LMucko/crystallography-open-database huggingface dataset:
X-ray single-crystal and optical spectroscopic study of chromian pumpellyite from Sarany, Urals, Russia
Nagashima, M.; Akasaka, M.; Ikeda, K.; Kyono, A.; Makino, K.; Journal of Mineralogical and Petrological Sciences 105 (2010) 187–193; doi:10.2465/jmps.090717b

data_9015491
_publ_section_title
;
 X-ray single-crystal and optical spectroscopic study of chromian pumpellyite
 from Sarany, Urals, Russia
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              187
_journal_page_last               193
_journal_paper_doi               10.2465/jmps.090717b
_journal_volume                  105
_journal_year                    2010
_chemical_compound_source        'Sarany, Ural Mountains, Russia'
_chemical_formula_sum            'Al1.686 Ca2 Cr0.824 H4 Mg0.49 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Mg)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.44
_cell_angle_gamma                90
_cell_length_a                   8.807
_cell_length_b                   5.943
_cell_length_c                   19.18
_cell_formula_units_Z            4
_cell_volume                     995.430
_database_code_amcsd             0018298
_exptl_crystal_density_diffrn    3.287
_cod_original_formula_sum        'Ca2 Mg.49 Cr.824 Al1.686 Si3 O14 H4'
_cod_database_code               9015491
A 2212 bismuth cuprate with a non-modulated structure Bi2-xLaxBa2.5La0.5Cu2O8.25 _cod_database_code 1001585
Hervieu, M.; Pham, A.; Michel, C.; Raveau, B.; Physica C 209 (1993) 449–455; doi:

data_9015492
_publ_section_title
;
 A 2212 bismuth cuprate with a non-modulated structure
 Bi2-xLaxBa2.5La0.5Cu2O8.25
 _cod_database_code 1001585
;
_journal_name_full               'Physica C'
_journal_page_first              449
_journal_page_last               455
_journal_volume                  209
_journal_year                    1993
_chemical_formula_sum            'Ba2.5 Bi1.59 Cu2 La0.91 O8'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.938
_cell_length_b                   3.938
_cell_length_c                   31.213
_cell_formula_units_Z            2
_cell_volume                     484.046
_database_code_amcsd             0015046
_exptl_crystal_density_diffrn    7.253
_cod_duplicate_entry             1001585
_cod_original_formula_sum        'Bi1.59 La.91 Ba2.5 Cu2 O8'
_cod_database_code               9015492
_amcsd_formula_title             'Ba2.5 Bi1.59 Cu2 La0.91 O8.25'
Crystal structure and magnetic study of a new iron(III) phosphate, Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O _cod_database_code 1000351
Loiseau, T.; Lacorre, P.; Calage, Y.; Greneche, J.; Ferey, G.; Journal of Solid State Chemistry 105 (1993) 417–427; doi:10.1006/jssc.1993.1234

data_9015493
_publ_section_title
;
 Crystal structure and magnetic study of a new iron(III) phosphate,
 Fe1.21PO4X (X=F,OH,H2O), isostructural with 3MgSO4*Mg(OH)2*H2O
 _cod_database_code 1000351
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              417
_journal_page_last               427
_journal_paper_doi               10.1006/jssc.1993.1234
_journal_volume                  105
_journal_year                    1993
_chemical_formula_sum            'F0.45 Fe1.212 O4.55 P'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.184
_cell_length_b                   5.184
_cell_length_c                   13.040
_cell_formula_units_Z            4
_cell_volume                     350.435
_database_code_amcsd             0013783
_exptl_crystal_density_diffrn    3.412
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Fe1.212 P O4.55 F.45'
_cod_database_code               9015493
_amcsd_formula_title             'Fe1.21PO4X (X=F,OH,H2O)'
Crystal structure of volborthite Cu3(OH)2V2O7*2H2O
Kashaev, A. A.; Bakakin, V. V.; Doklady Akademii Nauk SSSR 181 (1968) 967–969; doi:

data_9015494
_publ_section_title
;
 Crystal structure of volborthite Cu3(OH)2V2O7*2H2O
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              967
_journal_page_last               969
_journal_volume                  181
_journal_year                    1968
_chemical_formula_sum            'Cu3 H6 O11 V2'
_chemical_name_mineral           Volborthite
_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
_cell_angle_beta                 95.08
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.60
_cell_length_b                   5.86
_cell_length_c                   7.21
_cell_volume                     446.097
_database_code_amcsd             0018666
_exptl_crystal_density_diffrn    3.533
_cod_original_formula_sum        'Cu3 V2 O11 H6'
_cod_database_code               9015494
Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium cyclo-hexaphosphate octahydrate _cod_database_code 1007199
Rzaigui, M.; Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 48 (1992) 241–243; doi:10.1107/S0108270191010260

data_9015495
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. XIX. Structure of barium
 cyclo-hexaphosphate octahydrate
 _cod_database_code 1007199
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              241
_journal_page_last               243
_journal_paper_doi               10.1107/S0108270191010260
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba3 O26 P6'
_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                 119.56
_cell_angle_gamma                90
_cell_length_a                   20.98
_cell_length_b                   7.227
_cell_length_c                   17.44
_cell_formula_units_Z            4
_cell_volume                     2300.113
_database_code_amcsd             0010270
_exptl_crystal_density_diffrn    2.928
_cod_duplicate_entry             1007199
_cod_original_formula_sum        'Ba3 P6 O26'
_cod_database_code               9015495
_amcsd_formula_title             'Ba3 H16 O26 P6'
Mineralogy and crystal structures of barium silicate minerals from Fresno County, California
Basciano, L. C.; Master's Thesis, University of British Columbia 1999 (1999) 1–164; doi:

data_9015496
_publ_section_title
;
 Mineralogy and crystal structures of barium silicate minerals
 from Fresno County, California
;
_journal_name_full
'Master's Thesis, University of British Columbia'
_journal_page_first              1
_journal_page_last               164
_journal_volume                  1999
_journal_year                    1999
_chemical_compound_source
'Esquire #7, Big Creek, Fresno County, California, USA'
_chemical_formula_sum            'Ba6 Cl6.391 Mn2.01 O18 Si6 Ti0.99'
_chemical_name_mineral           Verplanckite
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   16.300
_cell_length_b                   16.300
_cell_length_c                   7.169
_cell_formula_units_Z            2
_cell_volume                     1649.546
_database_code_amcsd             0014200
_exptl_crystal_density_diffrn    3.352
_cod_original_formula_sum        'Ba6 (Mn2.01 Ti.99) Si6 Cl6.391 O18'
_cod_database_code               9015496
Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure
Guastoni, A.; Bindi, L.; Nestola, F.; Mineralogical Magazine 76 (2012) 743–750; doi:10.1180/minmag.2012.076.3.21

data_9015497
_publ_section_title
;
 Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach
 quarry, Binn valley, Switzerland: description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              743
_journal_page_last               750
_journal_paper_doi               10.1180/minmag.2012.076.3.21
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Lengenbach quarry, Binn valley, Switzerland'
_chemical_formula_sum            'Ag9 As6 Hg0.5 S12.14 Te1.86'
_chemical_name_mineral           Debattistiite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.563
_cell_angle_beta                 95.880
_cell_angle_gamma                116.79
_cell_formula_units_Z            1
_cell_length_a                   7.832
_cell_length_b                   8.606
_cell_length_c                   10.755
_cell_volume                     635.282
_database_code_amcsd             0018994
_exptl_crystal_density_diffrn    5.613
_cod_original_formula_sum        'Ag9 Hg.5 As6 S12.14 Te1.86'
_cod_database_code               9015497
Etude structurale d'un pyrochlore non stoechiometrique et desordonne contenant Bi(III) et Bi(V) _cod_database_code 1004037
Trehoux, J.; Abraham, F.; Thomas, D.; Journal of Solid State Chemistry 21 (1977) 203–209; doi:10.1016/0022-4596(77)90197-9

