LMucko/crystallography-open-database huggingface dataset:
The crystal-structure of the bismuth oxyhalides
Bannister, F. A.; Mineralogical Magazine 24 (1935) 49–58; doi:10.1180/minmag.1935.024.149.01

data_9011783
_publ_section_title
;
 The crystal-structure of the bismuth oxyhalides
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1180/minmag.1935.024.149.01
_journal_volume                  24
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_structural     BiOBr
_chemical_formula_sum            'Bi Br O'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.92
_cell_length_b                   3.92
_cell_length_c                   8.11
_cell_formula_units_Z            2
_cell_volume                     124.622
_database_code_amcsd             0014436
_exptl_crystal_density_diffrn    8.125
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O Br'
_cod_database_code               9011783
_amcsd_formula_title             BiOBr
The crystal-structure of the bismuth oxyhalides
Bannister, F. A.; Mineralogical Magazine 24 (1935) 49–58; doi:10.1180/minmag.1935.024.149.01

data_9011784
_publ_section_title
;
 The crystal-structure of the bismuth oxyhalides
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1180/minmag.1935.024.149.01
_journal_volume                  24
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_structural     BiOI
_chemical_formula_sum            'Bi I O'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.01
_cell_length_b                   4.01
_cell_length_c                   9.14
_cell_formula_units_Z            2
_cell_volume                     146.972
_database_code_amcsd             0014437
_exptl_crystal_density_diffrn    7.951
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Bi O I'
_cod_database_code               9011784
_amcsd_formula_title             BiOI
The crystal-structure of the bismuth oxyhalides Locality: synthetic
Bannister, F. A.; Mineralogical Magazine 24 (1935) 49–58; doi:10.1180/minmag.1935.024.149.01

data_9011785
_publ_section_title
;
 The crystal-structure of the bismuth oxyhalides
 Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1180/minmag.1935.024.149.01
_journal_volume                  24
_journal_year                    1935
_chemical_formula_sum            'Br F Pb'
_chemical_name_mineral           PbFBr
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.18
_cell_length_b                   4.18
_cell_length_c                   7.59
_cell_formula_units_Z            2
_cell_volume                     132.616
_exptl_crystal_density_diffrn    7.666
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Pb F Br'
_cod_database_code               9011785
_database_code_amcsd 0014438
The fibrous zeolite erionite; its occurrence, unit cell, and structure Note: K atom was not located
Staples, L. W.; Gard, J. A.; Mineralogical Magazine 32 (1959) 261–281; doi:10.1180/minmag.1959.032.247.01

data_9011786
_publ_section_title
;
 The fibrous zeolite erionite; its occurrence, unit cell, and structure
 Note: K atom was not located
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              261
_journal_page_last               281
_journal_paper_doi               10.1180/minmag.1959.032.247.01
_journal_volume                  32
_journal_year                    1959
_chemical_compound_source
'Durkee opal mine, Swayze Creek, Baker County, Oregon, USA'
_chemical_formula_sum            'Al0.25 O2 Si0.75'
_chemical_name_mineral           Erionite-K
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.26
_cell_length_b                   13.26
_cell_length_c                   15.12
_cell_formula_units_Z            36
_cell_volume                     2302.340
_database_code_amcsd             0014439
_exptl_crystal_density_diffrn    1.553
_cod_original_formula_sum        '(Al.25 Si.75) O2'
_cod_database_code               9011786
The crystal structure of sinhalite Locality: Sri Lanka
Fang, J. H.; Newnham, R. E.; Mineralogical Magazine 35 (1965) 196–199; doi:10.1180/minmag.1965.035.269.22

data_9011787
_publ_section_title
;
 The crystal structure of sinhalite
 Locality: Sri Lanka
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              196
_journal_page_last               199
_journal_paper_doi               10.1180/minmag.1965.035.269.22
_journal_volume                  35
_journal_year                    1965
_chemical_formula_sum            'Al B Mg O4'
_chemical_name_mineral           Sinhalite
_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                   9.878
_cell_length_b                   5.675
_cell_length_c                   4.328
_cell_formula_units_Z            4
_cell_volume                     242.618
_exptl_crystal_density_diffrn    3.452
_cod_original_formula_sum        'Al Mg B O4'
_cod_database_code               9011787
_cod_duplicate_entry 5000212
The crystal structure of epistilbite
Perrotta, A. J.; Mineralogical Magazine 36 (1967) 480–490; doi:10.1180/minmag.1967.036.280.02

