LMucko/crystallography-open-database huggingface dataset:
Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
Andrade, M. B.; Atencio, D.; Chukanov, N. V.; Ellena, J.; American Mineralogist 98 (2013) 292–296; doi:10.2138/am.2013.4186

data_9014793
_publ_section_title
;
 Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral
 from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil
;
_journal_name_full               'American Mineralogist'
_journal_page_first              292
_journal_page_last               296
_journal_paper_doi               10.2138/am.2013.4186
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil'
_chemical_formula_sum
'Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2'
_chemical_name_mineral           Hydrokenomicrolite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.454
_cell_length_b                   10.454
_cell_length_c                   10.454
_cell_volume                     1142.477
_database_code_amcsd             0019783
_exptl_crystal_density_diffrn    8.210
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Ba.66 Sr.54 U.2 Ce.04 La.04 Mn.04 Nd.04 Bi.02 Ca.02 Pb.02 (Ta1.75 Nb.1 Sn.1 Si.04 Ti.01) O8.92 Cs.03 H6.068'
_cod_database_code               9014793
_cell_formula_units_Z 8
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .16
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_9014794
_publ_section_title
;
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = .16
;
_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            'La0.52 Na0.48 Nb2 O6'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.921
_cell_length_b                   3.923
_cell_length_c                   7.8651
_cell_formula_units_Z            1
_cell_volume                     120.982
_database_code_amcsd             0018676
_exptl_crystal_density_diffrn    5.011
_cod_original_formula_sum        '(La.52 Na.48) Nb2 O6'
_cod_database_code               9014794
_amcsd_formula_title             La.5Na.5Nb2O6
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L18, disordered 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_9014795
_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: L18, disordered 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
'Al7.335 B3 Ca0.688 F0.729 Fe0.03 H3.27 Li1.596 Mn0.033 Na0.239 O30.27 Pb0.009 Si6 Ti0.003'
_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                   15.8293
_cell_length_b                   15.8293
_cell_length_c                   7.1003
_cell_formula_units_Z            3
_cell_volume                     1540.745
_database_code_amcsd             0018431
_exptl_crystal_density_diffrn    3.071
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.688 Na.239 Pb.009 Ti.003 Al7.335 Fe.03 Mn.033 Li1.596 Si6 B3 F.729 O30.27 H3.27'
_cod_database_code               9014795
The Configuration of the Triiodide Group in Ammonium Triiodide Crystals. _cod_database_code 1010243
Mooney, R.; Zeitschrift fur Kristallographie 90 (1935) 143–150; doi:

data_9014796
_publ_section_title
;
 The Configuration of the Triiodide Group in Ammonium Triiodide Crystals.
 _cod_database_code 1010243
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              143
_journal_page_last               150
_journal_volume                  90
_journal_year                    1935
_chemical_formula_sum            'I3 N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.64
_cell_length_b                   9.66
_cell_length_c                   10.82
_cell_formula_units_Z            4
_cell_volume                     694.021
_database_code_amcsd             0017179
_exptl_crystal_density_diffrn    3.778
_cod_duplicate_entry             1010243
_cod_database_code               9014796
_amcsd_formula_title             'H4 I3 N'
Thermoelectric properties of indium-filled skutterudites
He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.; Chemistry of Materials 18 (2006) 759–762; doi:10.1021/cm052055b

data_9014797
_publ_section_title
;
 Thermoelectric properties of indium-filled skutterudites
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              759
_journal_page_last               762
_journal_paper_doi               10.1021/cm052055b
_journal_volume                  18
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Co4 In0.2 Sb12'
_chemical_name_mineral           Kieftite
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.05294
_cell_length_b                   9.05294
_cell_length_c                   9.05294
_cell_formula_units_Z            2
_cell_volume                     741.940
_database_code_amcsd             0017605
_exptl_crystal_density_diffrn    7.698
_cod_original_sg_symbol_H-M      'I m 3'
_cod_original_formula_sum        'Co4 Sb12 In.2'
_cod_database_code               9014797
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654
Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.; The Canadian Mineralogist 49 (2011) 1065–1078; doi:10.3749/canmin.49.4.1065

data_9014798
_publ_section_title
;
 Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
 and its structural relationship with whitlockite-type compounds
 Sample number R070654
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1065
_journal_page_last               1078
_journal_paper_doi               10.3749/canmin.49.4.1065
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Tip Top mine, South Dakota, USA'
_chemical_formula_sum            'Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97'
_chemical_name_mineral           Bobdownsite
_space_group_IT_number           161
_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_formula_units_Z            6
_cell_length_a                   10.3394
_cell_length_b                   10.3394
_cell_length_c                   37.0836
_cell_volume                     3433.232
_database_code_amcsd             0018922
_exptl_crystal_density_diffrn    3.052
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Ca9 (Mg.96 Al.04) P6.97 O27.16 (F.84 H.16)'
_cod_database_code               9014798
Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec
Rowe, R.; Grice, J. D.; Poirier, G.; Stanley, C. J.; Horvath, L.; The Canadian Mineralogist 49 (2011) 651–656; doi:10.3749/canmin.49.2.651

