LMucko/crystallography-open-database huggingface dataset:
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 540 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9015691
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 540 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.9771
_cell_length_b                   4.9771
_cell_length_c                   17.3369
_cell_formula_units_Z            6
_cell_volume                     371.925
_database_code_amcsd             0017861
_exptl_crystal_density_diffrn    2.681
_cod_original_cell_volume        371.924
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015691
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa
Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.; American Mineralogist 97 (2012) 1764–1770; doi:10.2138/am.2012.4103

data_9015692
_publ_section_title
;
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
 Note: P = 44.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1764
_journal_page_last               1770
_journal_paper_doi               10.2138/am.2012.4103
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.714
_cell_length_b                   4.714
_cell_length_c                   13.029
_cell_volume                     250.738
_exptl_crystal_density_diffrn    6.039
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item and updating the space group
 information.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9015692
Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 _cod_database_code 1001095
Grenet, J.; Michel, A.; Annales de Chimie 1971 (1971) 83–88; doi:

data_9015693
_publ_section_title
;
 Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6
 _cod_database_code 1001095
;
_journal_name_full               'Annales de Chimie'
_journal_page_first              83
_journal_page_last               88
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'Ba Cr0.5 O3 U0.5'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.301
_cell_length_b                   8.301
_cell_length_c                   8.301
_cell_formula_units_Z            8
_cell_volume                     571.994
_database_code_amcsd             0012009
_exptl_crystal_density_diffrn    7.672
_cod_duplicate_entry             1001095
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Ba (Cr.5 U.5) O3'
_cod_database_code               9015693
_amcsd_formula_title             Ba2CrUO6
The structure of the modifications of manganese oxide
Kondrashev, Y. D.; Zaslavskii, A. I.; Izvestiya Akademii Nauk SSSR 15 (1951) 179–186; doi:

data_9015694
_publ_section_title
;
 The structure of the modifications of manganese oxide
;
_journal_name_full               'Izvestiya Akademii Nauk SSSR'
_journal_page_first              179
_journal_page_last               186
_journal_volume                  15
_journal_year                    1951
_chemical_formula_sum            'Mn O2'
_chemical_name_mineral           Pyrolusite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.388
_cell_length_b                   4.388
_cell_length_c                   2.865
_cell_formula_units_Z            2
_cell_volume                     47.774
_database_code_amcsd             0017791
_exptl_crystal_density_diffrn    6.044
_cod_database_code               9015694
Layer Structuer: The Oxides A3 Ti5 M O14 _cod_database_code 1001108
Hervieu, M.; Rebbah, A.; Desgardin, G.; Raveau, B.; Journal of Solid State Chemistry 35 (1980) 200–206; doi:10.1016/0022-4596(80)90494-6

data_9015695
_publ_section_title
;
 Layer Structuer: The Oxides A3 Ti5 M O14
 _cod_database_code 1001108
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              200
_journal_page_last               206
_journal_paper_doi               10.1016/0022-4596(80)90494-6
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Nb0.5 O7 Rb1.5 Ti2.5'
_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                 100.93
_cell_angle_gamma                90
_cell_length_a                   19.073
_cell_length_b                   3.814
_cell_length_c                   9.223
_cell_formula_units_Z            4
_cell_volume                     658.751
_database_code_amcsd             0013412
_exptl_crystal_density_diffrn    4.097
_cod_duplicate_entry             1001108
_cod_original_formula_sum        'Rb1.5 Ti2.5 Nb.5 O7'
_cod_database_code               9015695
_amcsd_formula_title             'Nb O14 Rb3 Ti5'
Rietveld studies of the aluminium-iron substitution in synthetic goethite
Hazemann, J.-L.; Bérar, J. F.; Manceau, A.; Materials Science Forum  (1991) 821–826; doi:10.4028/www.scientific.net/MSF.79-82.821

data_9015696
_publ_section_title
;
 Rietveld studies of the aluminium-iron substitution in synthetic goethite
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              821
_journal_page_last               826
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.821
_journal_volume                  79-82
_journal_year                    1991
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Goethite
_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_length_a                   4.6188
_cell_length_b                   9.9528
_cell_length_c                   3.0236
_cell_formula_units_Z            4
_cell_volume                     138.995
_database_code_amcsd             0016643
_exptl_crystal_density_diffrn    4.198
_cod_duplicate_entry             1008766
_cod_database_code               9015696
Hydrogen bonding in (N H4) (H S O4) (N H4) (H2 P O4) _cod_database_code 1008248
Averbuch-Pouchot M; Materials Research Bulletin 16 (1981) 407–411; doi:10.1016/0025-5408(81)90008-8

