LMucko/crystallography-open-database huggingface dataset:
Crystal structure refinement of synthetic Ca0.43Sr0.57[SiO3]-walstromite and walstromite-fluid Ca-Sr distribution at upper-mantle conditions
Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.; European Journal of Mineralogy 21 (2009) 705–714; doi:10.1127/0935-1221/2009/0021-1949

data_9013878
_publ_section_title
;
 Crystal structure refinement of synthetic Ca0.43Sr0.57[SiO3]-walstromite
 and walstromite-fluid Ca-Sr distribution at upper-mantle conditions
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              705
_journal_page_last               714
_journal_paper_doi               10.1127/0935-1221/2009/0021-1949
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.433 O3 Si Sr0.567'
_chemical_name_mineral           Walstromite-(Ca,Sr)
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.22
_cell_angle_beta                 76.83
_cell_angle_gamma                70.33
_cell_length_a                   6.7580
_cell_length_b                   9.464
_cell_length_c                   6.7507
_cell_formula_units_Z            6
_cell_volume                     395.468
_database_code_amcsd             0007324
_exptl_crystal_density_diffrn    3.605
_cod_original_formula_sum        '(Ca.433 Sr.567) Si O3'
_cod_database_code               9013878
OD (order-disorder) character of the crystal structure of maucherite Ni8As11 Note: maucherite-2M polytype
Makovicky, E.; Merlino, S.; European Journal of Mineralogy 21 (2009) 855–862; doi:10.1127/0935-1221/2009/0021-1960

data_9013879
_publ_section_title
;
 OD (order-disorder) character of the crystal structure of maucherite Ni8As11
 Note: maucherite-2M polytype
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              855
_journal_page_last               862
_journal_paper_doi               10.1127/0935-1221/2009/0021-1960
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        'modelled structure, not experimental'
_chemical_formula_sum            'As8 Ni11'
_chemical_name_mineral           Maucherite
_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                 102.55
_cell_angle_gamma                90
_cell_length_a                   9.718
_cell_length_b                   9.718
_cell_length_c                   11.177
_cell_formula_units_Z            4
_cell_volume                     1030.330
_database_code_amcsd             0007325
_exptl_crystal_density_diffrn    8.026
_cod_original_formula_sum        'Ni11 As8'
_cod_database_code               9013879
OD (order-disorder) character of the crystal structure of godlevskite Ni9S8
Merlino, S.; Makovicky, E.; European Journal of Mineralogy 21 (2009) 863–869; doi:10.1127/0935-1221/2009/0021-1961

data_9013880
_publ_section_title
;
 OD (order-disorder) character of the crystal structure of godlevskite Ni9S8
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              863
_journal_page_last               869
_journal_paper_doi               10.1127/0935-1221/2009/0021-1961
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        'modelled structure, not experimental'
_chemical_formula_sum            'Ni4.5 S4'
_chemical_name_mineral           Godlevskite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.38
_cell_length_b                   9.38
_cell_length_c                   22.44
_cell_formula_units_Z            16
_cell_volume                     1974.370
_database_code_amcsd             0007326
_exptl_crystal_density_diffrn    5.280
_cod_database_code               9013880
From structure topology to chemical composition. VII. Titanium silicates: the crystal structure and crystal chemistry of jinshajiangite
Sokolova, E.; Camara, F.; Hawthorne, F. C.; Abdu, Y.; European Journal of Mineralogy 21 (2009) 871–883; doi:10.1127/0935-1221/2009/0021-1945

data_9013881
_publ_section_title
;
 From structure topology to chemical composition. VII. Titanium silicates:
 the crystal structure and crystal chemistry of jinshajiangite
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              871
_journal_page_last               883
_journal_paper_doi               10.1127/0935-1221/2009/0021-1945
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        'Norra Karr, Tonkoping province, Sweden'
_chemical_formula_sum
;Ba2.32 Ca1.6 F2.72 Fe12.64 H9.28 K1.44 Mg0.4 Mn2.52 Na2.68 O73.28 Si16 Ti8
 Zr0.16
;
_chemical_name_mineral           Jinshajiangite
_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                 94.937
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.6785
_cell_length_b                   13.786
_cell_length_c                   20.700
_cell_volume                     3036.020
_database_code_amcsd             0007327
_exptl_crystal_density_diffrn    3.758
_cod_original_formula_sum
;Fe12.64 Mg.4 Mn2.52 Zr.16 Na2.68 Ti8 Si16 Ba2.32 K1.44 Ca1.6 O73.28 F2.72
 H9.28
;
_cod_database_code               9013881
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia Sample: Crystal I-2-7
Armbruster, T.; Galuskin, E. V.; Reznitsky, L. Z.; Sklyarov, E. V.; European Journal of Mineralogy 21 (2009) 885–891; doi:10.1127/0935-1221/2009/0021-1951

