LMucko/crystallography-open-database huggingface dataset:
Metamorphic ultrahigh-pressure tourmaline: structure, chemistry, and correlations to P-T conditions
Ertl, A.; Marschall, H.; Geister, G.; Henry, D.; Schertl, H. P.; Ntaflos, T.; Luvizotto, G.; Nasdala, L.; Tillmanns, E.; American Mineralogist 95 (2010) 1–10; doi:10.2138/am.2010.3283

data_9014163
_publ_section_title
;
 Metamorphic ultrahigh-pressure tourmaline: structure,
 chemistry, and correlations to P-T conditions
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.2138/am.2010.3283
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Parigi, Dora Maira, Western Alps, Italy'
_chemical_formula_sum
'Al6.09 B3 Ca0.05 F0.28 Fe0.12 H6.72 K0.01 Mg2.679 Na0.9 O30.72 Si6 Ti0.03'
_chemical_name_mineral           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_formula_units_Z            3
_cell_length_a                   15.935
_cell_length_b                   15.935
_cell_length_c                   7.201
_cell_volume                     1583.535
_database_code_amcsd             0004996
_exptl_crystal_density_diffrn    3.036
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.9 Ca.05 K.01 Mg2.679 Al6.09 Fe.12 Ti.03 Si6 B3 O30.72 F.28 H6.72'
_cod_database_code               9014163
The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
Anderson, J. L.; Peterson, R. C.; Swainson, I.; American Mineralogist 97 (2012) 1905–1914; doi:10.2138/am.2012.4121

data_9014164
_publ_section_title
;
 The atomic structure of deuterated boyleite ZnSO4*4D2O,
 ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1905
_journal_page_last               1914
_journal_paper_doi               10.2138/am.2012.4121
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 Mn O8 S'
_chemical_name_mineral           Ilesite
_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                 90.826
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9753
_cell_length_b                   13.8186
_cell_length_c                   8.0461
_cell_volume                     664.300
_database_code_amcsd             0019608
_exptl_crystal_density_diffrn    2.230
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
        Water oxygen atoms renamed so that they are treated as oxygens
                                          miguel
;
_cod_original_formula_sum        'Mn S O8 H8'
_cod_database_code               9014164
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 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_9014165
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 46,161 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            'Al1.46 Fe0.539 Mg1.001 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                   8.1708
_cell_length_b                   8.1708
_cell_length_c                   8.1708
_cell_formula_units_Z            8
_cell_volume                     545.499
_database_code_amcsd             0019335
_exptl_crystal_density_diffrn    3.843
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.46 Mg1.001 Fe.539) O4'
_cod_database_code               9014165
Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: anhydrous beryl
Gibbs, G. V.; Breck, D. W.; Meagher, E. P.; Lithos 1 (1968) 275–285; doi:10.1016/S0024-4937(68)80044-1

data_9014166
_publ_section_title
;
 Structural refinement of hydrous and anhydrous synthetic beryl,
 Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18
 Note: anhydrous beryl
;
_journal_name_full               Lithos
_journal_page_first              275
_journal_page_last               285
_journal_paper_doi               10.1016/S0024-4937(68)80044-1
_journal_volume                  1
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Be3 O18 Si6'
_chemical_name_mineral           Beryl
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.212
_cell_length_b                   9.212
_cell_length_c                   9.187
_cell_formula_units_Z            2
_cell_volume                     675.169
_database_code_amcsd             0019466
_exptl_crystal_density_diffrn    2.644
_cod_original_formula_sum        'Al2 Be3 Si6 O18'
_cod_database_code               9014166
Structure de Li Ga Ti O4, nouveau type d'ordre dans les spinelles _cod_database_code 1008839
Bertaut, E.; Patrat, G.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 88 (1965) 586–589; doi:

data_9014167
_publ_section_title
;
 Structure de Li Ga Ti O4, nouveau type d'ordre dans les spinelles
 _cod_database_code 1008839
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              586
_journal_page_last               589
_journal_volume                  88
_journal_year                    1965
_chemical_formula_sum            'Ga3 Li3 O12 Ti3'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.862
_cell_length_b                   17.586
_cell_length_c                   8.29
_cell_formula_units_Z            4
_cell_volume                     854.609
_database_code_amcsd             0016707
_exptl_crystal_density_diffrn    4.396
_cod_duplicate_entry             1008839
_cod_original_formula_sum        'Ga3 Ti3 Li3 O12'
_cod_database_code               9014167
_amcsd_formula_title             'Ga Li O4 Ti'
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L26, 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_9014168
_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: L26, 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
'Al7.194 B3 Ca0.66 F0.432 Fe0.093 H3.567 Li1.647 Mn0.051 Na0.272 O30.567 Pb0.005 Si6 Ti0.009'
_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                   15.8368
_cell_length_b                   15.8368
_cell_length_c                   7.1014
_cell_formula_units_Z            3
_cell_volume                     1542.444
_database_code_amcsd             0018447
_exptl_crystal_density_diffrn    3.067
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.66 Na.272 Pb.005 Ti.009 Al7.194 Fe.093 Mn.051 Li1.647 Si6 B3 O30.567 F.432 H3.567'
_cod_database_code               9014168
The structure of rhombic sulphur _cod_database_code 1011160
Warren, B.; Burwell, J.; Journal of Chemical Physics 3 (1935) 6–8; doi:10.1063/1.1749557