data_9015697
_publ_section_title
;
 Hydrogen bonding in (N H4) (H S O4) (N H4) (H2 P O4)
 _cod_database_code 1008248
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              407
_journal_page_last               411
_journal_paper_doi               10.1016/0025-5408(81)90008-8
_journal_volume                  16
_journal_year                    1981
_chemical_formula_sum            'H5.5 N O4 P0.5 S0.5'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.32
_cell_angle_gamma                90
_cell_length_a                   7.723
_cell_length_b                   7.540
_cell_length_c                   7.482
_cell_formula_units_Z            4
_cell_volume                     427.212
_database_code_amcsd             0016170
_exptl_crystal_density_diffrn    1.789
_cod_duplicate_entry             1008248
_cod_original_formula_sum        '(S.5 P.5) O4 N H5.5'
_cod_database_code               9015697
_amcsd_formula_title             'H11 N2 O8 P S'
The structure of a quaternary phase Ca20Al32-2vMgvSivO68
Hanic, F.; Handlovic, M.; Kapralik, I.; Acta Crystallographica, Section B 36 (1980) 2863–2869; doi:10.1107/S0567740880010436

data_9015698
_publ_section_title
;
 The structure of a quaternary phase Ca20Al32-2vMgvSivO68
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2863
_journal_page_last               2869
_journal_paper_doi               10.1107/S0567740880010436
_journal_volume                  36
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al6.5 Ca5 Mg0.75 O17 Si0.75'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   27.638
_cell_length_b                   10.799
_cell_length_c                   5.123
_cell_formula_units_Z            4
_cell_volume                     1529.025
_database_code_amcsd             0017814
_exptl_crystal_density_diffrn    2.985
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'Ca5 Al6.5 Mg.75 Si.75 O17'
_cod_database_code               9015698
_amcsd_formula_title             Ca20Al26Mg3Si3O68
Un nouvel exemple d'anion du type (X Cr2 O10) (X=As). Structure de Ba H (As Cr2 O10)
Blum, D.; Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B 35 (1979) 726–727; doi:10.1107/S0567740879004556

data_9015699
_publ_section_title
;
 Un nouvel exemple d'anion du type (X Cr2 O10) (X=As). Structure de
 Ba H (As Cr2 O10)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              726
_journal_page_last               727
_journal_paper_doi               10.1107/S0567740879004556
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'As Ba Cr2 O10'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.91
_cell_angle_beta                 99.41
_cell_angle_gamma                89.31
_cell_length_a                   7.433
_cell_length_b                   7.960
_cell_length_c                   8.038
_cell_formula_units_Z            2
_cell_volume                     421.074
_database_code_amcsd             0015986
_exptl_crystal_density_diffrn    3.756
_cod_duplicate_entry             1008039
_cod_original_formula_sum        'Ba As Cr2 O10'
_cod_database_code               9015699
_amcsd_formula_title             'As Ba Cr2 H O10'
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy) Note: crystal n.2
Callegari, A.; Mazzi, F.; Ungaretti, P.; Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 467–480; doi:

data_9015700
_publ_section_title
;
 The crystal structure of orthorhombic calzirtite from Val Malenco (Italy)
 Note: crystal n.2
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              467
_journal_page_last               480
_journal_volume                  1997
_journal_year                    1997
_chemical_compound_source
'Rocca Castellaccio, Val Malenco, Sondrio, Italy'
_chemical_formula_sum            'Ca2 O16 Ti2 Zr5'
_chemical_name_mineral           Calzirtite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.207
_cell_length_b                   15.207
_cell_length_c                   10.114
_cell_formula_units_Z            8
_cell_volume                     2338.891
_database_code_amcsd             0019378
_exptl_crystal_density_diffrn    5.044
_cod_original_formula_sum        'Zr5 Ti2 Ca2 O16'
_cod_database_code               9015700
Effects of extra oxygen on the structure and superconductivity of La2-xCaxCuO4+y prepared by chemical oxidation _cod_database_code 1006189
Rial, C.; Moran, E.; Alario-Franco M; Amador, U.; Martinez, J.; Rodriguez-Carvajal J; Andersen, N.; Physica C 297 (1998) 277–293; doi:

data_9015701
_publ_section_title
;
 Effects of extra oxygen on the structure and superconductivity of
 La2-xCaxCuO4+y prepared by chemical oxidation
 _cod_database_code 1006189
;
_journal_name_full               'Physica C'
_journal_page_first              277
_journal_page_last               293
_journal_volume                  297
_journal_year                    1998
_chemical_formula_sum            'Ca0.05 Cu La1.95 O4.08'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3310
_cell_length_b                   5.3826
_cell_length_c                   13.1623
_cell_formula_units_Z            4
_cell_volume                     377.687
_database_code_amcsd             0015098
_exptl_crystal_density_diffrn    7.064
_cod_duplicate_entry             1006189
_cod_original_formula_sum        '(La1.95 Ca.05) Cu O4.08'
_cod_database_code               9015701
_amcsd_formula_title             'Ca0.05 Cu La1.95 O4.1'
Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy
Roberts, A. C.; Venance, K. E.; Seward, T. M.; Grice, J. D.; Paar, W. H.; The Mineralogical Record 37 (2006) 165–168; doi:

data_9015702
_publ_section_title
;
 Lafossaite, a new mineral from the La Fossa Crater, Vulcano, Italy
;
_journal_name_full               'The Mineralogical Record'
_journal_page_first              165
_journal_page_last               168
_journal_volume                  37
_journal_year                    2006
_chemical_compound_source        'La Fossa Crater, Vulcano, Italy'
_chemical_formula_sum            'Cl Tl'
_chemical_name_mineral           Lafossaite
_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_formula_units_Z            1
_cell_length_a                   3.901
_cell_length_b                   3.901
_cell_length_c                   3.901
_cell_volume                     59.365
_database_code_amcsd             0018089
_exptl_crystal_density_diffrn    6.709
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_original_formula_sum        'Tl Cl'
_cod_database_code               9015702
Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE
Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G.; American Mineralogist 97 (2012) 1206–1212; doi:10.2138/am.2012.4082

data_9015703
_publ_section_title
;
 Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant
 member of the hilgardite group, and micro-determination of boron minerals by PIGE
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1206
_journal_page_last               1212
_journal_paper_doi               10.2138/am.2012.4082
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Mina Asuncion, Atacama Desert, Chile'
_chemical_formula_sum            'B10 Cl2 H2 O19 Pb4'
_chemical_name_mineral           Leucostaurite
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.376
_cell_length_b                   11.505
_cell_length_c                   6.5568
_cell_volume                     858.160
_database_code_amcsd             0019064
_exptl_crystal_density_diffrn    5.084
_cod_original_formula_sum        'Pb4 Cl2 B10 O19 H2'
_cod_database_code               9015703
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 21.57 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015704
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 21.57 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.498
_cell_length_b                   3.498
_cell_length_c                   3.498
_cell_formula_units_Z            4
_cell_volume                     42.802
_database_code_amcsd             0019440
_exptl_crystal_density_diffrn    8.667
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015704
_cod_duplicate_entry 9015105
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9015705
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 11,100 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.611 Fe0.388 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.1457
_cell_length_b                   8.1457
_cell_length_c                   8.1457
_cell_formula_units_Z            8
_cell_volume                     540.487
_database_code_amcsd             0019277
_exptl_crystal_density_diffrn    3.771
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.611 Mg Fe.388 O4'
_cod_database_code               9015705
The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder
Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B.; Mineralogical Magazine 76 (2012) 1133–1152; doi:10.1180/minmag.2012.076.5.06

data_9015706
_publ_section_title
;
 The sulfite anion in ettringite-group minerals: a new mineral species
 hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
 solid-solution series
 Note: sample G-3049, powder
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1133
_journal_page_last               1152
_journal_paper_doi               10.1180/minmag.2012.076.5.06
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source
'Graulay basalt quarry, Hillesheim,  Eifel Mountains, Germany'
_chemical_formula_sum            'C0.39 Al0.3 Ca3 O25 S1.57 Si0.7'
_chemical_name_mineral           Hielscherite
_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_length_a                   11.1178
_cell_length_b                   11.1178
_cell_length_c                   10.5381
_cell_formula_units_Z            2
_cell_volume                     1128.056
_database_code_amcsd             0019545
_exptl_crystal_density_diffrn    1.775
_cod_original_formula_sum        'Ca3 (Si.7 Al.3) O25 S1.57 C.39'
_cod_database_code               9015706
Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6 Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration Product Fe2 F5 H2 O _cod_database_code 1000174
Ferey, G.; le Blanc, M.; de Pape, R.; Journal of Solid State Chemistry 40 (1981) 1–7; doi:10.1016/0022-4596(81)90352-2

data_9015707
_publ_section_title
;
 Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6
 Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration
 Product Fe2 F5 H2 O
 _cod_database_code 1000174
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1016/0022-4596(81)90352-2
_journal_volume                  40
_journal_year                    1981
_chemical_formula_sum            'F6 Fe2 N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.045
_cell_length_b                   7.454
_cell_length_c                   10.116
_cell_formula_units_Z            4
_cell_volume                     531.226
_database_code_amcsd             0013420
_exptl_crystal_density_diffrn    2.997
_cod_duplicate_entry             1000174
_cod_original_formula_sum        'N Fe2 F6'
_cod_database_code               9015707
_amcsd_formula_title             'F6 Fe2 H4 N'