data_9013882
_publ_section_title
;X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite
 (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality:
 Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
 Sample: Crystal I-2-7
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              885
_journal_page_last               891
_journal_paper_doi               10.1127/0935-1221/2009/0021-1951
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source
'Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia'
_chemical_formula_sum            'Cr0.328 O5 Ti0.407 V2.263'
_chemical_name_mineral           Oxyvanite
_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                 111.13
_cell_angle_gamma                90
_cell_length_a                   10.0299
_cell_length_b                   5.0505
_cell_length_c                   6.999
_cell_formula_units_Z            4
_cell_volume                     330.704
_database_code_amcsd             0007328
_exptl_crystal_density_diffrn    4.656
_cod_original_formula_sum        'V2.263 Ti.407 Cr.328 O5'
_cod_database_code               9013882
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia Sample: Crystal II-7-21
Armbruster, T.; Galuskin, E. V.; Reznitsky, L. Z.; Sklyarov, E. V.; European Journal of Mineralogy 21 (2009) 885–891; doi:10.1127/0935-1221/2009/0021-1951

data_9013883
_publ_section_title
;X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite
 (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality:
 Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
 Sample: Crystal II-7-21
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              885
_journal_page_last               891
_journal_paper_doi               10.1127/0935-1221/2009/0021-1951
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source
'Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia'
_chemical_formula_sum            'Cr0.326 Fe0.012 O5 Ti0.54 V2.122'
_chemical_name_mineral           Berdesinskiite
_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                 110.845
_cell_angle_gamma                90
_cell_length_a                   10.0546
_cell_length_b                   5.0603
_cell_length_c                   7.0111
_cell_formula_units_Z            4
_cell_volume                     333.371
_database_code_amcsd             0007329
_exptl_crystal_density_diffrn    4.614
_cod_original_formula_sum        'V2.122 Ti.54 Cr.326 Fe.012 O5'
_cod_database_code               9013883
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia Sample: III-7-22
Armbruster, T.; Galuskin, E. V.; Reznitsky, L. Z.; Sklyarov, E. V.; European Journal of Mineralogy 21 (2009) 885–891; doi:10.1127/0935-1221/2009/0021-1951

data_9013884
_publ_section_title
;X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite
 (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality:
 Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
 Sample: III-7-22
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              885
_journal_page_last               891
_journal_paper_doi               10.1127/0935-1221/2009/0021-1951
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source
'Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia'
_chemical_formula_sum            'Al0.006 Cr0.61 Mg0.004 O5 Ti0.758 V1.622'
_chemical_name_mineral           Berdesinskiite
_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                 111.50
_cell_angle_gamma                90
_cell_length_a                   10.033
_cell_length_b                   5.039
_cell_length_c                   6.988
_cell_formula_units_Z            4
_cell_volume                     328.705
_database_code_amcsd             0007330
_exptl_crystal_density_diffrn    4.666
_cod_original_formula_sum        'V1.622 Ti.758 Cr.61 Al.006 Mg.004 O5'
_cod_database_code               9013884
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia Sample: III-9-11
Armbruster, T.; Galuskin, E. V.; Reznitsky, L. Z.; Sklyarov, E. V.; European Journal of Mineralogy 21 (2009) 885–891; doi:10.1127/0935-1221/2009/0021-1951

