LMucko/crystallography-open-database huggingface dataset:
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample G405
Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.; Mineralogical Magazine 78 (2014) 293–310; doi:

data_9017647
_publ_section_title
;
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample G405
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              293
_journal_page_last               310
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Franklin Quarry, Franklin, New Jersey, USA'
_chemical_formula_sum
'Al1.56 Ca1.97 Cl0.01 F1.46 Fe0.2 H0.53 K0.2 Mg4.38 Na0.74 O22.53 Si6.8 Ti0.01 Zn0.01'
_chemical_name_mineral           Fluoro-edenite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.16
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.866
_cell_length_b                   17.987
_cell_length_c                   5.2817
_cell_volume                     904.671
_database_code_amcsd             0020433
_exptl_crystal_density_diffrn    3.101
_cod_data_source_file            inputs/fixed/downloads/18/18554.cif
_cod_data_source_block           18554
_cod_original_formula_sum
'Na.74 K.2 Mg4.38 Al1.56 Ti.01 Zn.01 Fe.2 Ca1.97 Si6.8 O22.53 F1.46 Cl.01 H.53'
_cod_database_code               9017647
Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47) Note: T = 300 C
Tribaudino, M.; Mantovani, L.; Mineralogical Magazine 78 (2014) 311–324; doi:

data_9017648
_publ_section_title
;
 Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural
 data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47)
 Note: T = 300 C
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              311
_journal_page_last               324
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.53 Ca0.47 Fe0.47 Na0.53 O6 Si2'
_chemical_name_mineral           Jadeite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.67
_cell_angle_gamma                90
_cell_length_a                   9.616
_cell_length_b                   8.804
_cell_length_c                   5.274
_cell_formula_units_Z            4
_cell_volume                     427.728
_database_code_amcsd             0020439
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    3.474
_cod_data_source_file            inputs/fixed/downloads/18/18555.cif
_cod_data_source_block           18555
_cod_original_formula_sum        '(Na.53 Ca.47) (Al.53 Fe.47) Si2 O6'
_cod_database_code               9017648
Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47) Note: T = 700 C
Tribaudino, M.; Mantovani, L.; Mineralogical Magazine 78 (2014) 311–324; doi:

data_9017649
_publ_section_title
;
 Thermal expansion in C2/c pyroxenes: a review and new high-temperature structural
 data for a pyroxene of composition (Na0.53Ca0.47)(Al0.53Fe0.47)Si2O6 (Jd53Hd47)
 Note: T = 700 C
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              311
_journal_page_last               324
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.53 Ca0.47 Fe0.47 Na0.53 O6 Si2'
_chemical_name_mineral           Jadeite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.76
_cell_angle_gamma                90
_cell_length_a                   9.653
_cell_length_b                   8.858
_cell_length_c                   5.288
_cell_formula_units_Z            4
_cell_volume                     432.950
_database_code_amcsd             0020440
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.432
_cod_data_source_file            inputs/fixed/downloads/18/18556.cif
_cod_data_source_block           18556
_cod_original_formula_sum        '(Na.53 Ca.47) (Al.53 Fe.47) Si2 O6'
_cod_database_code               9017649
The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O, solved ab initio from laboratory powder diffraction data
Colombo, F.; Rius, J.; Vallcorba, O.; Pannunzio Miner, E. V.; Mineralogical Magazine 78 (2014) 347–360; doi:

data_9017650
_publ_section_title
;
 The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O,
 solved ab initio from laboratory powder diffraction data
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              347
_journal_page_last               360
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Santa Elena mine, San Juan Province, Argentina'
_chemical_formula_sum            'As Fe2 H11 O14 S'
_chemical_name_mineral           Sarmientite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.444
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5298
_cell_length_b                   18.5228
_cell_length_c                   9.6344
_cell_volume                     1155.461
_database_code_amcsd             0020437
_exptl_crystal_density_diffrn    2.608
_cod_data_source_file            inputs/fixed/downloads/18/18557.cif
_cod_data_source_block           18557
_cod_original_formula_sum        'Fe2 As S O14 H11'
_cod_database_code               9017650
Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self- similar series of structures for the lower mantle and transition zone
Guignard, J.; Crichton, W. A.; Mineralogical Magazine 78 (2014) 361–371; doi:

data_9017651
_publ_section_title
;
 Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self-
 similar series of structures for the lower mantle and transition zone
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              361
_journal_page_last               371
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4 O5'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8964
_cell_length_b                   9.8225
_cell_length_c                   12.5808
_cell_formula_units_Z            4
_cell_volume                     357.922
_database_code_amcsd             0020436
_exptl_crystal_density_diffrn    5.630
_cod_data_source_file            inputs/fixed/downloads/18/18558.cif
_cod_data_source_block           18558
_cod_database_code               9017651
_amcsd_formula_title             Fe4O5
Kihlmanite-(Ce), Ce2TiO2[SiO4](HCO3)2(H2O), a new rare-earth mineral from the pegmatites of the Khibiny alkaline massif, Kola Peninsula, Russia
Yakovenchuk, V. N.; Krivovichev, S. V.; Ivanyuk, G. Y.; Pakhomovsky, Y. A.; Selivanova, E. A.; Zhitova, E. A.; Kalashnikova, G. O.; Zolotarev, A. A.; Mikhailova, J. A.; Kadyrova, G. I.; Mineralogical Magazine 78 (2014) 483–496; doi:

data_9017652
_publ_section_title
;
 Kihlmanite-(Ce), Ce2TiO2[SiO4](HCO3)2(H2O), a new rare-earth mineral from
 the pegmatites of the Khibiny alkaline massif, Kola Peninsula, Russia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Khibiny alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum            'C4 H3.36 Ca0.62 Ce4 Nb0.48 O25.68 Si2 Ti1.52'
_chemical_name_mineral           Kihlmanite-(Ce)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.061
_cell_angle_beta                 91.006
_cell_angle_gamma                109.285
_cell_formula_units_Z            1
_cell_length_a                   5.009
_cell_length_b                   7.533
_cell_length_c                   15.407
_cell_volume                     531.839
_database_code_amcsd             0020209
_exptl_crystal_density_diffrn    3.813
_cod_data_source_file            inputs/fixed/downloads/18/18559.cif
_cod_data_source_block           18559
_cod_original_formula_sum        'Ce4 (Ti1.52 Nb.48) Si2 O25.68 C4 Ca.62 H3.36'
_cod_database_code               9017652
Nestolaite, CaSeO3*H2O, a new mineral from the Little Eva mine, Grand County, Utah, USA
Kasatkin, A. V.; Plasil, J.; Marty, J.; Agakhanov, A. A.; Belakovskiy, D. I.; Lykova, I. S.; Mineralogical Magazine 78 (2014) 497–505; doi:

data_9017653
_publ_section_title
;
 Nestolaite, CaSeO3*H2O, a new mineral from the Little Eva mine, Grand County, Utah, USA
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              497
_journal_page_last               505
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Little Eva mine, Grand County, Utah, USA'
_chemical_formula_sum            'Ca H2 O4 Se'
_chemical_name_mineral           Nestolaite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.542
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6502
_cell_length_b                   6.7473
_cell_length_c                   7.9358
_cell_volume                     388.368
_database_code_amcsd             0020621
_exptl_crystal_density_diffrn    3.165
_cod_data_source_file            inputs/fixed/downloads/18/18560.cif
_cod_data_source_block           18560
_cod_original_formula_sum        'Ca Se O4 H2'
_cod_database_code               9017653
Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile: Single-crystal X-ray diffraction and vibrational spectroscopic study
Plasil, J.; Skoda, R.; Fejfarova, K.; Cejka, J.; Kasatkin, A. V.; Dusek, M.; Talla, D.; Lapcak, L.; Machovic, V.; Dini, M.; Mineralogical Magazine 78 (2014) 535–547; doi:

data_9017654
_publ_section_title
;
 Hydroniumjarosite, (H3O)+Fe3(SO4)2(OH)6, from Cerros Pintados, Chile:
 Single-crystal X-ray diffraction and vibrational spectroscopic study
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              535
_journal_page_last               547
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Cerros Pintados, Iquique Province, Chile'
_chemical_formula_sum
'Al0.03 Fe2.949 H14.31 K0.02 Na0.2 O14.77 S1.97 Si0.03'
_chemical_name_mineral           Hydroniumjarosite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   7.3408
_cell_length_b                   7.3408
_cell_length_c                   17.0451
_cell_formula_units_Z            3
_cell_volume                     795.457
_database_code_amcsd             0020230
_exptl_crystal_density_diffrn    3.041
_cod_data_source_file            inputs/fixed/downloads/18/18561.cif
_cod_data_source_block           18561
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum
'H14.31 O14.77 Na.2 K.02 Fe2.949 Al.03 (S1.97 Si.03)'
_cod_database_code               9017654
Tangdanite, a new mineral species from the Yunnan Province, China and the discreditation of 'clinotyrolite'
Ma, Z.; Li, G.; Chukanov, N. V.; Poirier, G.; Shi, N.; Mineralogical Magazine 78 (2014) 559–569; doi:

data_9017655
_publ_section_title
;
 Tangdanite, a new mineral species from the Yunnan Province, China
 and the discreditation of 'clinotyrolite'
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              559
_journal_page_last               569
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Nanniping mine, Dongchuan district, Yunnan Province, China'
_chemical_formula_sum            'As4 Ca2 Cu9 H24.96 O37.18 S0.52'
_chemical_name_mineral           Tangdanite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.294
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   54.490
_cell_length_b                   5.5685
_cell_length_c                   10.4690
_cell_volume                     3157.436
_database_code_amcsd             0020184
_exptl_crystal_density_diffrn    3.342
_cod_data_source_file            inputs/fixed/downloads/18/18562.cif
_cod_data_source_block           18562
_cod_original_formula_sum        'Ca2 Cu9 As4 S.52 O37.18 H24.96'
_cod_database_code               9017655
Vapnikite Ca3UO6 - a new double-perovskite mineral from pyrometamorphic larnite rocks of the Jabel Harum, Palestinian Autonomy, Israel
Galuskin, E. V.; Galuskina, I. O.; Kusz, J.; Armbruster, T.; Marzec, K. M.; Dzierzanowski, P.; Murashko, M.; Mineralogical Magazine 78 (2014) 571–581; doi:

data_9017656
_publ_section_title
;
 Vapnikite Ca3UO6 - a new double-perovskite mineral from pyrometamorphic larnite
 rocks of the Jabel Harum, Palestinian Autonomy, Israel
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              571
_journal_page_last               581
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Hatrurim Formation, Israel'
_chemical_formula_sum            'Ca0.761 O1.5 U0.239'
_chemical_name_mineral           Vapnikite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.4
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.739
_cell_length_b                   5.951
_cell_length_c                   8.312
_cell_volume                     283.871
_database_code_amcsd             0020159
_exptl_crystal_density_diffrn    5.213
_cod_data_source_file            inputs/fixed/downloads/18/18563.cif
_cod_data_source_block           18563
_cod_original_formula_sum        'Ca.761 U.239 O1.5'
_cod_database_code               9017656
Tondiite, Cu3Mg(OH)6Cl2, the Mg-analogue of herbertsmithite Note: Sample IIa
Malcherek, T.; Bindi, L.; Dini, M.; Ghiara, M. R.; Molina Donoso, A.; Nestola, F.; Rossi, M.; Schluter, J.; Mineralogical Magazine 78 (2014) 583–590; doi:

data_9017657
_publ_section_title
;
 Tondiite, Cu3Mg(OH)6Cl2, the Mg-analogue of herbertsmithite
 Note: Sample IIa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              583
_journal_page_last               590
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Santo Domingo mine, Arica Province, Chile'
_chemical_formula_sum            'Cl2 Cu3.296 H6 Mg0.704 O6'
_chemical_name_mineral           Tondiite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   6.8345
_cell_length_b                   6.8345
_cell_length_c                   14.0022
_cell_formula_units_Z            3
_cell_volume                     566.422
_database_code_amcsd             0020438
_exptl_crystal_density_diffrn    3.514
_cod_data_source_file            inputs/fixed/downloads/18/18564.cif
_cod_data_source_block           18564
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Cu3.296 Mg.704 Cl2 O6 H6'
_cod_database_code               9017657
Franconite, NaNb2O5(OH)*3H2O: structure determination and the role of H bonding, with comments on the crystal chemistry of franconite-related minerals
Haring, M. M. M.; McDonald, A. M.; Mineralogical Magazine 78 (2014) 591–607; doi:

data_9017658
_publ_section_title
;
 Franconite, NaNb2O5(OH)*3H2O: structure determination and the role of H bonding,
 with comments on the crystal chemistry of franconite-related minerals
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              591
_journal_page_last               607
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Poudrette quarry, Quebec, Canada'
_chemical_formula_sum
'Al0.01 Ca0.13 H7 Na0.73 Nb1.96 O9 Si0.02 Ti0.02'
_chemical_name_mineral           Franconite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.91
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.119
_cell_length_b                   6.436
_cell_length_c                   12.682
_cell_volume                     813.603
_database_code_amcsd             0020435
_exptl_crystal_density_diffrn    2.914
_cod_data_source_file            inputs/fixed/downloads/18/18565.cif
_cod_data_source_block           18565
_cod_original_formula_sum        'Na.73 Ca.13 Nb1.96 Ti.02 Si.02 Al.01 O9 H7'
_cod_database_code               9017658
Belakovskiite, Na7(UO2)(SO4)4(SO3OH)(H2O)3, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA
Kampf, A. R.; Plasil, J.; Kasatkin, A. V.; Marty, J.; Mineralogical Magazine 78 (2014) 639–649; doi:

data_9017659
_publ_section_title
;
 Belakovskiite, Na7(UO2)(SO4)4(SO3OH)(H2O)3, a new uranyl sulfate mineral from
 the Blue Lizard mine, San Juan County, Utah, USA
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              639
_journal_page_last               649
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Blue Lizard mine, San Juan County, Utah, USA'
_chemical_formula_sum            'H14 Na14 O50 S10 U2'
_chemical_name_mineral           Belakovskiite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.786
_cell_angle_beta                 90.092
_cell_angle_gamma                96.767
_cell_formula_units_Z            1
_cell_length_a                   5.4581
_cell_length_b                   11.3288
_cell_length_c                   18.4163
_cell_volume                     1092.774
_database_code_amcsd             0020475
_exptl_crystal_density_diffrn    2.937
_cod_data_source_file            inputs/fixed/downloads/18/18566.cif
_cod_data_source_block           18566
_cod_original_formula_sum        'U2 S10 Na14 O50 H14'
_cod_database_code               9017659
First accurate location of two proton sites in tourmaline: A single-crystal neutron diffraction study of oxy-dravite Note: H1 site on the three-fold axis
Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Skogby, H.; Mineralogical Magazine 78 (2014) 681–692; doi:

data_9017660
_publ_section_title
;
 First accurate location of two proton sites in tourmaline: A single-crystal
 neutron diffraction study of oxy-dravite
 Note: H1 site on the three-fold axis
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              681
_journal_page_last               692
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Osarara, Narok District, Kenya'
_chemical_formula_sum
'Al6.624 B3 Fe0.6 H3.194 Mg1.776 Na0.866 O31 Si6'
_chemical_name_mineral           Oxy-dravite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_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                   15.9272
_cell_length_b                   15.9272
_cell_length_c                   7.2001
_cell_formula_units_Z            3
_cell_volume                     1581.787
_database_code_amcsd             0020483
_exptl_crystal_density_diffrn    3.072
_cod_data_source_file            inputs/fixed/downloads/18/18567.cif
_cod_data_source_block           18567
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.866 Al6.624 Mg1.776 Fe.6 B3 Si6 O31 H3.194'
_cod_database_code               9017660
First accurate location of two proton sites in tourmaline: A single-crystal neutron diffraction study of oxy-dravite Note: H1 site off the three-fold axis
Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Skogby, H.; Mineralogical Magazine 78 (2014) 681–692; doi:

data_9017661
_publ_section_title
;
 First accurate location of two proton sites in tourmaline: A single-crystal
 neutron diffraction study of oxy-dravite
 Note: H1 site off the three-fold axis
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              681
_journal_page_last               692
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Osarara, Narok District, Kenya'
_chemical_formula_sum
'Al6.537 B3 Fe0.6 H3.165 Mg1.863 Na0.873 O31 Si6'
_chemical_name_mineral           Oxy-dravite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_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                   15.9272
_cell_length_b                   15.9272
_cell_length_c                   7.2001
_cell_formula_units_Z            3
_cell_volume                     1581.787
_database_code_amcsd             0020484
_exptl_crystal_density_diffrn    3.072
_cod_data_source_file            inputs/fixed/downloads/18/18568.cif
_cod_data_source_block           18568
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.873 Al6.537 Mg1.863 Fe.6 B3 Si6 O31 H3.165'
_cod_database_code               9017661