data_9014169
_publ_section_title
;
 The structure of rhombic sulphur
 _cod_database_code 1011160
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6
_journal_page_last               8
_journal_paper_doi               10.1063/1.1749557
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            S8
_chemical_name_mineral           Sulfur
_space_group_IT_number           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.48
_cell_length_b                   12.92
_cell_length_c                   24.54999
_cell_formula_units_Z            16
_cell_volume                     3324.108
_database_code_amcsd             0018039
_exptl_crystal_density_diffrn    2.050
_cod_duplicate_entry             1011160
_cod_depositor_comments
;

2024-06-04
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            S
_cod_original_formula_units_Z            128
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               9014169
Localisation des cations monovalents dans les pyrochlores A B2 X6 (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallohraphique dans le cas du thallium _cod_database_code 1000169
Ory, G.; Fourquet, J.; Jacoboni, C.; Miranday, J.; de Pape, R.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747–750; doi:

data_9014170
_publ_section_title
;
 Localisation des cations monovalents dans les pyrochlores A B2 X6
 (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
 cristallohraphique dans le cas du thallium
 _cod_database_code 1000169
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              747
_journal_page_last               750
_journal_volume                  273
_journal_year                    1971
_chemical_formula_sum            'F0.5 Nb O2.5 Tl0.5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.506
_cell_length_b                   10.506
_cell_length_c                   10.506
_cell_formula_units_Z            16
_cell_volume                     1159.611
_database_code_amcsd             0012287
_exptl_crystal_density_diffrn    5.604
_cod_duplicate_entry             1000169
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Tl.5 Nb (O2.5 F.5)'
_cod_database_code               9014170
_amcsd_formula_title             TlNb2O5F
Crystal Structure of Na3 P O4 (H2 O).5 _cod_database_code 1007097
Averbuch-Pouchot M; Durif, A.; Journal of Solid State Chemistry 46 (1983) 193–196; doi:10.1016/0022-4596(83)90141-X

data_9014171
_publ_section_title
;
 Crystal Structure of Na3 P O4 (H2 O).5
 _cod_database_code 1007097
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              193
_journal_page_last               196
_journal_paper_doi               10.1016/0022-4596(83)90141-X
_journal_volume                  46
_journal_year                    1983
_chemical_formula_sum            'H2 Na6 O9 P2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.60
_cell_angle_gamma                90
_cell_length_a                   9.631
_cell_length_b                   5.416
_cell_length_c                   16.938
_cell_formula_units_Z            4
_cell_volume                     862.234
_database_code_amcsd             0013501
_exptl_crystal_density_diffrn    2.665
_cod_duplicate_entry             1007097
_cod_original_formula_sum        'P2 Na6 O9 H2'
_cod_database_code               9014171
_amcsd_formula_title             'H Na3 O4.5 P'
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 3.73 GPa Note: occupancies not refined
Olsen, L. A.; Balic Zunic, T.; Makovicky, E.; Inorganic Chemistry 47 (2008) 6756–6762; doi:10.1021/ic800380p

data_9014172
_publ_section_title
;
 High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced,
 reversible phase transition with migration of chemical bonds
 Note: P = 3.73 GPa
 Note: occupancies not refined
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6756
_journal_page_last               6762
_journal_paper_doi               10.1021/ic800380p
_journal_volume                  47
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pb3 S6'
_chemical_name_mineral           Lillianite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.216
_cell_length_b                   20.163
_cell_length_c                   4.03
_cell_formula_units_Z            4
_cell_volume                     1073.891
_database_code_amcsd             0018403
_exptl_crystal_density_diffrn    7.620
_cod_original_formula_sum        'Pb3 Bi2 S6'
_cod_database_code               9014172
Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate
Plasil, J.; Fejfarova, K.; Novak, M.; Dusek, M.; Skoda, R.; Hlousek, J.; Cejka, J.; Majzlan, J.; Sejkora, J.; Machovic, V.; Talla, D.; Mineralogical Magazine 75 (2011) 2739–2753; doi:10.1180/minmag.2011.075.6.2739

