LMucko/crystallography-open-database huggingface dataset:
Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = 0
Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G.; Inorganic Materials 40 (2004) 1324–1330; doi:10.1007/s10789-005-0019-y

data_9015607
_publ_section_title
;
 Structural and dielectric properties of solid solutions of
 sodium niobate in lanthanum and neodymium niobates
 Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C
 Note: x = 0
;
_journal_name_full               'Inorganic Materials'
_journal_page_first              1324
_journal_page_last               1330
_journal_paper_doi               10.1007/s10789-005-0019-y
_journal_volume                  40
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'La0.67 Nb2 O6'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9105
_cell_length_b                   3.9197
_cell_length_c                   7.9142
_cell_formula_units_Z            1
_cell_volume                     121.309
_database_code_amcsd             0018675
_exptl_crystal_density_diffrn    5.132
_cod_original_formula_sum        'La.67 Nb2 O6'
_cod_database_code               9015607
_amcsd_formula_title             La.67Nb2O6
Structure of tetrapotassium tetrametaphosphate tetrahydrate _cod_database_code 1007148
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 41 (1985) 1564–1566; doi:10.1107/S0108270185008575

data_9015608
_publ_section_title
;
 Structure of tetrapotassium tetrametaphosphate tetrahydrate
 _cod_database_code 1007148
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1564
_journal_page_last               1566
_journal_paper_doi               10.1107/S0108270185008575
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'H2 K O4 P'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.061
_cell_length_b                   9.061
_cell_length_c                   10.284
_cell_formula_units_Z            8
_cell_volume                     844.334
_database_code_amcsd             0010015
_exptl_crystal_density_diffrn    2.141
_cod_duplicate_entry             1007148
_cod_original_formula_sum        'K P O4 H2'
_cod_database_code               9015608
_amcsd_formula_title             'H8 K4 O16 P4'
Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square pyramidal coordination
Caignaert, V.; Nguyen, N.; Hervieu, M.; Raveau, B.; Materials Research Bulletin 20 (1985) 479–484; doi:10.1016/0025-5408(85)90101-1

data_9015609
_publ_section_title
;
 Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square
 pyramidal coordination
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              479
_journal_page_last               484
_journal_paper_doi               10.1016/0025-5408(85)90101-1
_journal_volume                  20
_journal_year                    1985
_chemical_formula_sum            'Mn2 O5 Sr2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.523
_cell_length_b                   10.761
_cell_length_c                   3.811
_cell_volume                     226.499
_database_code_amcsd             0014316
_exptl_crystal_density_diffrn    2.784
_cod_duplicate_entry             1001352
_cod_database_code               9015609
_amcsd_formula_title             'Mn2 O5 Sr2'
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 303 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_9015610
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: T = 303 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            'Mg1.9 O4 Si0.99'
_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                   8.0816
_cell_length_b                   8.0816
_cell_length_c                   8.0816
_cell_formula_units_Z            8
_cell_volume                     527.828
_database_code_amcsd             0018827
_exptl_crystal_density_diffrn    3.473
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.9 Si.99 O4'
_cod_database_code               9015610
A structural study of the lithiophilite-sicklerite series Sample 1, colorless
Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F.; The Canadian Mineralogist 50 (2012) 843–854; doi:10.3749/canmin.50.4.843

data_9015611
_publ_section_title
;
 A structural study of the lithiophilite-sicklerite series
 Sample 1, colorless
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              843
_journal_page_last               854
_journal_paper_doi               10.3749/canmin.50.4.843
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China'
_chemical_formula_sum            'Fe0.183 Li0.91 Mn0.8 O4 P'
_chemical_name_mineral           Lithiophilite
_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                   4.736
_cell_length_b                   10.432
_cell_length_c                   6.088
_cell_formula_units_Z            4
_cell_volume                     300.783
_database_code_amcsd             0019729
_exptl_crystal_density_diffrn    3.433
_cod_original_formula_sum        'Li.91 Mn.8 Fe.183 P O4'
_cod_database_code               9015611
Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite
Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P.; Acta Crystallographica, Section B 43 (1987) 440–448; doi:10.1107/S0108768187097520

