LMucko/crystallography-open-database huggingface dataset:
Lead-tellurium oxysalts from Otto Mountain near Baker, California: VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets
Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; American Mineralogist 98 (2013) 506–511; doi:10.2138/am.2013.4218

data_9016519
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California:
 VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              506
_journal_page_last               511
_journal_paper_doi               10.2138/am.2013.4218
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Otto Mountain near Baker, California, USA'
_chemical_formula_sum            'Cl5 Cu6 H7 O13 Pb3 Te'
_chemical_name_mineral           Fuettererite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.4035
_cell_length_b                   8.4035
_cell_length_c                   44.681
_cell_formula_units_Z            6
_cell_volume                     2732.587
_database_code_amcsd             0019763
_exptl_crystal_density_diffrn    5.552
_cod_original_cell_volume        2732.586
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Pb3 Cu6 Te O13 H7 Cl5'
_cod_database_code               9016519
Die Struktur von Karinthin und einer barroisitischen Hornblende Note: this is not a good structure
Heritsch, H.; Paulitsch, P.; Walitzi, E. M.; Tschermaks Mineralogische und Petrographische Mitteilungen 6 (1957) 215–222; doi:

data_9016520
_publ_section_title
;
 Die Struktur von Karinthin und einer barroisitischen Hornblende
 Note: this is not a good structure
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              215
_journal_page_last               222
_journal_volume                  6
_journal_year                    1957
_chemical_formula_sum            'Al2 Ca H2 Mg3 Na O24 Si8'
_chemical_name_mineral           Barroisite
_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                 106.75
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.90
_cell_length_b                   18.04
_cell_length_c                   5.33
_cell_volume                     911.528
_database_code_amcsd             0019554
_exptl_crystal_density_diffrn    2.917
_cod_original_formula_sum        'Na Ca Al2 Mg3 Si8 O24 H2'
_cod_database_code               9016520
Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype of brochantite Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite
Mills, S. J.; Kampf, A. R.; Pasero, M.; Merlino, S.; European Journal of Mineralogy 22 (2010) 453–457; doi:10.1127/0935-1221/2010/0022-2029

data_9016521
_publ_section_title
;
 Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype
 of brochantite
 Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              453
_journal_page_last               457
_journal_paper_doi               10.1127/0935-1221/2010/0022-2029
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        'Douglas Hill mine, Yerington, Nevada, USA'
_chemical_formula_sum            'Cu4 H6 O10 S'
_chemical_name_mineral           Brochantite
_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                 103.255
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1117
_cell_length_b                   9.8654
_cell_length_c                   6.0307
_cell_volume                     759.302
_database_code_amcsd             0018378
_exptl_crystal_density_diffrn    3.904
_cod_depositor_comments
;
 Adding Z value so that calculated formula is computed
;
_cod_original_formula_sum        'Cu4 S O10'
_cod_database_code               9016521
A zeolitic mixed valence molybdenum monophosphate with a tunnel structure: Cs8+x (Mo O4) Mo12 O18 (P O4)10 .(H2 O) _cod_database_code 1001630
Hoareau, T.; Leclaire, A.; Borel, M.; Grandin, A.; Raveau, B.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 727–737; doi:

data_9016522
_publ_section_title
;
 A zeolitic mixed valence molybdenum monophosphate with a tunnel
 structure: Cs8+x (Mo O4) Mo12 O18 (P O4)10 .(H2 O)
 _cod_database_code 1001630
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              727
_journal_page_last               737
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Cs8.351 Mo13 O63 P10'
_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                   16.67799
_cell_length_b                   16.67799
_cell_length_c                   12.717
_cell_formula_units_Z            2
_cell_volume                     3063.393
_database_code_amcsd             0012591
_exptl_crystal_density_diffrn    3.984
_cod_duplicate_entry             1001630
_cod_original_formula_sum        'Cs8.351 Mo13 P10 O63'
_cod_database_code               9016522
_amcsd_formula_title             'Cs8.35 H2 Mo13 O63 P10'
Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 90 K
Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D.; Journal of Physics: Condensed Matter 20 (2008) 452201_1–452201_5; doi:

data_9016523
_publ_section_title
;
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 90 K
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              452201_1
_journal_page_last               452201_5
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Fe2 Sr'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5783
_cell_length_b                   5.5175
_cell_length_c                   12.2965
_cell_formula_units_Z            4
_cell_volume                     378.465
_database_code_amcsd             0018355
_exptl_crystal_density_diffrn    6.128
_cod_original_formula_sum        'Sr Fe2 As2'
_cod_database_code               9016523
_amcsd_formula_title             SrFe2As2
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: P = 2.2 GPa
Hazen, R. M.; Finger, L. W.; Journal of Applied Physics 59 (1986) 3728–3733; doi:10.1063/1.336756