data_9011788
_publ_section_title
;
 The crystal structure of epistilbite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              480
_journal_page_last               490
_journal_paper_doi               10.1180/minmag.1967.036.280.02
_journal_volume                  36
_journal_year                    1967
_chemical_compound_source        'Teigarhorn, Iceland'
_chemical_formula_sum
'Al3.144 Ca1.296 H13.62 K0.05 Na0.53 O31.87 Si8.856'
_chemical_name_mineral           Epistilbite
_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                 124.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.08
_cell_length_b                   17.74
_cell_length_c                   10.25
_cell_volume                     1360.030
_database_code_amcsd             0014448
_exptl_crystal_density_diffrn    2.255
_cod_original_formula_sum
'Ca1.296 Na.53 K.05 (Al3.144 Si8.856) O31.87 H13.62'
_cod_database_code               9011788
_cod_duplicate_entry 9009440
Structural similarities of some secondary lead minerals Note: coordinates of O atoms are from arsentsumebite
Fanfani, L.; Zanazzi, P. F.; Mineralogical Magazine 36 (1967) 522–529; doi:10.1180/minmag.1967.036.280.06

data_9011789
_publ_section_title
;
 Structural similarities of some secondary lead minerals
 Note: coordinates of O atoms are from arsentsumebite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              522
_journal_page_last               529
_journal_paper_doi               10.1180/minmag.1967.036.280.06
_journal_volume                  36
_journal_year                    1967
_chemical_compound_source        'Tsumeb, South West Africa'
_chemical_formula_sum            'Cu2 H O9 P Pb2 S'
_chemical_name_mineral           Tsumebite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 111
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.85
_cell_length_b                   5.80
_cell_length_c                   8.70
_cell_volume                     369.801
_database_code_amcsd             0014449
_exptl_crystal_density_diffrn    6.731
_cod_original_formula_sum        'Pb2 Cu2 S P (O9 H)'
_cod_database_code               9011789
Further detail on the crystal structure of zussmanite Locality: Laytonville district, Mendocino County, California
Lopes-Vieira A; Zussman, J.; Mineralogical Magazine 37 (1969) 49–60; doi:10.1180/minmag.1969.037.285.06

data_9011790
_publ_section_title
;
 Further detail on the crystal structure of zussmanite
 Locality: Laytonville district, Mendocino County, California
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              49
_journal_page_last               60
_journal_paper_doi               10.1180/minmag.1969.037.285.06
_journal_volume                  37
_journal_year                    1969
_chemical_formula_sum            'Al Fe10.92 H8.5 K0.92 Mg2.08 Na0.07 O56 Si17'
_chemical_name_mineral           Zussmanite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.66
_cell_length_b                   11.66
_cell_length_c                   28.69
_cell_volume                     3377.989
_cod_data_source_file            11325.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'K.92 Na.07 (Fe10.92 Mg2.08) Si17 Al O56 H8.5'
_cod_database_code               9011790
_cod_duplicate_entry 9009441
Yttrotungstite Locality: Kinta district, Perak, Malaysia
Davis, R. J.; Smith, G. W.; Mineralogical Magazine 38 (1971) 261–285; doi:10.1180/minmag.1971.038.295.01

data_9011791
_publ_section_title
;
 Yttrotungstite
 Locality: Kinta district, Perak, Malaysia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              261
_journal_page_last               285
_journal_paper_doi               10.1180/minmag.1971.038.295.01
_journal_volume                  38
_journal_year                    1971
_chemical_formula_sum
;Al0.1 Ca0.04 Ce0.08 Dy0.05 Er0.04 Fe0.02 Gd0.04 H1.125 La0.01 Mg0.03 Nd0.09
 O9 Pr0.01 Si0.04 Sm0.03 Tb0.01 W1.84 Y0.57
;
_chemical_name_mineral           Yttrotungstite-(Y)
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.93
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.954
_cell_length_b                   8.637
_cell_length_c                   5.771
_cell_volume                     334.915
_cod_data_source_file            11328.cif
_cod_data_source_block           global
_cod_original_formula_sum
;(Mg.03 Ca.04 Ce.08 La.01 Pr.01 Nd.09 Sm.03 Gd.04 Tb.01 Dy.05 Er.04 Y.57)
 (W1.84 Al.1 Si.04 Fe.02) O9 H1.125
;
_cod_database_code               9011791
_cod_duplicate_entry 9009444
The crystal structure of dundasite
Cocco, G.; Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Mineralogical Magazine 38 (1972) 564–569; doi:10.1180/minmag.1972.038.297.04

