LMucko/crystallography-open-database huggingface dataset:
The crystal structure of LiNb3O8 Note: isostructural with lithiotantite
Lundberg, M.; Acta Chemica Scandinavica 25 (1971) 3337–3346; doi:10.3891/acta.chem.scand.25-3337

data_9015591
_publ_section_title
;
 The crystal structure of LiNb3O8
 Note: isostructural with lithiotantite
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              3337
_journal_page_last               3346
_journal_paper_doi               10.3891/acta.chem.scand.25-3337
_journal_volume                  25
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li Nb3 O8'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.34
_cell_angle_gamma                90
_cell_length_a                   15.262
_cell_length_b                   5.033
_cell_length_c                   7.457
_cell_formula_units_Z            4
_cell_volume                     546.767
_database_code_amcsd             0017480
_exptl_crystal_density_diffrn    5.025
_cod_original_formula_sum        'Nb3 Li O8'
_cod_database_code               9015591
_amcsd_formula_title             LiNb3O8
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure
Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W.; Mineralogical Magazine 76 (2012) 75–90; doi:10.1180/minmag.2012.076.1.75

data_9015592
_publ_section_title
;
 Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl
 niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil:
 description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              75
_journal_page_last               90
_journal_paper_doi               10.1180/minmag.2012.076.1.75
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Jaguaracu, Minas Gerais, Brazil'
_chemical_formula_sum
'Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44'
_chemical_name_mineral           Carlosbarbosaite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.150
_cell_length_b                   10.395
_cell_length_c                   7.529
_cell_volume                     1107.435
_database_code_amcsd             0018664
_exptl_crystal_density_diffrn    4.704
_cod_original_formula_sum
'U1.44 (Nb.8 Ta.52 Si.26 Ti.22 Al.1 Fe.1) Ca.28 Nd.02 Ce.02 O14 H6'
_cod_database_code               9015592
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 = 318 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_9015593
_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 = 318 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           Aragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9693
_cell_length_b                   8.0234
_cell_length_c                   5.8037
_cell_formula_units_Z            4
_cell_volume                     231.397
_database_code_amcsd             0017840
_exptl_crystal_density_diffrn    2.873
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015593
A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg volcano near Mayen, Eifel district, Germany
Galuskin, E. V.; Kusz, J.; Armbruster, T.; Bailau, R.; Galuskina, I. O.; Ternes, B.; Murashko, M.; Mineralogical Magazine 76 (2012) 707–716; doi:10.1180/minmag.2012.076.3.18

data_9015594
_publ_section_title
;
 A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg
 volcano near Mayen, Eifel district, Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              707
_journal_page_last               716
_journal_paper_doi               10.1180/minmag.2012.076.3.18
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source
'Ettringer Bellerberg volcano near Mayen, Eifel district, Germany'
_chemical_formula_sum            'Al6.772 Ca6 Cl0.624 Fe0.228 O16.748'
_chemical_name_mineral           Mayenite
_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                   12.0320
_cell_length_b                   12.0320
_cell_length_c                   12.0320
_cell_formula_units_Z            4
_cell_volume                     1741.861
_database_code_amcsd             0018992
_exptl_crystal_density_diffrn    2.768
_cod_original_formula_sum        'Ca6 Al6.772 Fe.228 O16.748 Cl.624'
_cod_database_code               9015594
The decomposition of konyaite: importance in CO2 fixation in mine tailings
Mills, S. J.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Mineralogical Magazine 74 (2010) 903–917; doi:10.1180/minmag.2010.074.5.903

data_9015595
_publ_section_title
;
 The decomposition of konyaite: importance in CO2 fixation in mine tailings
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              903
_journal_page_last               917
_journal_paper_doi               10.1180/minmag.2010.074.5.903
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H10 Mg Na2 O13 S2'
_chemical_name_mineral           Konyaite
_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                 95.288
_cell_angle_gamma                90
_cell_length_a                   5.7594
_cell_length_b                   23.914
_cell_length_c                   8.0250
_cell_formula_units_Z            4
_cell_volume                     1100.582
_database_code_amcsd             0017884
_exptl_crystal_density_diffrn    2.127
_cod_original_cell_volume        1100.581
_cod_original_formula_sum        'Na2 Mg S2 O13 H10'
_cod_database_code               9015595
The size, atomic charges, and motion of the sulfate radical of symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2
Sakamoto, Y.; Journal of Science of the Hiroshima University, Series A-II: Physics and Chemistry 32 (1968) 101–108; doi:

data_9015596
_publ_section_title
;
 The size, atomic charges, and motion of the sulfate radical of
 symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2
;
_journal_name_full
'Journal of Science of the Hiroshima University, Series A-II: Physics and Chemistry'
_journal_page_first              101
_journal_page_last               108
_journal_volume                  32
_journal_year                    1968
_chemical_compound_source        'not provided'
_chemical_formula_sum            'Cl F Na6 O8 S2'
_chemical_name_mineral           Sulphohalite
_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                   10.071
_cell_length_b                   10.071
_cell_length_c                   10.071
_cell_formula_units_Z            4
_cell_volume                     1021.452
_database_code_amcsd             0018630
_exptl_crystal_density_diffrn    2.500
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na6 S2 O8 Cl F'
_cod_database_code               9015596
On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]: a single-crystal neutron diffraction study at 300 and 20 K Note: neutron diffraction study at T = 300 K
Gatta, G. D.; Vignola, P.; McIntyre, G. J.; Diella, V.; American Mineralogist 95 (2010) 1467–1472; doi:10.2138/am.2010.3554

data_9015597
_publ_section_title
;
 On the crystal chemistry of londonite [(Cs,K,Rb)Al4Be5B11O28]:
 a single-crystal neutron diffraction study at 300 and 20 K
 Note: neutron diffraction study at T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1467
_journal_page_last               1472
_journal_paper_doi               10.2138/am.2010.3554
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Antsongombato Gem mine, Betafo district, Madagascar'
_chemical_formula_sum            'Al4 B10.68 Be5.32 Cs0.34 K0.34 O28 Rb0.17'
_chemical_name_mineral           Londonite
_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                   7.3098
_cell_length_b                   7.3098
_cell_length_c                   7.3098
_cell_formula_units_Z            1
_cell_volume                     390.586
_database_code_amcsd             0017717
_exptl_crystal_density_diffrn    3.369
_cod_original_formula_sum        'Cs.34 K.34 Rb.17 Al4 (Be5.32 B10.68) O28'
_cod_database_code               9015597
Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate, New England, Australia
Orlandi, P.; Demartin, F.; Pasero, M.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; American Mineralogist 96 (2011) 268–273; doi:10.2138/am.2011.3597

data_9015598
_publ_section_title
;
 Gelosaite, BiMo6+(2-5x)Mo5+6xO7(OH)*H2O (0<=x<=0.4), a new mineral from
 Su Senargiu (CA), Sardinia, Italy, and a second occurrence from Kingsgate,
 New England, Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              268
_journal_page_last               273
_journal_paper_doi               10.2138/am.2011.3597
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Su Senargiu, Sardinia, Italy'
_chemical_formula_sum            'Bi H3 Mo2.102 O9'
_chemical_name_mineral           Gelosaite
_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                 100.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8505
_cell_length_b                   9.0421
_cell_length_c                   13.9173
_cell_volume                     724.095
_database_code_amcsd             0018668
_exptl_crystal_density_diffrn    5.115
_cod_original_formula_sum        'Bi Mo2.102 O9 H3'
_cod_database_code               9015598
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 32008
Grice, J. D.; Ercit, T. S.; Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245–266; doi:

data_9015599
_publ_section_title
;
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Dravite 32008
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              245
_journal_page_last               266
_journal_volume                  165
_journal_year                    1993
_chemical_compound_source
'Bronson Station, Hastings Co., Ontario, Canada'
_chemical_formula_sum
'Al5.47 B3 Ca0.35 F0.44 Fe1.1 H3.21 Li0.039 Mg2.35 Na0.55 O30.56 Si5.98 Ti0.05'
_chemical_name_mineral           Fluor-dravite
_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_length_a                   15.981
_cell_length_b                   15.981
_cell_length_c                   7.210
_cell_formula_units_Z            3
_cell_volume                     1594.681
_database_code_amcsd             0018790
_exptl_crystal_density_diffrn    3.113
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.55 Ca.35 Mg2.35 Li.039 Fe1.1 Al5.47 Ti.05 Si5.98 B3 F.44 O30.56 H3.21'
_cod_database_code               9015599
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K
Ye, Y.; Smyth, J. R.; Boni, P.; American Mineralogist 97 (2012) 707–712; doi:10.2138/am.2012.3923