data_9014173
_publ_section_title
;
 Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic:
 the first natural U4+ sulphate
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2739
_journal_page_last               2753
_journal_paper_doi               10.1180/minmag.2011.075.6.2739
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Jachymov, Czech Republic'
_chemical_formula_sum            'H8 O12 S2 U'
_chemical_name_mineral           Behounekite
_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_formula_units_Z            4
_cell_length_a                   14.6464
_cell_length_b                   11.0786
_cell_length_c                   5.6910
_cell_volume                     923.431
_database_code_amcsd             0018561
_exptl_crystal_density_diffrn    3.612
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
                                          miguel
;
_cod_original_formula_sum        'U S2 O12 H8'
_cod_database_code               9014173
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 0.0001 GPa
Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.; Solid State Sciences 6 (2004) 673–678; doi:10.1016/j.solidstatesciences.2004.03.027

data_9014174
_publ_section_title
;
 Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3
 Note: P = 0.0001 GPa
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              673
_journal_page_last               678
_journal_paper_doi               10.1016/j.solidstatesciences.2004.03.027
_journal_volume                  6
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe5 Si3'
_chemical_name_mineral           Xifengite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.7522
_cell_length_b                   6.7522
_cell_length_c                   4.740
_cell_formula_units_Z            2
_cell_volume                     187.154
_database_code_amcsd             0019670
_exptl_crystal_density_diffrn    6.450
_cod_database_code               9014174
Structural studies of rutile-type metal dioxides
Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J.; Acta Crystallographica, Section B 53 (1997) 373–380; doi:10.1107/S0108768197001468

data_9014175
_publ_section_title
;
 Structural studies of rutile-type metal dioxides
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              373
_journal_page_last               380
_journal_paper_doi               10.1107/S0108768197001468
_journal_volume                  53
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_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                   4.9577
_cell_length_b                   4.9577
_cell_length_c                   3.3879
_cell_formula_units_Z            2
_cell_volume                     83.270
_database_code_amcsd             0019244
_exptl_crystal_density_diffrn    9.540
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9014175
Structural and magnetic behavour of Lu Fe2 Hx _cod_database_code 1008876
Pontonnier, L.; Fruchart, D.; Soubeyroux, J.; Triantafillidis, G.; Berthier, Y.; Journal of the Less-Common Metals 172 (1991) 191–197; doi:

data_9014176
_publ_section_title
;
 Structural and magnetic behavour of Lu Fe2 Hx
 _cod_database_code 1008876
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              191
_journal_page_last               197
_journal_volume                  172
_journal_year                    1991
_chemical_formula_sum            'Fe4 H5.565 Lu2'
_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                   10.980
_cell_length_b                   10.980
_cell_length_c                   13.089
_cell_formula_units_Z            12
_cell_volume                     1366.601
_database_code_amcsd             0016743
_exptl_crystal_density_diffrn    8.441
_cod_duplicate_entry             1008876
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Lu2 Fe4 H5.565'
_cod_database_code               9014176
_amcsd_formula_title             'Fe2 H2.8 Lu'
Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10
Leone, P.; Palvadeau, P.; Moelo, Y.; Chimie de l'etat Solide et Cristallochimie 3 (2000) 301–308; doi:

data_9014177
_publ_section_title
;
 Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium,
 fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10
;
_journal_name_full               'Chimie de l'etat Solide et Cristallochimie'
_journal_page_first              301
_journal_page_last               308
_journal_volume                  3
_journal_year                    2000
_chemical_compound_source
'Saint-Aubin-des-Chateaux, Loire-Atlantique, France'
_chemical_formula_sum
'Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08'
_chemical_name_mineral           Lulzacite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.47
_cell_angle_beta                 91.72
_cell_angle_gamma                97.44
_cell_formula_units_Z            1
_cell_length_a                   5.457
_cell_length_b                   9.131
_cell_length_c                   9.769
_cell_volume                     456.500
_database_code_amcsd             0018779
_exptl_crystal_density_diffrn    3.553
_cod_original_formula_sum
'(Sr1.92 Ba.08) (P3.92 V.08) Fe2.26 Al4 Mg.74 O26 H4'
_cod_database_code               9014177
The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9
Makovicky, E.; Petricek, V.; Dusek, M.; Topa, D.; American Mineralogist 96 (2011) 1686–1702; doi:10.2138/am.2011.3814

data_9014178
_publ_section_title
;
 The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1686
_journal_page_last               1702
_journal_paper_doi               10.2138/am.2011.3814
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'San Jose, Bolivia'
_chemical_formula_sum            'Fe0.43 Pb2.01 S6 Sn2.56'
_chemical_name_mineral           Franckeite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94.97
_cell_angle_beta                 88.45
_cell_angle_gamma                89.94
_cell_length_a                   5.805
_cell_length_b                   5.856
_cell_length_c                   17.338
_cell_formula_units_Z            2
_cell_volume                     586.955
_database_code_amcsd             0018603
_exptl_crystal_density_diffrn    5.300
_cod_original_formula_sum        'Sn2.56 Fe.43 S6 Pb2.01'
_cod_database_code               9014178