data_9011792
_publ_section_title
;
 The crystal structure of dundasite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              564
_journal_page_last               569
_journal_paper_doi               10.1180/minmag.1972.038.297.04
_journal_volume                  38
_journal_year                    1972
_chemical_compound_source        'Gonnesa, Sardinia, Italy'
_chemical_formula_sum            'C2 H6 Al2 O11 Pb'
_chemical_name_mineral           Dundasite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.08
_cell_length_b                   16.37
_cell_length_c                   5.62
_cell_volume                     835.355
_database_code_amcsd             0014455
_exptl_crystal_density_diffrn    3.715
_cod_original_formula_sum        'Pb Al2 C2 O11 H6'
_cod_database_code               9011792
The crystal structure of schairerite and its relationship to sulphohalite
Fanfani, L.; Nunzi, A.; Zanazzi, P. F.; Zanzari, A. R.; Sabelli, C.; Mineralogical Magazine 40 (1975) 131–139; doi:

data_9011793
_publ_section_title
;
 The crystal structure of schairerite and its relationship to sulphohalite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              131
_journal_page_last               139
_journal_volume                  40
_journal_year                    1975
_chemical_compound_source        'Searles Lake, California, USA'
_chemical_formula_sum            'Cl F6 Na21 O28 S7'
_chemical_name_mineral           Schairerite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.197
_cell_length_b                   12.197
_cell_length_c                   19.259
_cell_formula_units_Z            3
_cell_volume                     2481.249
_database_code_amcsd             0014463
_exptl_crystal_density_diffrn    2.619
_cod_original_formula_sum        'Na21 S7 O28 F6 Cl'
_cod_database_code               9011793
Mitridatite - a remarkable octahedral sheet structure Loclaity: White Elephant pegmatite, Custer, South Dakota, USA
Moore, P. B.; Araki, T.; Mineralogical Magazine 41 (1977) 527–528; doi:10.1180/minmag.1977.041.320.16

data_9011794
_publ_section_title
;
 Mitridatite - a remarkable octahedral sheet structure
 Loclaity: White Elephant pegmatite, Custer, South Dakota, USA
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              527
_journal_page_last               528
_journal_paper_doi               10.1180/minmag.1977.041.320.16
_journal_volume                  41
_journal_year                    1977
_chemical_formula_sum            'Ca2 Fe3 H6 O17 P3'
_chemical_name_mineral           Mitridatite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'A -2ya'
_symmetry_space_group_name_H-M   'A 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.92
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   17.53
_cell_length_b                   19.35
_cell_length_c                   11.25
_cell_volume                     3795.710
_database_code_amcsd             0014469
_exptl_crystal_density_diffrn    3.248
_cod_original_cell_volume        3795.711
_cod_original_formula_sum        'Ca2 Fe3 P3 O17 H6'
_cod_database_code               9011794
The crystal structure of hohmannite, Fe2(H2O)4[(SO4)2O]*4H2O and its relationship to amaranite, Fe2(H2O)4[(SO4)2O]*3H2O Locality: synthetic
Scordari, F.; Mineralogical Magazine 42 (1978) 144–146; doi:10.1180/minmag.1978.042.321.24

data_9011795
_publ_section_title
;
 The crystal structure of hohmannite, Fe2(H2O)4[(SO4)2O]*4H2O
 and its relationship to amaranite, Fe2(H2O)4[(SO4)2O]*3H2O
 Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              144
_journal_page_last               146
_journal_paper_doi               10.1180/minmag.1978.042.321.24
_journal_volume                  42
_journal_year                    1978
_chemical_formula_sum            'Fe2 H16 O17 S2'
_chemical_name_mineral           Hohmannite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.29
_cell_angle_beta                 90.79
_cell_angle_gamma                107.36
_cell_length_a                   9.148
_cell_length_b                   10.922
_cell_length_c                   7.183
_cell_volume                     684.897
_exptl_crystal_density_diffrn    2.250
_cell_formula_units_Z            1
_cod_depositor_comments
;
       Insterting Z value to consider the compound as tetranuclear
       Water oxygen renamed so they are recognized as oxygens
                                  miguel
;
_cod_original_formula_sum        'Fe2 S2 O17 H16'
_cod_database_code               9011795
_database_code_amcsd 0014470
The crystal structure of caratiite
Effenberger, H.; Zemann, J.; Mineralogical Magazine 48 (1984) 541–546; doi:10.1180/minmag.1984.048.349.10

