_cell_length_c                   12.497
_cell_formula_units_Z            6
_cell_volume                     204.134
_database_code_amcsd             0017588
_exptl_crystal_density_diffrn    5.655
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015685
Crystal structure of (K H SO4)(K H2 P O4) _cod_database_code 1007141
Averbuch-Pouchot M; Durif, A.; Materials Research Bulletin 15 (1980) 427–430; doi:10.1016/0025-5408(80)90047-1

data_9015686
_publ_section_title
;
 Crystal structure of (K H SO4)(K H2 P O4)
 _cod_database_code 1007141
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              427
_journal_page_last               430
_journal_paper_doi               10.1016/0025-5408(80)90047-1
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'K O4 P0.5 S0.5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.56
_cell_angle_gamma                90
_cell_length_a                   7.434
_cell_length_b                   7.341
_cell_length_c                   7.148
_cell_formula_units_Z            4
_cell_volume                     384.670
_database_code_amcsd             0014284
_exptl_crystal_density_diffrn    2.324
_cod_duplicate_entry             1007141
_cod_original_formula_sum        'K (S.5 P.5) O4'
_cod_database_code               9015686
_amcsd_formula_title             'H3 K2 O8 P S'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015687
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.494
_cell_length_b                   3.494
_cell_length_c                   3.494
_cell_formula_units_Z            4
_cell_volume                     42.655
_database_code_amcsd             0019420
_exptl_crystal_density_diffrn    8.696
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015687
Etude comparative des structures Mx W O3 de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes Inx W O3 (x equals a number between 0.12 and 0.33)
Labbe, P. H.; Goreaud, M.; Raveau, B.; Monier, J. C.; Acta Crystallographica, Section B 35 (1979) 1557–1564; doi:10.1107/S0567740879007123

data_9015688
_publ_section_title
;
 Etude comparative des structures Mx W O3 de type bronze hexagonal.
 II. Evolution structurale dans la serie des bronzes Inx W O3
 (x equals a number between 0.12 and 0.33)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1557
_journal_page_last               1564
_journal_paper_doi               10.1107/S0567740879007123
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'In0.648 O9 W3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3883
_cell_length_b                   7.3883
_cell_length_c                   7.5065
_cell_formula_units_Z            2
_cell_volume                     354.860
_database_code_amcsd             0009678
_exptl_crystal_density_diffrn    7.206
_cod_duplicate_entry             1001042
_cod_original_formula_sum        'W3 O9 In.648'
_cod_database_code               9015688
_amcsd_formula_title             'In0.21 O3 W'
The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 100 K
Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G.; The Canadian Mineralogist 49 (2011) 1267–1272; doi:10.3749/canmin.49.5.1267

data_9015689
_publ_section_title
;
 The crystal structure of cavansite: location of the H2O molecules and
 hydrogen atoms in Ca(VO)(Si4O10)*4H2O
 Note: T = 100 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1267
_journal_page_last               1272
_journal_paper_doi               10.3749/canmin.49.5.1267
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Pune, India'
_chemical_formula_sum            'Ca H8 O15 Si4 V'
_chemical_name_mineral           Cavansite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7518
_cell_length_b                   13.6854
_cell_length_c                   9.5965
_cell_volume                     1280.723
_database_code_amcsd             0018620
_exptl_crystal_density_diffrn    2.341
_cod_original_formula_sum        'V Ca Si4 O15 H8'
_cod_database_code               9015689
A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K
Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J.; American Mineralogist 97 (2012) 1574–1581; doi:10.2138/am.2012.4069

data_9015690
_publ_section_title
;
 A multi-domain gem-grade Brazilian apatite
 Note: single-crystal X-ray at T = 100 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1574
_journal_page_last               1581
_journal_paper_doi               10.2138/am.2012.4069
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Ipira, Bahia Province, Brazil'
_chemical_formula_sum
'Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09'
_chemical_name_mineral           Fluorapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.3687
_cell_length_b                   9.3687
_cell_length_c                   6.8739
_cell_volume                     522.507
_database_code_amcsd             0019532
_exptl_crystal_density_diffrn    3.205
_cod_original_formula_sum
'Ca4.974 Na.026 (P2.844 Si.09 S.066) O12.18 F.76 Cl.06 H.18'
_cod_database_code               9015690