data_9015600
_publ_section_title
;
 Crystal structure and thermal expansion of aragonite-group carbonates
 by single-crystal X-ray diffraction
 Note: T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              707
_journal_page_last               712
_journal_paper_doi               10.2138/am.2012.3923
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Dreisteinfurt, Westphalia, Germany'
_chemical_formula_sum            'C Ca0.147 O3 Sr0.853'
_chemical_name_mineral           Strontianite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0914
_cell_length_b                   8.3519
_cell_length_c                   5.9901
_cell_formula_units_Z            4
_cell_volume                     254.716
_database_code_amcsd             0018858
_exptl_crystal_density_diffrn    3.667
_cod_original_formula_sum        '(Sr.853 Ca.147) C O3'
_cod_database_code               9015600
Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in terms of oxocentred OPb4 tetrahedra
Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Mineralogical Magazine 72 (2008) 793–798; doi:10.1180/minmag.2008.072.3.793

data_9015601
_publ_section_title
;
 Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in
 terms of oxocentred OPb4 tetrahedra
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              793
_journal_page_last               798
_journal_paper_doi               10.1180/minmag.2008.072.3.793
_journal_volume                  72
_journal_year                    2008
_chemical_compound_source        'Merehead Quarry, Somerset, England'
_chemical_formula_sum            'Cl2 Cu H2 O4 Pb3'
_chemical_name_mineral           Chloroxiphite
_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                 97.747
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.6972
_cell_length_b                   5.7538
_cell_length_c                   10.4686
_cell_volume                     399.719
_database_code_amcsd             0019224
_exptl_crystal_density_diffrn    6.830
_cod_original_formula_sum        'Pb3 Cu O4 Cl2 H2'
_cod_database_code               9015601
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q4, treated at 600 C for 200 min
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015602
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim20_q4, treated at 600 C for 200 min
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe Nb0.13 O6 Ta1.87'
_chemical_name_mineral           Tapiolite-(Fe)
_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                90
_cell_length_a                   4.7509
_cell_length_b                   4.7509
_cell_length_c                   9.2812
_cell_formula_units_Z            2
_cell_volume                     209.486
_database_code_amcsd             0018716
_exptl_crystal_density_diffrn    7.963
_cod_original_formula_sum        'Fe Ta1.87 Nb.13 O6'
_cod_database_code               9015602
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L17, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9015603
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L17, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.296 B3 Ca0.645 F0.714 Fe0.009 H3.285 Li1.557 Mn0.03 Na0.282 O30.285 Pb0.009 Si6 Ti0.006'
_chemical_name_mineral           Fluor-liddicoatite
_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_length_a                   15.8337
_cell_length_b                   15.8337
_cell_length_c                   7.1023
_cell_formula_units_Z            3
_cell_volume                     1542.036
_database_code_amcsd             0018429
_exptl_crystal_density_diffrn    3.058
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.645 Na.282 Pb.009 Ti.006 Al7.296 Fe.009 Mn.03 Li1.557 Si6 B3 F.714 O30.285 H3.285'
_cod_database_code               9015603
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P13-1, P = 39.05 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_9015604
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P13-1, P = 39.05 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                   4.523
_cell_length_b                   4.523
_cell_length_c                   13.40
_cell_formula_units_Z            6
_cell_volume                     237.404
_database_code_amcsd             0017574
_exptl_crystal_density_diffrn    4.862
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015604
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim1_q0, untreated
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015605
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim1_q0, untreated
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe Nb0.13 O6 Ta1.87'
_chemical_name_mineral           Tapiolite-(Fe)
_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                90
_cell_length_a                   4.7533
_cell_length_b                   4.7533
_cell_length_c                   9.2876
_cell_formula_units_Z            2
_cell_volume                     209.843
_database_code_amcsd             0018700
_exptl_crystal_density_diffrn    7.950
_cod_original_formula_sum        'Fe Ta1.87 Nb.13 O6'
_cod_database_code               9015605
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P23, P = 51.9 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_9015606
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P23, P = 51.9 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                   4.355
_cell_length_b                   4.355
_cell_length_c                   12.59
_cell_formula_units_Z            6
_cell_volume                     206.791
_database_code_amcsd             0017585
_exptl_crystal_density_diffrn    5.582
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015606