data_9016524
_publ_section_title
;
 High-pressure and high-temperature crystal chemistry of beryllium oxide
 Note: P = 2.2 GPa
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              3728
_journal_page_last               3733
_journal_paper_doi               10.1063/1.336756
_journal_volume                  59
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_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                   2.6883
_cell_length_b                   2.6883
_cell_length_c                   4.3614
_cell_formula_units_Z            2
_cell_volume                     27.297
_database_code_amcsd             0019181
_exptl_crystal_density_diffrn    3.043
_cod_database_code               9016524
A new vanadium III potassium phosphate with a cage structure: K6V2P4O16 _cod_database_code 1001477
Benhamada, L.; Grandin, A.; Borel, M.; Leclaire, A.; Raveau, B.; Journal of Solid State Chemistry 91 (1991) 264–270; doi:10.1016/0022-4596(91)90080-2

data_9016525
_publ_section_title
;
 A new vanadium III potassium phosphate with a cage structure:
 K6V2P4O16
 _cod_database_code 1001477
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              264
_journal_page_last               270
_journal_paper_doi               10.1016/0022-4596(91)90080-2
_journal_volume                  91
_journal_year                    1991
_chemical_formula_sum            'K3 O8 P2 V'
_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                 121.67
_cell_angle_gamma                90
_cell_length_a                   9.578
_cell_length_b                   11.097
_cell_length_c                   18.127
_cell_formula_units_Z            8
_cell_volume                     1639.758
_database_code_amcsd             0013708
_exptl_crystal_density_diffrn    2.902
_cod_duplicate_entry             1001477
_cod_original_cell_volume        1639.759
_cod_original_formula_sum        'V K3 P2 O8'
_cod_database_code               9016525
_amcsd_formula_title             'K6 O16 P4 V2'
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 = 113 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_9016526
_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 = 113 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                   4.9594
_cell_length_b                   7.9893
_cell_length_c                   5.7584
_cell_formula_units_Z            4
_cell_volume                     228.160
_database_code_amcsd             0017830
_exptl_crystal_density_diffrn    2.914
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9016526
Structural investigations on bismuth-based oxides _cod_database_code 1004071
Boivin, J.; Thomas, D.; Solid State Ionics 3 (1981) 457–462; doi:

data_9016527
_publ_section_title
;
 Structural investigations on bismuth-based oxides
 _cod_database_code 1004071
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              457
_journal_page_last               462
_journal_volume                  3
_journal_year                    1981
_chemical_formula_sum            'Bi2.295 O4 Sr0.706'
_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                   3.971
_cell_length_b                   3.971
_cell_length_c                   28.41
_cell_formula_units_Z            3
_cell_volume                     387.973
_database_code_amcsd             0015498
_exptl_crystal_density_diffrn    7.774
_cod_duplicate_entry             1004071
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Sr.706 Bi2.295 O4'
_cod_database_code               9016527
_amcsd_formula_title             'Bi1.72 O3 Sr0.53'
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A Comparison with Antiferromagnetic Ba La Zn Ru O6 _cod_database_code 1001398
Battle, P.; Gibb, T.; Jones, C.; Studer, F.; Journal of Solid State Chemistry 78 (1989) 281–293; doi:10.1016/0022-4596(89)90109-6

data_9016528
_publ_section_title
;
 Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A
 Comparison with Antiferromagnetic Ba La Zn Ru O6
 _cod_database_code 1001398
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               293
_journal_paper_doi               10.1016/0022-4596(89)90109-6
_journal_volume                  78
_journal_year                    1989
_chemical_formula_sum            'Ba0.5 La0.5 O3 Ru0.5 Zn0.5'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.077
_cell_angle_gamma                90
_cell_length_a                   5.6364
_cell_length_b                   5.6621
_cell_length_c                   7.9686
_cell_formula_units_Z            4
_cell_volume                     254.309
_database_code_amcsd             0013639
_exptl_crystal_density_diffrn    7.035
_cod_duplicate_entry             1001398
_cod_original_formula_sum        '(Ba.5 La.5) (Zn.5 Ru.5) O3'
_cod_database_code               9016528
_amcsd_formula_title             'Ba La O6 Ru Zn'
Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3 _cod_database_code 1007262
Averbuch-Pouchot M; Durif, A.; Zeitschrift fur Kristallographie 180 (1987) 195–202; doi:

data_9016529
_publ_section_title
;
 Crystal data and structure of Nb2 Co (P2 O7)3 and Nb2 Mg (P2 O7)3
 _cod_database_code 1007262
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              195
_journal_page_last               202
_journal_volume                  180
_journal_year                    1987
_chemical_formula_sum            'Mg0.327 Nb0.673 O7 P2'
_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                 90.51
_cell_angle_gamma                90
_cell_length_a                   15.36
_cell_length_b                   7.930
_cell_length_c                   6.487
_cell_formula_units_Z            6
_cell_volume                     790.116
_database_code_amcsd             0015943
_exptl_crystal_density_diffrn    3.082
_cod_duplicate_entry             1007262
_cod_original_formula_sum        '(Nb.673 Mg.327) P2 O7'
_cod_database_code               9016529
_amcsd_formula_title             'Mg0.98 Nb2.02 O21 P6'
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit
Wierzbicka-Wieczorek M; Kolitsch, U.; Tillmanns, E.; European Journal of Mineralogy 22 (2010) 245–258; doi:10.1127/0935-1221/2010/0022-1969