data_9014799
_publ_section_title
;
 Nisnite, Ni3Sn, a new nickel mineral species from the Jeffrey mine, Asbestos, Quebec
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              651
_journal_page_last               656
_journal_paper_doi               10.3749/canmin.49.2.651
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Jeffrey mine, Asbestos, Quebec, Canada'
_chemical_formula_sum            'Ni3 Sn'
_chemical_name_mineral           Nisnite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7349
_cell_length_b                   3.7349
_cell_length_c                   3.7349
_cell_formula_units_Z            1
_cell_volume                     52.100
_database_code_amcsd             0018385
_exptl_crystal_density_diffrn    9.395
_cod_original_sg_symbol_H-M      'P 4/m -3 2/m'
_cod_database_code               9014799
High-pressure study of a natural cancrinite Note: P = 3.59 GPa
Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.; American Mineralogist 97 (2012) 872–882; doi:10.2138/am.2012.4039

data_9014800
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 3.59 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              872
_journal_page_last               882
_journal_paper_doi               10.2138/am.2012.4039
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Cameroun
_chemical_formula_sum            'C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3'
_chemical_name_mineral           Cancrinite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.386
_cell_length_b                   12.386
_cell_length_c                   4.954
_cell_volume                     658.186
_database_code_amcsd             0019030
_exptl_crystal_density_diffrn    2.657
_cod_original_formula_sum        'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cod_database_code               9014800
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 3.65 GPa
Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.; American Mineralogist 95 (2010) 1042–1051; doi:10.2138/am.2010.3429

data_9014801
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: DL5 P = 3.65 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1051
_journal_paper_doi               10.2138/am.2010.3429
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'an alkaline basalt of Deadman Lake Volcanic Area, USA'
_chemical_formula_sum            'Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8'
_chemical_name_mineral           Kaersutite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.76
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.737
_cell_length_b                   17.873
_cell_length_c                   5.264
_cell_volume                     881.653
_database_code_amcsd             0005069
_exptl_crystal_density_diffrn    3.358
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Si8 Mg3.19 Fe1.91 Ca1.88 K.54 O24 H2'
_cod_database_code               9014801
The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976
Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N.; Geology of Ore Deposits 51 (2009) 656–662; doi:10.1134/S1075701509070149

data_9014802
_publ_section_title
;
 The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4
 Kamchatka Peninsula, Russia, 1975-1976
;
_journal_name_full               'Geology of Ore Deposits'
_journal_page_first              656
_journal_page_last               662
_journal_paper_doi               10.1134/S1075701509070149
_journal_volume                  51
_journal_year                    2009
_chemical_compound_source        'Great Tolbachik Fissure Eruption,'
_chemical_formula_sum            'Al0.64 Cu3 Fe0.36 K3 O18 S4'
_chemical_name_mineral           Alumoklyuchevskite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.66
_cell_angle_gamma                90
_cell_length_a                   18.772
_cell_length_b                   4.967
_cell_length_c                   18.468
_cell_formula_units_Z            4
_cell_volume                     1686.432
_database_code_amcsd             0017777
_exptl_crystal_density_diffrn    2.999
_cod_original_formula_sum        'K3 Cu3 (Al.64 Fe.36) S4 O18'
_cod_database_code               9014802
Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: combined X-ray and Neutron diffraction
Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.; Zeitschrift fur Anorganische und Allgemeine Chemie 624 (1998) 1130–1136; doi:10.1002/(SICI)1521-3749(199807)624:7<1130::AID-ZAAC1130>3.0.CO;2-G

data_9014803
_publ_section_title
;
 Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2
 und epsilon-Zn(OH)2
 Note: combined X-ray and Neutron diffraction
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              1130
_journal_page_last               1136
_journal_paper_doi
10.1002/(SICI)1521-3749(199807)624:7<1130::AID-ZAAC1130>3.0.CO;2-G
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Be H2 O2'
_chemical_name_mineral           Behoite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.5328
_cell_length_b                   4.6252
_cell_length_c                   7.0379
_cell_formula_units_Z            4
_cell_volume                     147.550
_database_code_amcsd             0018271
_exptl_crystal_density_diffrn    1.937
_cod_original_formula_sum        'Be O2 H2'
_cod_database_code               9014803
The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group _cod_database_code 1010100
Hampson, G.; Pauling, L.; Journal of the American Chemical Society 60 (1938) 2702–2707; doi:10.1021/ja01278a046