data_9013885
_publ_section_title
;X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite
 (V2TiO5) series: V4+ substituting for octahedrally coordinated Ti4+ Locality:
 Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
 Sample: III-9-11
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              885
_journal_page_last               891
_journal_paper_doi               10.1127/0935-1221/2009/0021-1951
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source
'Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia'
_chemical_formula_sum            'Al0.006 Cr0.61 Mg0.004 O5 Ti0.758 V1.622'
_chemical_name_mineral           Berdesinskiite
_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                 111.486
_cell_angle_gamma                90
_cell_length_a                   10.0448
_cell_length_b                   5.0393
_cell_length_c                   6.9890
_cell_formula_units_Z            4
_cell_volume                     329.190
_database_code_amcsd             0007331
_exptl_crystal_density_diffrn    4.659
_cod_original_formula_sum        'V1.622 Ti.758 Cr.61 Al.006 Mg.004 O5'
_cod_database_code               9013885
Alflarsenite, a new beryllium-silicate zeolite from a syenitic pegmatite in the Larvik plutonic complex, Oslo Region, Norway Locality: Larvik plutonic complex, Oslo Region, Norway
Raade, G.; Grice, J. D.; Cooper, M. A.; European Journal of Mineralogy 21 (2009) 893–900; doi:10.1127/0935-1221/2009/0021-1946

data_9013886
_publ_section_title
;Alflarsenite, a new beryllium-silicate zeolite from a syenitic pegmatite in
 the Larvik plutonic complex, Oslo Region, Norway Locality: Larvik plutonic
 complex, Oslo Region, Norway
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              893
_journal_page_last               900
_journal_paper_doi               10.1127/0935-1221/2009/0021-1946
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        'Larvik plutonic complex, Oslo Region, Norway'
_chemical_formula_sum            'Be6 Ca4.184 H12 Na1.816 O32.21 Si8'
_chemical_name_mineral           Alflarsenite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.287
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1222
_cell_length_b                   19.8378
_cell_length_c                   9.8071
_cell_volume                     1291.096
_database_code_amcsd             0007332
_exptl_crystal_density_diffrn    2.612
_cod_original_formula_sum        'Ca4.184 Na1.816 Si8 Be6 O32.21 H12'
_cod_database_code               9013886
Florkeite, K3Ca2Na[Al8Si8O32]*12H2O, a new phillipsite-type zeolite from the Bellerberg, East Eifel volcanic are, Germany
Lengauer, C. L.; Kolitsch, U.; Tillmanns, E.; European Journal of Mineralogy 21 (2009) 901–913; doi:10.1127/0935-1221/2009/0021-1952

data_9013887
_publ_section_title
;
 Florkeite, K3Ca2Na[Al8Si8O32]*12H2O, a new phillipsite-type zeolite
 from the Bellerberg, East Eifel volcanic are, Germany
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              901
_journal_page_last               913
_journal_paper_doi               10.1127/0935-1221/2009/0021-1952
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source        'Bellerberg, East Eifel volcanic are, Germany'
_chemical_formula_sum            'Al8 Ca2 H18 K2.929 Na O44 Si8'
_chemical_name_mineral           Florkeite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.37
_cell_angle_beta                 125.08
_cell_angle_gamma                89.57
_cell_formula_units_Z            2
_cell_length_a                   19.965
_cell_length_b                   14.274
_cell_length_c                   8.704
_cell_volume                     2028.209
_database_code_amcsd             0007333
_exptl_crystal_density_diffrn    2.260
_cod_original_formula_sum        'K2.929 Ca2 Na Al8 Si8 O44 H18'
_cod_database_code               9013887
Chegemite Ca7(SiO4)3(OH)2 - a new humite-group mineral from the Northern Caucasus, Kabardino-Balkaria, Russia Locality: in the high-temperature skarns in calcareous xenoliths in ignimbrites of the Upper Chegem volcanic structure, Northern Caucasus, Kabardino-Balkaria, Russia
Galuskin, E. V.; Gazeev, V. M.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Zadov, A. E.; Pertsev, N. N.; Wrzalik, R.; Dzierzanowski, P.; Gurbanov, A. G.; Bzowska, G.; European Journal of Mineralogy 21 (2009) 1045–1059; doi:10.1127/0935-1221/2009/0021-1962