data_9015498
_publ_section_title
;
 Etude structurale d'un pyrochlore non stoechiometrique et desordonne
 contenant Bi(III) et Bi(V)
 _cod_database_code 1004037
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              203
_journal_page_last               209
_journal_paper_doi               10.1016/0022-4596(77)90197-9
_journal_volume                  21
_journal_year                    1977
_chemical_formula_sum            'Bi1.185 K0.57 O3.4'
_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                   10.965
_cell_length_b                   10.965
_cell_length_c                   10.965
_cell_formula_units_Z            16
_cell_volume                     1318.335
_database_code_amcsd             0013342
_exptl_crystal_density_diffrn    6.536
_cod_duplicate_entry             1004037
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'K.57 Bi1.185 O3.4'
_cod_database_code               9015498
_amcsd_formula_title             'Bi2.37 H1.9 K1.14 O6.8'
Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O
Kabalov, Y. K.; Zubkova, N. V.; Pushcharovsky, D. Y.; Schneider, J.; Sapozhnikov, A. N.; Zeitschrift fur Kristallographie 215 (2000) 757–761; doi:

data_9015499
_publ_section_title
;
 Powder Rietveld refinement of armstrongite, CaZr[Si6O15]*3H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              757
_journal_page_last               761
_journal_volume                  215
_journal_year                    2000
_chemical_compound_source
'granite pegmatites and alkaline granites in Mongolia'
_chemical_formula_sum            'Ca0.91 H6 Na0.09 O18 Si6 Ti0.01 Y0.03 Zr0.96'
_chemical_name_mineral           Armstrongite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.40
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.018
_cell_length_b                   14.133
_cell_length_c                   7.840
_cell_volume                     1465.044
_database_code_amcsd             0019061
_exptl_crystal_density_diffrn    2.683
_cod_original_formula_sum        '(Ca.91 Na.09) (Zr.96 Y.03 Ti.01) Si6 O18 H6'
_cod_database_code               9015499
Trimetaphosphate de cadmium decahydrate
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 32 (1976) 1894–1896; doi:10.1107/S0567740876006626

data_9015500
_publ_section_title
;
 Trimetaphosphate de cadmium decahydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1894
_journal_page_last               1896
_journal_paper_doi               10.1107/S0567740876006626
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cd3 O28 P6'
_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                 107.72
_cell_angle_gamma                90
_cell_length_a                   9.424
_cell_length_b                   17.87
_cell_length_c                   7.762
_cell_formula_units_Z            2
_cell_volume                     1245.156
_database_code_amcsd             0009566
_exptl_crystal_density_diffrn    2.590
_cod_duplicate_entry             1007007
_cod_original_formula_sum        'Cd3 P6 O28'
_cod_database_code               9015500
_amcsd_formula_title             'Cd3 H20 O28 P6'
Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure
Hawthorne, F. C.; Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Back, M. E.; Tait, K. T.; Mineralogical Magazine 76 (2012) 45–57; doi:10.1180/minmag.2012.076.1.45

data_9015501
_publ_section_title
;
 Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral
 from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia:
 description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              45
_journal_page_last               57
_journal_paper_doi               10.1180/minmag.2012.076.1.45
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'As2 Cu0.4 H8 O12 Zn2.6'
_chemical_name_mineral           Davidlloydite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.2892
_cell_angle_beta                 90.4920
_cell_angle_gamma                87.9958
_cell_length_a                   5.9756
_cell_length_b                   7.6002
_cell_length_c                   5.4471
_cell_formula_units_Z            1
_cell_volume                     245.988
_database_code_amcsd             0018665
_exptl_crystal_density_diffrn    3.681
_cod_original_formula_sum        'Zn2.6 Cu.4 As2 O12 H8'
_cod_database_code               9015501
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa
Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.; American Mineralogist 97 (2012) 1749–1763; doi:10.2138/am.2012.4175

data_9015502
_publ_section_title
;
 Second-order P6c2-P31c transition and structural crystallography of
 the cyclosilicate benitoite, BaTiSi3O9, at high pressure
 Note: P = 6.14 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1749
_journal_page_last               1763
_journal_paper_doi               10.2138/am.2012.4175
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Ba O9 Si3 Ti'
_chemical_name_mineral           Benitoite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.2984
_cell_length_b                   11.2984
_cell_length_c                   9.6051
_cell_formula_units_Z            6
_cell_volume                     1061.858
_database_code_amcsd             0019514
_exptl_crystal_density_diffrn    3.879
_cod_original_formula_sum        'Ba Ti Si3 O9'
_cod_database_code               9015502
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 52.4 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 51 (1980) 5362–5367; doi:10.1063/1.327451

