LMucko/crystallography-open-database huggingface dataset:
Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia
Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; European Journal of Mineralogy 22 (2010) 869–874; doi:10.1127/0935-1221/2010/0022-2063

data_9014777
_publ_section_title
;
 Stronadelphite, Sr5(PO4)3F, a new apatite-group mineral
 in the southern part of the Khibiny alkaline complex, Kola peninsula, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              869
_journal_page_last               874
_journal_paper_doi               10.1127/0935-1221/2010/0022-2063
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source
'Belovitovoye pegmatite, Kirovskii apatite mine at Mt. Kukisvumchorr,'
_chemical_formula_sum            'Ca0.2 F O12 P3 Sr4.8'
_chemical_name_mineral           Stronadelphite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.845
_cell_length_b                   9.845
_cell_length_c                   7.383
_cell_formula_units_Z            2
_cell_volume                     619.719
_database_code_amcsd             0017880
_exptl_crystal_density_diffrn    3.925
_cod_original_formula_sum        'Sr4.8 Ca.2 P3 O12 F'
_cod_database_code               9014777
The Crystal Structures of Barytes, Celestine and Anglesite
James, R. W.; Wood, W. A.; Proceedings of the Royal Society of London 109 (1925) 598–620; doi:

data_9014778
_publ_section_title
;
 The Crystal Structures of Barytes, Celestine and Anglesite
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full               'Proceedings of the Royal Society of London'
_journal_page_first              598
_journal_page_last               620
_journal_volume                  109
_journal_year                    1925
_chemical_formula_sum            'Pb S'
_chemical_name_mineral           Anglesite
_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                   8.45
_cell_length_b                   5.38
_cell_length_c                   6.93
_cell_volume                     315.045
_database_code_amcsd             0017670
_exptl_crystal_density_diffrn    5.044
_cod_duplicate_entry             1010950
_cod_depositor_comments
;
 Copied several data items from duplicate entry 1010950 and updated
 the bibliographic information.

 Antanas Vaitkus,
 2020-10-12
;
_cod_database_code               9014778
New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group
Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V.; European Journal of Mineralogy 24 (2012) 913–922; doi:10.1127/0935-1221/2012/0024-2217

data_9014779
_publ_section_title
;
 New nickel-uranium-arsenic mineral species from the oxidation zone of
 the Belorechenskoye deposit, Northern Caucasus, Russia: I.
 Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              913
_journal_page_last               922
_journal_paper_doi               10.1127/0935-1221/2012/0024-2217
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'Belorechenskoye deposit, Northern Caucasus, Russia'
_chemical_formula_sum            'As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2'
_chemical_name_mineral           Rauchite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                92.406
_cell_angle_beta                 94.924
_cell_angle_gamma                90.420
_cell_formula_units_Z            2
_cell_length_a                   7.100
_cell_length_b                   7.125
_cell_length_c                   19.955
_cell_volume                     1004.801
_database_code_amcsd             0019394
_exptl_crystal_density_diffrn    3.426
_cod_original_formula_sum        'U2 (As1.78 P.22) (Ni.69 Mg.31) O22 H20'
_cod_database_code               9014779
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) _cod_database_code 1001826
Ouchetto, K.; Archaimbault, F.; Choisnet, J.; Et-Tabirou M; Materials Chemistry and Physics 51 (1997) 117–124; doi:10.1016/S0254-0584(97)80279-9

data_9014780
_publ_section_title
;
 New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
 _cod_database_code 1001826
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              117
_journal_page_last               124
_journal_paper_doi               10.1016/S0254-0584(97)80279-9
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'Co0.5 La O3 Pt0.5'
_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                 90.
_cell_angle_gamma                90
_cell_length_a                   5.5722
_cell_length_b                   5.6459
_cell_length_c                   7.8906
_cell_formula_units_Z            4
_cell_volume                     248.239
_database_code_amcsd             0014213
_exptl_crystal_density_diffrn    8.399
_cod_duplicate_entry             1001826
_cod_original_formula_sum        'La (Co.5 Pt.5) O3'
_cod_database_code               9014780
_amcsd_formula_title             'Co La2 O6 Pt'
Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
Larson, A. C.; Cromer, D. T.; Acta Crystallographica 22 (1967) 793–800; doi:10.1107/S0365110X67001586