data_9011796
_publ_section_title
;
 The crystal structure of caratiite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              541
_journal_page_last               546
_journal_paper_doi               10.1180/minmag.1984.048.349.10
_journal_volume                  48
_journal_year                    1984
_chemical_compound_source        'Mount Vesuvius, Naples, Italy'
_chemical_formula_sum            'Cl Cu4.5 K4 O18 S4'
_chemical_name_mineral           Piypite
_space_group_IT_number           79
_symmetry_space_group_name_Hall  'I 4'
_symmetry_space_group_name_H-M   'I 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.60
_cell_length_b                   13.60
_cell_length_c                   4.98
_cell_formula_units_Z            2
_cell_volume                     921.101
_database_code_amcsd             0014478
_exptl_crystal_density_diffrn    3.224
_cod_original_formula_sum        'K4 Cu4.5 O18 S4 Cl'
_cod_database_code               9011796
The crystal chemistry of rhodizite: a re-examination
Pring, A.; Din, V. K.; Jefferson, D. A.; Thomas, J. M.; Mineralogical Magazine 50 (1986) 163–172; doi:10.1180/minmag.1986.050.355.22

data_9011797
_publ_section_title
;
 The crystal chemistry of rhodizite: a re-examination
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              163
_journal_page_last               172
_journal_paper_doi               10.1180/minmag.1986.050.355.22
_journal_volume                  50
_journal_year                    1986
_chemical_compound_source
'Ambatofinandrahana, Ankarata Mts, Madagascar'
_chemical_formula_sum
'Al4 B11.35 Be4.56 Cs0.36 K0.46 Na0.02 O28 Rb0.06'
_chemical_name_mineral           Rhodizite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.318
_cell_length_b                   7.318
_cell_length_c                   7.318
_cell_formula_units_Z            1
_cell_volume                     391.902
_database_code_amcsd             0014483
_exptl_crystal_density_diffrn    3.352
_cod_original_formula_sum
'K.46 Cs.36 Rb.06 Na.02 Al4 Be4.56 B11.35 O28'
_cod_database_code               9011797
Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new mineral Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia Note: y(Zn2) corrected
Semenova, T. F.; Rozhdestvenskaya, I. V.; Filatov, S. K.; Vergasova, L. P.; Mineralogical Magazine 56 (1992) 241–245; doi:10.1180/minmag.1992.056.383.11

data_9011798
_publ_section_title
;Crystal structure and physical properties of sophiite, Zn2(SeO3)Cl2, a new
 mineral Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia Note:
 y(Zn2) corrected
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              241
_journal_page_last               245
_journal_paper_doi               10.1180/minmag.1992.056.383.11
_journal_volume                  56
_journal_year                    1992
_chemical_compound_source
'Tolbachik Main Fracture Eruption, Kamchatka, Russia'
_chemical_formula_sum            'Cl2 O3 Se Zn2'
_chemical_name_mineral           Sophiite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.251
_cell_length_b                   15.223
_cell_length_c                   7.666
_cell_formula_units_Z            8
_cell_volume                     1196.287
_database_code_amcsd             0014495
_exptl_crystal_density_diffrn    3.649
_cod_original_formula_sum        'Zn2 Se Cl2 O3'
_cod_database_code               9011798
The crystal structure of russellite; a re-determination using neutron powder diffraction of synthetic Bi2WO6
Knight, K. S.; Mineralogical Magazine 56 (1992) 399–409; doi:10.1180/minmag.1992.056.384.13

data_9011799
_publ_section_title
;
 The crystal structure of russellite; a re-determination
 using neutron powder diffraction of synthetic Bi2WO6
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              399
_journal_page_last               409
_journal_paper_doi               10.1180/minmag.1992.056.384.13
_journal_volume                  56
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 O6 W'
_chemical_name_mineral           Russellite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.43726
_cell_length_b                   16.43018
_cell_length_c                   5.45842
_cell_formula_units_Z            4
_cell_volume                     487.629
_database_code_amcsd             0014496
_exptl_crystal_density_diffrn    9.505
_cod_original_formula_sum        'Bi2 W O6'
_cod_database_code               9011799
Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal FeS Locality: synthetic
Lennie, A. R.; Redfern, S. A. T.; Schofield, P. F.; Vaughan, D. J.; Mineralogical Magazine 59 (1995) 677–683; doi:10.1180/minmag.1995.059.397.10

data_9011800
_publ_section_title
;Synthesis and Rietveld crystal structure refinement of mackinawite,
 tetragonal FeS Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              677
_journal_page_last               683
_journal_paper_doi               10.1180/minmag.1995.059.397.10
_journal_volume                  59
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe S'
_chemical_name_mineral           Mackinawite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.6735
_cell_length_b                   3.6735
_cell_length_c                   5.0328
_cell_formula_units_Z            2
_cell_volume                     67.916
_database_code_amcsd             0014518
_exptl_crystal_density_diffrn    4.299
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9011800