LMucko/crystallography-open-database huggingface dataset:
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P2, P = 3.48 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015324
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P2, P = 3.48 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_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                   4.664
_cell_length_b                   4.664
_cell_length_c                   15.168
_cell_formula_units_Z            6
_cell_volume                     285.743
_database_code_amcsd             0017563
_exptl_crystal_density_diffrn    4.040
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015324
Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25
Ardit, M.; Dondi, M.; Cruciani, G.; American Mineralogist 97 (2012) 910–917; doi:10.2138/am.2012.3977

data_9015325
_publ_section_title
;
 Structural stability, cation ordering, and local
 relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
 Note: Sample label: N25
;
_journal_name_full               'American Mineralogist'
_journal_page_first              910
_journal_page_last               917
_journal_paper_doi               10.2138/am.2012.3977
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.76 Cr0.24 Nb O4'
_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                 107.70
_cell_angle_gamma                90
_cell_length_a                   12.1881
_cell_length_b                   3.7726
_cell_length_c                   6.5033
_cell_formula_units_Z            4
_cell_volume                     284.872
_database_code_amcsd             0019054
_exptl_crystal_density_diffrn    4.428
_cod_original_formula_sum        'Al.76 Nb O4 Cr.24'
_cod_database_code               9015325
_amcsd_formula_title             AlNbO4
Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
Ma, C.; Connolly, H. C.; Beckett, J. R.; Tschauner, O.; Rossman, G. R.; Kampf, A. R.; Zega, T. J.; Sweeney Smith, S. A.; Schrader, D. L.; American Mineralogist 96 (2011) 1199–1206; doi:10.2138/am.2011.3755

data_9015326
_publ_section_title
;
 Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1199
_journal_page_last               1206
_journal_paper_doi               10.2138/am.2011.3755
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source
'Northwest Africa 1934 CV3 carbonaceous chondrite'
_chemical_formula_sum            'Al7 Ca6.66 Cl1.11 O16'
_chemical_name_mineral           Brearleyite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.98
_cell_length_b                   11.98
_cell_length_c                   11.98
_cell_formula_units_Z            4
_cell_volume                     1719.374
_database_code_amcsd             0018484
_exptl_crystal_density_diffrn    2.902
_cod_original_formula_sum        'Ca6.66 Al7 O16 Cl1.11'
_cod_database_code               9015326
Euchroite, a heteropolyhedral framework structure
Eby, R. K.; Hawthorne, F. C.; Acta Crystallographica, Section C 45 (1989) 1479–1482; doi:10.1107/S0108270189003148

data_9015327
_publ_section_title
;
 Euchroite, a heteropolyhedral framework structure
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1479
_journal_page_last               1482
_journal_paper_doi               10.1107/S0108270189003148
_journal_volume                  45
_journal_year                    1989
_chemical_compound_source        'Coller cliff, Montana, USA'
_chemical_formula_sum            'As Cu2 H7 O8'
_chemical_name_mineral           Euchroite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.506
_cell_length_b                   10.506
_cell_length_c                   6.103
_cell_volume                     673.625
_database_code_amcsd             0018354
_exptl_crystal_density_diffrn    3.324
_cod_original_formula_sum        'Cu2 As O8 H7'
_cod_database_code               9015327
Zur Kristallstruktur der Titansulfide
Hahn, H.; Harder, B.; Zeitschrift fur Anorganische und Allgemeine Chemie 288 (1956) 241–256; doi:10.1002/zaac.19572880502

data_9015328
_publ_section_title
;
 Zur Kristallstruktur der Titansulfide
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              241
_journal_page_last               256
_journal_paper_doi               10.1002/zaac.19572880502
_journal_volume                  288
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            'S Ti'
_chemical_name_mineral           Wassonite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.417
_cell_length_b                   3.417
_cell_length_c                   26.455
_cell_formula_units_Z            9
_cell_volume                     267.503
_database_code_amcsd             0018877
_exptl_crystal_density_diffrn    4.466
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ti S'
_cod_database_code               9015328
The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
Giuseppetti, G.; Mazzi, F.; Tadini, C.; Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 203–221; doi:

data_9015329
_publ_section_title
;
 The crystal structure of synthetic burkeite
 Sample B
 Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              203
_journal_page_last               221
_journal_volume                  1988
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C0.55 Na4 O7.45 S1.45'
_chemical_name_mineral           Burkeite
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2a'
_symmetry_space_group_name_H-M   'P m n m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.177
_cell_length_b                   9.224
_cell_length_c                   7.066
_cell_formula_units_Z            2
_cell_volume                     337.420
_database_code_amcsd             0014824
_exptl_crystal_density_diffrn    2.601
_cod_original_sg_symbol_H-M      'P m n m'
_cod_original_formula_sum        'Na4 C.55 S1.45 O7.45'
_cod_database_code               9015329
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 16.63 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_9015330
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 16.63 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                   3.527
_cell_length_b                   3.527
_cell_length_c                   3.527
_cell_formula_units_Z            4
_cell_volume                     43.875
_database_code_amcsd             0019414
_exptl_crystal_density_diffrn    8.455
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015330
_cod_duplicate_entry 9014540
The occurrence and crystal structure of foitite from a tungsten-bearing vein at Copper Mountain, Taos County, New Mexico Note: y-coordinate of H3 changed to x/2
Francis, C. A.; Dyar, M. D.; Williams, M. L.; Hughes, J. M.; The Canadian Mineralogist 37 (1999) 1431–1438; doi:

data_9015331
_publ_section_title
;
 The occurrence and crystal structure of foitite from a tungsten-bearing vein
 at Copper Mountain, Taos County, New Mexico
 Note: y-coordinate of H3 changed to x/2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1431
_journal_page_last               1438
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        'Copper Mountain, Taos County, New Mexico'
_chemical_formula_sum
'Al6.99 B2.88 Ca0.002 F0.11 Fe1.71 H3.54 K0.002 Mg0.3 Na0.414 O30.89 Si6'
_chemical_name_mineral           Foitite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.973
_cell_length_b                   15.973
_cell_length_c                   7.137
_cell_volume                     1576.955
_database_code_amcsd             0005633
_exptl_crystal_density_diffrn    3.161
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.414 Ca.002 K.002 (Fe1.71 Al6.99 Mg.3) Si6 B2.88 O30.89 F.11 H3.54'
_cod_database_code               9015331
_cod_duplicate_entry 9004541
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data
Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.; Acta Crystallographica, Section B 63 (2007) 828–835; doi:10.1107/S0108768107043327

data_9015332
_publ_section_title
;
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 10 K, powder neutron data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              828
_journal_page_last               835
_journal_paper_doi               10.1107/S0108768107043327
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        'synthetic, Fluka 83379'
_chemical_formula_sum            'Hg I2'
_chemical_name_mineral           Coccinite
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.358
_cell_length_b                   4.358
_cell_length_c                   12.300
_cell_formula_units_Z            2
_cell_volume                     233.604
_database_code_amcsd             0019547
_exptl_crystal_density_diffrn    6.460
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               9015332
Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures
Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D.; Mineralogical Magazine 76 (2012) 25–36; doi:10.1180/minmag.2012.076.1.25

data_9015333
_publ_section_title
;
 Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F:
 a topological intermediate between brucite- and rutile-type structures
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              25
_journal_page_last               36
_journal_paper_doi               10.1180/minmag.2012.076.1.25
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F H Mg O'
_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                   10.1299
_cell_length_b                   3.0723
_cell_length_c                   4.676
_cell_formula_units_Z            4
_cell_volume                     145.527
_database_code_amcsd             0019002
_exptl_crystal_density_diffrn    2.753
_cod_original_formula_sum        'Mg O H F'
_cod_database_code               9015333
_amcsd_formula_title             Mg(OH)F
The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system
Kasper, J. S.; Acta Metallurgica 2 (1954) 456–461; doi:10.1016/0001-6160(54)90066-8

data_9015334
_publ_section_title
;
 The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system
;
_journal_name_full               'Acta Metallurgica'
_journal_page_first              456
_journal_page_last               461
_journal_paper_doi               10.1016/0001-6160(54)90066-8
_journal_volume                  2
_journal_year                    1954
_chemical_formula_sum            'Cr6 Fe18 Mo5'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.92
_cell_length_b                   8.92
_cell_length_c                   8.92
_cell_formula_units_Z            2
_cell_volume                     709.732
_database_code_amcsd             0017755
_exptl_crystal_density_diffrn    8.408
_cod_original_formula_sum        '(Cr6 Fe18) Mo5'
_cod_database_code               9015334
_amcsd_formula_title             Cr6Fe18Mo5
Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite
Ma, C.; Beckett, J. R.; Rossman, G. R.; American Mineralogist 97 (2012) 1226–1233; doi:10.2138/am.2012.4110

data_9015335
_publ_section_title
;
 Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1226
_journal_page_last               1233
_journal_paper_doi               10.2138/am.2012.4110
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Zaklodzie, Poland'
_chemical_formula_sum            'Fe0.46 Mg0.04 Mn0.16 S Zn0.32'
_chemical_name_mineral           Buseckite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.8357
_cell_length_b                   3.8357
_cell_length_c                   6.3002
_cell_formula_units_Z            2
_cell_volume                     80.274
_database_code_amcsd             0019081
_exptl_crystal_density_diffrn    3.659
_cod_original_formula_sum        'Fe.46 Zn.32 Mn.16 Mg.04 S'
_cod_database_code               9015335
Die Kristallstrukturen einiger Hexachlorokomplexsalze. _cod_database_code 1010174
Engel, G.; Zeitschrift fur Kristallographie 90 (1935) 341–373; doi:

data_9015336
_publ_section_title
;
 Die Kristallstrukturen einiger Hexachlorokomplexsalze.
 _cod_database_code 1010174
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              341
_journal_page_last               373
_journal_volume                  90
_journal_year                    1935
_chemical_formula_sum            'Cl6 N2 Sn'
_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                   10.038
_cell_length_b                   10.038
_cell_length_c                   10.038
_cell_formula_units_Z            4
_cell_volume                     1011.443
_database_code_amcsd             0017110
_exptl_crystal_density_diffrn    2.360
_cod_duplicate_entry             1010174
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Sn N2 Cl6'
_cod_database_code               9015336
_amcsd_formula_title             'Cl6 H8 N2 Sn'
Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan
Yu, Z.; Acta Petrologica Mineralogica et Analytica 3 (1984) 231–238; doi:

data_9015337
_publ_section_title
;
 Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan
;
_journal_name_full               'Acta Petrologica Mineralogica et Analytica'
_journal_page_first              231
_journal_page_last               238
_journal_volume                  3
_journal_year                    1984
_chemical_compound_source
'cosmic dust found in placers, Yanshan, China'
_chemical_formula_sum            'Fe2.97 Mn0.024 Ni0.027 Si'
_chemical_name_mineral           Gupeite
_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                   5.670
_cell_length_b                   5.670
_cell_length_c                   5.670
_cell_formula_units_Z            4
_cell_volume                     182.284
_database_code_amcsd             0019594
_exptl_crystal_density_diffrn    7.173
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe2.97 Ni.027 Mn.024 Si'
_cod_database_code               9015337
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000
Knight, K. S.; Henderson, C. M. B.; Clark, S. M.; European Journal of Mineralogy 22 (2010) 411–423; doi:10.1127/0935-1221/2010/0022-2025

data_9015338
_publ_section_title
;
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = 1.000
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              411
_journal_page_last               423
_journal_paper_doi               10.1127/0935-1221/2010/0022-2025
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cu O10 Si4'
_chemical_name_mineral           Effenbergerite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.43602
_cell_length_b                   7.43602
_cell_length_c                   16.1302
_cell_formula_units_Z            4
_cell_volume                     891.910
_database_code_amcsd             0018775
_exptl_crystal_density_diffrn    3.524
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ba Cu Si4 O10'
_cod_database_code               9015338
Structures comparees de (NH4)2AsCr3O12(OH) et Cs2AsCr3O12(OH): tendance a la formation d'une charpente tridimensionelle par association d'heteropolyanions _cod_database_code 1001560
Goreaud, M.; Journal of Solid State Chemistry 102 (1993) 236–241; doi:10.1006/jssc.1993.1027

data_9015339
_publ_section_title
;
 Structures comparees de (NH4)2AsCr3O12(OH) et
 Cs2AsCr3O12(OH): tendance a la formation d'une charpente
 tridimensionelle par association d'heteropolyanions
 _cod_database_code 1001560
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              236
_journal_page_last               241
_journal_paper_doi               10.1006/jssc.1993.1027
_journal_volume                  102
_journal_year                    1993
_chemical_formula_sum            'As Cr3 Cs2 O13'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.006
_cell_angle_gamma                90
_cell_length_a                   10.544
_cell_length_b                   8.098
_cell_length_c                   15.362
_cell_formula_units_Z            4
_cell_volume                     1308.484
_database_code_amcsd             0013762
_exptl_crystal_density_diffrn    3.577
_cod_duplicate_entry             1001560
_cod_original_formula_sum        'Cs2 As Cr3 O13'
_cod_database_code               9015339
_amcsd_formula_title             'As Cr3 Cs2 H O13'
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9
Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.; European Journal of Mineralogy 24 (2012) 839–850; doi:10.1127/0935-1221/2012/0024-2228

data_9015340
_publ_section_title
;
 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH:
 evidence from spectroscopy and ab initio simulations
 Sample: Run LT9
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              839
_journal_page_last               850
_journal_paper_doi               10.1127/0935-1221/2012/0024-2228
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'synthetic at 4.0 GPa and 600 deg C for 24 hours'
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Guyanaite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8623
_cell_length_b                   4.2972
_cell_length_c                   2.9567
_cell_formula_units_Z            2
_cell_volume                     61.778
_database_code_amcsd             0019391
_exptl_crystal_density_diffrn    4.570
_cod_original_formula_sum        'Cr O2 H'
_cod_database_code               9015340