data_9014781
_publ_section_title
;
 Refinement of the alum structures. III. X-ray study of the a alums,
 K, Rb and NH4Al(SO4)2*12H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              793
_journal_page_last               800
_journal_paper_doi               10.1107/S0365110X67001586
_journal_volume                  22
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H24 O20 Rb S2'
_chemical_name_mineral           Alum-(Na)
_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_formula_units_Z            4
_cell_length_a                   12.243
_cell_length_b                   12.243
_cell_length_c                   12.243
_cell_volume                     1835.116
_database_code_amcsd             0019047
_exptl_crystal_density_diffrn    1.885
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Rb Al S2 O20 H24'
_cod_database_code               9014781
Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV) _cod_database_code 1000472
Benhamada, L.; Grandin, A.; Borel, M.; Leclaire, A.; Leblanc, M.; Raveau, B.; Journal of Solid State Chemistry 96 (1992) 390–396; doi:10.1016/S0022-4596(05)80273-7

data_9014782
_publ_section_title
;
 Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer
 structure and a pure pyramidal coordination of V(IV)
 _cod_database_code 1000472
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              390
_journal_page_last               396
_journal_paper_doi               10.1016/S0022-4596(05)80273-7
_journal_volume                  96
_journal_year                    1992
_chemical_formula_sum            'Na5 O15 P3 V2'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.134
_cell_angle_gamma                90
_cell_length_a                   6.3089
_cell_length_b                   20.10379
_cell_length_c                   5.1172
_cell_formula_units_Z            2
_cell_volume                     648.902
_database_code_amcsd             0013726
_exptl_crystal_density_diffrn    2.814
_cod_duplicate_entry             1000472
_cod_original_formula_sum        'V2 P3 Na5 O15'
_cod_database_code               9014782
_amcsd_formula_title             'H2 Na5 O15 P3 V2'
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 22.6 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_9014783
_publ_section_title
;
 Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3
 Note: P = 22.6 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                   6.5771
_cell_length_b                   6.5771
_cell_length_c                   4.593
_cell_formula_units_Z            2
_cell_volume                     172.066
_database_code_amcsd             0019680
_exptl_crystal_density_diffrn    7.016
_cod_database_code               9014783
Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile
Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M.; Mineralogical Magazine 76 (2012) 851–861; doi:10.1180/minmag.2012.076.4.03

data_9014784
_publ_section_title
;
 Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate
 from Alcaparrosa, Chile
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              851
_journal_page_last               861
_journal_paper_doi               10.1180/minmag.2012.076.4.03
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Alcaparrosa, Chile'
_chemical_formula_sum            'Fe H4 K3 O19 S4 Ti'
_chemical_name_mineral           Alcaparrosaite
_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                 94.076
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.55943
_cell_length_b                   16.7923
_cell_length_c                   12.1783
_cell_volume                     1542.006
_database_code_amcsd             0019768
_exptl_crystal_density_diffrn    2.831
_cod_original_formula_sum        'K3 (Ti Fe) S4 O19 H4'
_cod_database_code               9014784
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9014785
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 635 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.88 O4 Si0.96'
_chemical_name_mineral           Ringwoodite
_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                   8.0947
_cell_length_b                   8.0947
_cell_length_c                   8.0947
_cell_formula_units_Z            8
_cell_volume                     530.398
_database_code_amcsd             0018837
_exptl_crystal_density_diffrn    3.423
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.88 Si.96 O4'
_cod_database_code               9014785
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU82
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9014786
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU82
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.507 H4 O10 Si2 Sr0.493'
_chemical_name_mineral           Lawsonite
_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                 124.25
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3640
_cell_length_b                   13.2175
_cell_length_c                   5.8452
_cell_volume                     342.553
_database_code_amcsd             0018939
_exptl_crystal_density_diffrn    3.274
_cod_original_formula_sum        '(Ca.507 Sr.493) Al2 Si2 O10 H4'
_cod_database_code               9014786
Structure du monophosphate acide de potassium-zinc. KZn2H(PO4)2
Averbuch-Pouchot, M. T.; Acta Crystallographica, Section B 35 (1979) 1452–1454; doi:10.1107/S0567740879006695