data_9014804
_publ_section_title
;
 The Structure of Ammonium Heptafluozirconate and Potassium
 Heptafluozirconate and the Configuration of the Heptafluozirconate Group
 _cod_database_code 1010100
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2702
_journal_page_last               2707
_journal_paper_doi               10.1021/ja01278a046
_journal_volume                  60
_journal_year                    1938
_chemical_formula_sum            'F0.875 K0.375 Zr0.125'
_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                   8.951
_cell_length_b                   8.951
_cell_length_c                   8.951
_cell_formula_units_Z            32
_cell_volume                     717.158
_database_code_amcsd             0017033
_exptl_crystal_density_diffrn    3.163
_cod_duplicate_entry             1010100
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K.375 Zr.125 F.875'
_cod_database_code               9014804
_amcsd_formula_title             'F7 K3 Zr'
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 200 K
Knight, K. S.; Henderson, C. M. B.; European Journal of Mineralogy 19 (2007) 189–200; doi:10.1127/0935-1221/2007/0019-1711

data_9014805
_publ_section_title
;
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 200 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               200
_journal_paper_doi               10.1127/0935-1221/2007/0019-1711
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba0.5 Cu O10 Si4 Sr0.5'
_chemical_name_mineral           Wesselsite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.39447
_cell_length_b                   7.39447
_cell_length_c                   15.8534
_cell_formula_units_Z            4
_cell_volume                     866.835
_database_code_amcsd             0007212
_exptl_crystal_density_diffrn    3.436
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.5 Sr.5) Cu Si4 O10'
_cod_database_code               9014805
_cod_duplicate_entry 9014581
Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium cyclo-hexaphosphate henicosahydrate _cod_database_code 1008496
Bagieu-Bacher M; Averbuch-Pouchot M; Rzaigui, M.; Acta Crystallographica, Section C 47 (1991) 1364–1366; doi:10.1107/S0108270191001397

data_9014806
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates.XVII.Structure of chromium
 cyclo-hexaphosphate henicosahydrate
 _cod_database_code 1008496
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1364
_journal_page_last               1366
_journal_paper_doi               10.1107/S0108270191001397
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Cr2 H33 O39 P6'
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.052
_cell_length_b                   19.052
_cell_length_c                   19.052
_cell_formula_units_Z            8
_cell_volume                     6915.470
_database_code_amcsd             0016389
_exptl_crystal_density_diffrn    1.819
_cod_duplicate_entry             1008496
_cod_original_formula_sum        'Cr2 P6 O39 H33'
_cod_database_code               9014806
_amcsd_formula_title             'Cr2 H42 O39 P6'
Cation-site location in a natural chabazite
Calligaris, M.; Nardin, G.; Randaccio, L.; Acta Crystallographica, Section B 38 (1982) 602–605; doi:10.1107/S0567740882003483

data_9014807
_publ_section_title
;
 Cation-site location in a natural chabazite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              602
_journal_page_last               605
_journal_paper_doi               10.1107/S0567740882003483
_journal_volume                  38
_journal_year                    1982
_chemical_compound_source        'Northeast Azerbaijan'
_chemical_formula_sum            'Al3.804 Ca1.359 H15.36 O31.68 Si8.304 Sr0.291'
_chemical_name_mineral           Chabazite-Ca
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.20
_cell_angle_beta                 94.20
_cell_angle_gamma                94.20
_cell_formula_units_Z            1
_cell_length_a                   9.421
_cell_length_b                   9.421
_cell_length_c                   9.421
_cell_volume                     829.077
_database_code_amcsd             0017693
_exptl_crystal_density_diffrn    1.879
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca1.359 Sr.291 Al3.804 Si8.304 O31.68 H15.36'
_cod_database_code               9014807
Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions
Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E.; American Mineralogist 95 (2010) 1–10; doi:10.2138/am.2010.3283

data_9014808
_publ_section_title
;
 Metamorphic ultrahigh-pressure tourmaline: structure,
 chemistry, and correlations to P-T conditions
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.2138/am.2010.3283
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Lago di Cignana, Western Alps, Italy'
_chemical_formula_sum
'Al5.805 B3 Ca0.09 F0.35 Fe0.48 H3.65 K0.01 Mg2.643 Mn0.06 Na0.84 Ni0.021 O30.65 Si5.982 Ti0.021 Zn0.009'
_chemical_name_mineral           Dravite
_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_formula_units_Z            3
_cell_length_a                   15.945
_cell_length_b                   15.945
_cell_length_c                   7.210
_cell_volume                     1587.504
_database_code_amcsd             0004997
_exptl_crystal_density_diffrn    3.070
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.84 Ca.09 K.01 Mg2.643 Al5.805 Fe.48 Mn.06 Ti.021 Ni.021 Zn.009 Si5.982 B3 O30.65 F.35 H3.65'
_cod_database_code               9014808