data_9016530
_publ_section_title
;
 Synthesis and structural study of five new trisilicates, BaREE2Si3O10
 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10,
 including a review on the geometry of the Si3O10 unit
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              245
_journal_page_last               258
_journal_paper_doi               10.1127/0935-1221/2010/0022-1969
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O10 Si3 Sr Y2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.42
_cell_angle_beta                 86.37
_cell_angle_gamma                88.37
_cell_length_a                   6.757
_cell_length_b                   6.885
_cell_length_c                   9.273
_cell_formula_units_Z            2
_cell_volume                     410.405
_database_code_amcsd             0017778
_exptl_crystal_density_diffrn    4.124
_cod_original_formula_sum        'Sr Y2 Si3 O10'
_cod_database_code               9016530
_amcsd_formula_title             SrY2Si3O10
Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite Note: atomic parameters from ICSD
Tjy, C. T. L.; Nadezhina, T. N.; Pobedimskaya, E. A.; Khomyakov, A. P.; Mineralogiceskij Zhurnal 6 (1984) 79–84; doi:

data_9016531
_publ_section_title
;
 Crystal chemical characteristics of bradleyite, sidorenkite and bonshtedtite
 Note: atomic parameters from ICSD
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              79
_journal_page_last               84
_journal_volume                  6
_journal_year                    1984
_chemical_formula_sum            'C Fe Na3 O7 P'
_chemical_name_mineral           Bonshtedtite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.45
_cell_length_a                   8.955
_cell_length_b                   5.149
_cell_length_c                   6.629
_cell_formula_units_Z            2
_cell_volume                     305.649
_database_code_amcsd             0018485
_exptl_crystal_density_diffrn    3.040
_cod_original_formula_sum        'Na3 Fe P C O7'
_cod_database_code               9016531
Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline
Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; American Mineralogist 90 (2005) 481–487; doi:10.2138/am.2005.1683

data_9016532
_publ_section_title
;
 Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from
 Austria: Structure, chemistry, and infrared and optical spectroscopic study
 Sample: REDT4
 Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6
 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04]
 Tourmaline
;
_journal_name_full               'American Mineralogist'
_journal_page_first              481
_journal_page_last               487
_journal_paper_doi               10.2138/am.2005.1683
_journal_volume                  90
_journal_year                    2005
_chemical_compound_source        'Eibenstein an der Thaya, Lower Austria'
_chemical_formula_sum
'Al8.601 B3.24 Ca0.01 F0.04 Fe0.039 H2.899 Li0.321 Mn0.279 Na0.46 O30.96 Si5.508 Ti0.012'
_chemical_name_mineral           Rossmanite
_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                   15.8171
_cell_length_b                   15.8171
_cell_length_c                   7.0935
_cell_volume                     1536.898
_database_code_amcsd             0003739
_exptl_crystal_density_diffrn    3.086
_cod_original_cell_volume        1536.897
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.46 Ca.01 Al8.601 Li.321 Mn.279 Fe.039 Ti.012 Si5.508 B3.24 O30.96 F.04 H2.899'
_cod_database_code               9016532
Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
Ballirano, P.; Bosi, F.; American Mineralogist 97 (2012) 630–640; doi:10.2138/am.2012.3898

data_9016533
_publ_section_title
;
 Thermal behavior of afghanite, an ABABACAC member of the cancrinite group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              630
_journal_page_last               640
_journal_paper_doi               10.2138/am.2012.3898
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Case Collina, Latium, Italy'
_chemical_formula_sum            'Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12'
_chemical_name_mineral           Afghanite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.7961
_cell_length_b                   12.7961
_cell_length_c                   21.4094
_cell_volume                     3035.920
_database_code_amcsd             0018843
_exptl_crystal_density_diffrn    2.532
_cod_original_cell_volume        3035.921
_cod_original_formula_sum        'Na7.5 K2.505 Ca5.515 Si12 Al12 O60 S3 Cl3'
_cod_database_code               9016533
Langbanshyttanite, a new low-temperature arsenate mineral with a novel structure from Langban, Sweden
Chukanov, N. V.; Pekov, I. V.; Johsson, E.; Zubkova, N. V.; Filinchuk, Y. E.; Belakovskiy, D. I.; Pushcharovsky, D. Y.; European Journal of Mineralogy 23 (2011) 675–681; doi:10.1127/0935-1221/2011/0023-2120

data_9016534
_publ_section_title
;
 Langbanshyttanite, a new low-temperature arsenate mineral with a
 novel structure from Langban, Sweden
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              675
_journal_page_last               681
_journal_paper_doi               10.1127/0935-1221/2011/0023-2120
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'As2 H16 Mg Mn2 O18 Pb2'
_chemical_name_mineral           Langbanshyttanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.656
_cell_angle_beta                 82.029
_cell_angle_gamma                88.728
_cell_formula_units_Z            1
_cell_length_a                   5.0528
_cell_length_b                   5.7671
_cell_length_c                   14.617
_cell_volume                     420.583
_database_code_amcsd             0018642
_exptl_crystal_density_diffrn    3.958
_cod_original_formula_sum        'Pb2 Mn2 Mg As2 O18 H16'
_cod_database_code               9016534