data_9014787
_publ_section_title
;
 Structure du monophosphate acide de potassium-zinc. KZn2H(PO4)2
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1452
_journal_page_last               1454
_journal_paper_doi               10.1107/S0567740879006695
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'K O8 P2 Zn2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.67
_cell_angle_beta                 78.33
_cell_angle_gamma                76.09
_cell_length_a                   9.432
_cell_length_b                   8.907
_cell_length_c                   5.220
_cell_formula_units_Z            2
_cell_volume                     402.292
_database_code_amcsd             0015984
_exptl_crystal_density_diffrn    2.970
_cod_duplicate_entry             1008037
_cod_original_formula_sum        'Zn2 P2 K O8'
_cod_database_code               9014787
_amcsd_formula_title             ' KZn2H(PO4)2'
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle _cod_database_code 1010905
Teichert, W.; Klemm, W.; Zeitschrift fur Anorganische und Allgemeine Chemie 243 (1939) 86–98; doi:

data_9014788
_publ_section_title
;
 Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
 _cod_database_code 1010905
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              86
_journal_page_last               98
_journal_volume                  243
_journal_year                    1939
_chemical_formula_sum            'Rb S'
_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                   6.89
_cell_length_b                   6.89
_cell_length_c                   6.89
_cell_formula_units_Z            4
_cell_volume                     327.083
_database_code_amcsd             0017633
_exptl_crystal_density_diffrn    2.387
_cod_duplicate_entry             1010905
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9014788
_amcsd_formula_title             'H Rb S'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 17.59 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_9014789
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 17.59 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                   3.521
_cell_length_b                   3.521
_cell_length_c                   3.521
_cell_formula_units_Z            4
_cell_volume                     43.651
_database_code_amcsd             0019436
_exptl_crystal_density_diffrn    8.498
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9014789
Crystal structure of decasodium di-mue-arsenidobis(diarsenidosilicate) _cod_database_code 1008462
Eisenmann, B.; Klein, J.; Somer, M.; Zeitschrift fur Kristallographie 197 (1991) 267–268; doi:

data_9014790
_publ_section_title
;
 Crystal structure of decasodium di-mue-arsenidobis(diarsenidosilicate)
 _cod_database_code 1008462
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              267
_journal_page_last               268
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'As3 Na5 Si'
_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                 90.5
_cell_angle_gamma                90.
_cell_length_a                   13.466
_cell_length_b                   7.529
_cell_length_c                   8.177
_cell_formula_units_Z            4
_cell_volume                     828.998
_database_code_amcsd             0016366
_exptl_crystal_density_diffrn    2.947
_cod_duplicate_entry             1008462
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'Si As3 Na5'
_cod_database_code               9014790
_amcsd_formula_title             'As6 Na10 Si2'
Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure
Schmetzer, K.; Nuber, B.; Tremmel, G.; Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 393–403; doi:

data_9014791
_publ_section_title
;
 Betpakdalite from Tsumeb, Namibia: mineralogy, crystal chemistry and structure
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              393
_journal_page_last               403
_journal_volume                  1984
_journal_year                    1984
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'As2 Ca2 Fe3 H32.148 K0.602 Mo8 O53.074'
_chemical_name_mineral           Betpakdalite-CaCa
_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                 131.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.44
_cell_length_b                   11.096
_cell_length_c                   15.25
_cell_volume                     2472.056
_database_code_amcsd             0014792
_exptl_crystal_density_diffrn    2.781
_cod_original_cell_volume        2472.057
_cod_original_formula_sum        'K.602 O53.074 Ca2 Mo8 As2 Fe3 H32.148'
_cod_database_code               9014791
Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature _cod_database_code 1000446
Croguennec, L.; Deniard, P.; Brec, R.; Couzi, M.; Sourisseau, C.; Fourquet, J.; Calage, Y.; Journal of Solid State Chemistry 131 (1997) 189–197; doi:10.1006/jssc.1997.7269

data_9014792
_publ_section_title
;
 Structural and spectroscopic evidence for hydrogen bonding induced (N
 H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature
 _cod_database_code 1000446
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              189
_journal_page_last               197
_journal_paper_doi               10.1006/jssc.1997.7269
_journal_volume                  131
_journal_year                    1997
_chemical_formula_sum            'F5 Fe H4 N2'
_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                   6.3269
_cell_length_b                   7.6076
_cell_length_c                   10.9802
_cell_formula_units_Z            4
_cell_volume                     528.505
_database_code_amcsd             0013925
_exptl_crystal_density_diffrn    2.298
_cod_duplicate_entry             1000446
_cod_original_formula_sum        'N2 Fe F5 H4'
_cod_database_code               9014792
_amcsd_formula_title             'F5 Fe H8 N2'