data_9013888
_publ_section_title
;Chegemite Ca7(SiO4)3(OH)2 - a new humite-group mineral from the Northern
 Caucasus, Kabardino-Balkaria, Russia Locality: in the high-temperature skarns
 in calcareous xenoliths in ignimbrites of the Upper Chegem volcanic
 structure, Northern Caucasus, Kabardino-Balkaria, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1045
_journal_page_last               1059
_journal_paper_doi               10.1127/0935-1221/2009/0021-1962
_journal_volume                  21
_journal_year                    2009
_chemical_compound_source
'in the high-temperature skarns in calcareous xenoliths in ignimbrites of'
_chemical_formula_sum            'Ca7 F0.24 H1.76 O13.76 Si3'
_chemical_name_mineral           Chegemite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0696
_cell_length_b                   11.3955
_cell_length_c                   23.5571
_cell_formula_units_Z            4
_cell_volume                     1360.908
_database_code_amcsd             0007334
_exptl_crystal_density_diffrn    2.886
_cod_original_formula_sum        'Ca7 Si3 O13.76 F.24 H1.76'
_cod_database_code               9013888
The crystal structure of ludlamite
Ito, T.; Mori, H.; Acta Crystallographica 4 (1951) 412–416; doi:10.1107/S0365110X51001367

data_9013889
_publ_section_title
;
 The crystal structure of ludlamite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              412
_journal_page_last               416
_journal_paper_doi               10.1107/S0365110X51001367
_journal_volume                  4
_journal_year                    1951
_chemical_compound_source        'Ashio, Japan'
_chemical_formula_sum            'Fe3 H8 O12 P2'
_chemical_name_mineral           Ludlamite
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.45
_cell_length_b                   4.65
_cell_length_c                   9.25
_cell_volume                     449.481
_database_code_amcsd             0009144
_exptl_crystal_density_diffrn    3.174
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'Fe3 P2 O12 H8'
_cod_database_code               9013889
The crystal structure of copper metaborate, CuB2O4
Martinez-Ripoll M; Martinez-Carrera S; Garcia-Blanco S; Acta Crystallographica, Section B 27 (1971) 677–681; doi:10.1107/S0567740871002760

data_9013890
_publ_section_title
;
 The crystal structure of copper metaborate, CuB2O4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              677
_journal_page_last               681
_journal_paper_doi               10.1107/S0567740871002760
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B2 Cu O4'
_chemical_name_mineral           Santarosaite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.484
_cell_length_b                   11.484
_cell_length_c                   5.620
_cell_formula_units_Z            12
_cell_volume                     741.178
_database_code_amcsd             0009389
_exptl_crystal_density_diffrn    4.010
_cod_original_formula_sum        'Cu B2 O4'
_cod_database_code               9013890
Refinement of the structures of SrFCl and BaFCl Note: matlockite structure
Sauvage, M.; Acta Crystallographica, Section B 30 (1974) 2786–2787; doi:10.1107/S0567740874008132

data_9013891
_publ_section_title
;
 Refinement of the structures of SrFCl and BaFCl
 Note: matlockite structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2786
_journal_page_last               2787
_journal_paper_doi               10.1107/S0567740874008132
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cl F'
_chemical_name_mineral           Zhangpeishanite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3939
_cell_length_b                   4.3939
_cell_length_c                   7.2248
_cell_formula_units_Z            2
_cell_volume                     139.485
_database_code_amcsd             0009521
_exptl_crystal_density_diffrn    4.566
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ba F Cl'
_cod_database_code               9013891
Refinement of the structures of SrFCl and BaFCl Note: matlockite structure
Sauvage, M.; Acta Crystallographica, Section B 30 (1974) 2786–2787; doi:10.1107/S0567740874008132

data_9013892
_publ_section_title
;
 Refinement of the structures of SrFCl and BaFCl
 Note: matlockite structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2786
_journal_page_last               2787
_journal_paper_doi               10.1107/S0567740874008132
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_structural     Sr(Cl,F)
_chemical_formula_sum            'Cl F Sr'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1259
_cell_length_b                   4.1259
_cell_length_c                   6.9579
_cell_formula_units_Z            2
_cell_volume                     118.445
_database_code_amcsd             0009522
_exptl_crystal_density_diffrn    3.984
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Sr F Cl'
_cod_database_code               9013892
_amcsd_formula_title             SrFCl