data_9015503
_publ_section_title
;
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 52.4 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5362
_journal_page_last               5367
_journal_paper_doi               10.1063/1.327451
_journal_volume                  51
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O3'
_chemical_name_mineral           Hematite
_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                   5.0020
_cell_length_b                   5.0020
_cell_length_c                   13.6202
_cell_formula_units_Z            6
_cell_volume                     295.122
_database_code_amcsd             0017736
_exptl_crystal_density_diffrn    5.391
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9015503
Etude comparative des structures Mx W O3 de type bronze hexagonal. I. Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie des elements M=Rb, Tl et In
Labbe, P. H.; Goreaud, M.; Raveau, B.; Monier, J. C.; Acta Crystallographica, Section B 34 (1978) 1433–1438; doi:10.1107/S0567740878005841

data_9015504
_publ_section_title
;
 Etude comparative des structures Mx W O3 de type bronze hexagonal. I.
 Analyse structurale des bronzes de composition M0.3 W O3 . Stereochimie
 des elements M=Rb, Tl et In
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1433
_journal_page_last               1438
_journal_paper_doi               10.1107/S0567740878005841
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'In0.9 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                   7.3750
_cell_length_b                   7.3750
_cell_length_c                   7.5009
_cell_formula_units_Z            2
_cell_volume                     353.320
_database_code_amcsd             0009641
_exptl_crystal_density_diffrn    7.509
_cod_duplicate_entry             1001836
_cod_original_formula_sum        'W3 O9 In.9'
_cod_database_code               9015504
_amcsd_formula_title             'In0.3 O3 W'
Synthesis,X-ray single-crystal structure determination and dehydration study of BaZr2F10*2H2O by X-ray powder thermodiffractometry _cod_database_code 1000108
Gao, Y.; Guery, J.; Le Bail, A.; Jacoboni, C.; Journal of Solid State Chemistry 98 (1992) 11–24; doi:10.1016/0022-4596(92)90065-4

data_9015505
_publ_section_title
;
 Synthesis,X-ray single-crystal structure determination and dehydration
 study of BaZr2F10*2H2O by X-ray powder thermodiffractometry
 _cod_database_code 1000108
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              11
_journal_page_last               24
_journal_paper_doi               10.1016/0022-4596(92)90065-4
_journal_volume                  98
_journal_year                    1992
_chemical_formula_sum            'Ba F10 O2 Zr2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.8974
_cell_length_b                   7.9076
_cell_length_c                   14.7227
_cell_formula_units_Z            4
_cell_volume                     919.425
_database_code_amcsd             0013734
_exptl_crystal_density_diffrn    3.914
_cod_original_formula_sum        'Ba Zr2 F10 O2'
_cod_database_code               9015505
_amcsd_formula_title             BaZr2F10*2H2O
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.; Materials Research Bulletin 29 (1994) 743–749; doi:10.1016/0025-5408(94)90199-6

data_9015506
_publ_section_title
;
 Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              743
_journal_page_last               749
_journal_paper_doi               10.1016/0025-5408(94)90199-6
_journal_volume                  29
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'La0.3 Nb2 O6 Sr0.7'
_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                   11.046
_cell_length_b                   7.653
_cell_length_c                   5.571
_cell_formula_units_Z            4
_cell_volume                     470.945
_database_code_amcsd             0018965
_exptl_crystal_density_diffrn    5.427
_cod_original_formula_sum        '(Sr.7 La.3) Nb2 O6'
_cod_database_code               9015506
_amcsd_formula_title             Sr0.7La0.3Nb2O6
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 0.0001 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_9015507
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: DL5 P = 0.0001 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
'Ca1.848 Fe2.041 H2 K0.684 Mg3.199 Na0.11 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
_cell_angle_beta                 105.22
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.866
_cell_length_b                   18.054
_cell_length_c                   5.318
_cell_volume                     914.021
_database_code_amcsd             0005067
_exptl_crystal_density_diffrn    3.291
_cod_original_cell_volume        914.022
_cod_original_formula_sum
'Si8 Mg3.199 Fe2.041 Ca1.848 K.684 Na.11 O24 H2'
_cod_database_code               9015507