data_9015612
_publ_section_title
;
 Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              440
_journal_page_last               448
_journal_paper_doi               10.1107/S0108768187097520
_journal_volume                  43
_journal_year                    1987
_chemical_formula_sum            'Ba3 Mg3 O40 Ti17'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.77
_cell_angle_gamma                90
_cell_length_a                   10.227
_cell_length_b                   14.907
_cell_length_c                   9.964
_cell_formula_units_Z            2
_cell_volume                     1518.913
_database_code_amcsd             0016683
_exptl_crystal_density_diffrn    4.239
_cod_original_formula_sum        'Ba3 (Ti17 Mg3) O40'
_cod_database_code               9015612
_amcsd_formula_title             Ba1.2Ti6.8Mg1.2O16
_cod_duplicate_entry 1008813
Fantappieite, a new mineral of the cancrinite-sodalite group with a 33-layer stacking sequence: Occurrence and crystal structure
Camara, F.; Bellatreccia, F.; Della Ventura, G.; Mottana, A.; Bindi, L.; Gunter, M. E.; Sebastiani, M.; American Mineralogist 95 (2010) 472–480; doi:10.2138/am.2010.3279

data_9015613
_publ_section_title
;
 Fantappieite, a new mineral of the cancrinite-sodalite group
 with a 33-layer stacking sequence: Occurrence and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              472
_journal_page_last               480
_journal_paper_doi               10.2138/am.2010.3279
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Torre Stracciacappe, Trevignano community, Rome, Latium, Italy'
_chemical_formula_sum
'Al96 Ca29.2 Cl2 H20 K14.78 Na79.84 O460 S31 Si102'
_chemical_name_mineral           Fantappieite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.8742
_cell_length_b                   12.8742
_cell_length_c                   87.215
_cell_volume                     12518.789
_database_code_amcsd             0005034
_exptl_crystal_density_diffrn    2.319
_cod_original_cell_volume        12518.788
_cod_original_formula_sum
'Na79.84 Ca29.2 K14.78 Al96 Si102 O460 S31 Cl2 H20'
_cod_database_code               9015613
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q2, treated at 750 C for 120 min
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9015614
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim9_q2, treated at 750 C for 120 min
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe0.999 Nb0.13 O6 Ta1.871'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7497
_cell_length_b                   4.7497
_cell_length_c                   9.2530
_cell_formula_units_Z            2
_cell_volume                     208.744
_database_code_amcsd             0018705
_exptl_crystal_density_diffrn    7.993
_cod_original_formula_sum        'Fe.999 Ta1.871 Nb.13 O6'
_cod_database_code               9015614
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 2.90 GPa Note: occupancies not refined
Olsen, L. A.; Balic Zunic, T.; Makovicky, E.; Inorganic Chemistry 47 (2008) 6756–6762; doi:10.1021/ic800380p

data_9015615
_publ_section_title
;
 High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced,
 reversible phase transition with migration of chemical bonds
 Note: P = 2.90 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                   13.280
_cell_length_b                   20.260
_cell_length_c                   4.0448
_cell_formula_units_Z            4
_cell_volume                     1088.265
_database_code_amcsd             0018402
_exptl_crystal_density_diffrn    7.519
_cod_original_formula_sum        'Pb3 Bi2 S6'
_cod_database_code               9015615
Structures of the ferroelectric phases of barium titanate Note: T = 40 K
Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.; Journal of Physical Chemistry 97 (1993) 2368–2377; doi:10.1021/j100112a043

data_9015616
_publ_section_title
;
 Structures of the ferroelectric phases of barium titanate
 Note: T = 40 K
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2368
_journal_page_last               2377
_journal_paper_doi               10.1021/j100112a043
_journal_volume                  97
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                89.843
_cell_angle_beta                 89.843
_cell_angle_gamma                89.843
_cell_length_a                   4.0035
_cell_length_b                   4.0035
_cell_length_c                   4.0035
_cell_formula_units_Z            1
_cell_volume                     64.167
_database_code_amcsd             0018585
_exptl_crystal_density_diffrn    6.035
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Ba Ti O3'
_cod_database_code               9015616
_amcsd_formula_title             BaTiO3
Ordered As O4 and S O4 tetrahedra in diammonium trihydrogenarsenate sulfate _cod_database_code 1007147
Boubia, M.; Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 41 (1985) 1562–1564; doi:10.1107/S0108270185008563

data_9015617
_publ_section_title
;
 Ordered As O4 and S O4 tetrahedra in diammonium trihydrogenarsenate sulfate
 _cod_database_code 1007147
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1562
_journal_page_last               1564
_journal_paper_doi               10.1107/S0108270185008563
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'As N2 O8 S'
_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                 92.40
_cell_angle_gamma                90
_cell_length_a                   11.95
_cell_length_b                   7.660
_cell_length_c                   9.658
_cell_formula_units_Z            4
_cell_volume                     883.289
_database_code_amcsd             0010014
_exptl_crystal_density_diffrn    1.978
_cod_duplicate_entry             1007147
_cod_original_formula_sum        'As S O8 N2'
_cod_database_code               9015617
_amcsd_formula_title             'As H11 N2 O8 S'
The Structure of Hemimorphite (H2 Zn2 Si O5) _cod_database_code 1011257
Ito, T.; West, J.; Zeitschrift fur Kristallographie 83 (1932) 1–8; doi:

data_9015618
_publ_section_title
;
 The Structure of Hemimorphite (H2 Zn2 Si O5)
 _cod_database_code 1011257
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  83
_journal_year                    1932
_chemical_formula_sum            'O5 Si Zn2'
_chemical_name_mineral           Hemimorphite
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.38
_cell_length_b                   10.7
_cell_length_c                   5.11
_cell_formula_units_Z            8
_cell_volume                     458.193
_database_code_amcsd             0018118
_exptl_crystal_density_diffrn    3.463
_cod_duplicate_entry             1011257
_cod_original_formula_sum        'Si Zn2 O5'
_cod_database_code               9015618
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m _cod_database_code 1000495
Fourquet, J.; Jacoboni, C.; de Pape, R.; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_9015619
_publ_section_title
;
 Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
 A de nouvelles positions cristallographiques dans les groupe d'espace Fd3m
 _cod_database_code 1000495
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Cs0.5 F0.5 Nb O2.5'
_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                   10.525
_cell_length_b                   10.525
_cell_length_c                   10.525
_cell_formula_units_Z            16
_cell_volume                     1165.913
_database_code_amcsd             0014231
_exptl_crystal_density_diffrn    4.759
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cs.5 Nb (O2.5 F.5)'
_cod_database_code               9015619
_amcsd_formula_title             'Cs F Nb2 O5'
_cod_duplicate_entry 1000495
Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.000, Co content = 0.00 apfu
Ardit, M.; Cruciani, G.; Dondi, M.; American Mineralogist 97 (2012) 1394–1401; doi:10.2138/am.2012.4093

data_9015620
_publ_section_title
;
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.000, Co content = 0.00 apfu
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1394
_journal_page_last               1401
_journal_paper_doi               10.2138/am.2012.4093
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_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                   8.08514
_cell_length_b                   8.08514
_cell_length_c                   8.08514
_cell_formula_units_Z            8
_cell_volume                     528.521
_database_code_amcsd             0019259
_exptl_crystal_density_diffrn    4.608
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9015620
Structure refinement of trigonal iron-chlorine boracite
Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H.; Acta Crystallographica, Section C 41 (1985) 1551–1552; doi:10.1107/S0108270185008514

data_9015621
_publ_section_title
;
 Structure refinement of trigonal iron-chlorine boracite
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1551
_journal_page_last               1552
_journal_paper_doi               10.1107/S0108270185008514
_journal_volume                  41
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B7 Cl Fe3 O13'
_chemical_name_mineral           Congolite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.6231
_cell_length_b                   8.6231
_cell_length_c                   21.0503
_cell_formula_units_Z            6
_cell_volume                     1355.551
_database_code_amcsd             0019541
_exptl_crystal_density_diffrn    3.577
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Fe3 Cl B7 O13'
_cod_database_code               9015621
Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate
Merlino, S.; American Mineralogist 68 (1983) 614–622; doi:

data_9015622
_publ_section_title
;
 Okenite, Ca10Si18O46*18H2O: the first example of a chain and sheet silicate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              614
_journal_page_last               622
_journal_volume                  68
_journal_year                    1983
_chemical_compound_source        'Kolhapur District, Maharastra State, India'
_chemical_formula_sum            'Ca5 H18 O32 Si9'
_chemical_name_mineral           Okenite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.7
_cell_angle_beta                 100.1
_cell_angle_gamma                110.9
_cell_formula_units_Z            2
_cell_length_a                   9.69
_cell_length_b                   7.28
_cell_length_c                   22.02
_cell_volume                     1418.476
_database_code_amcsd             0000902
_exptl_crystal_density_diffrn    2.302
_cod_original_formula_sum        'Ca5 Si9 O32 H18'
_cod_database_code               9015622
Localisation des remplacements isomorphiques dans la muscovite Note: polytype Muscovite 2M1 _cod_database_code 1000042
Gatineau, L.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 256 (1963) 4648–4649; doi:

data_9015623
_publ_section_title
;
 Localisation des remplacements isomorphiques dans la muscovite
 Note: polytype Muscovite 2M1
 _cod_database_code 1000042
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              4648
_journal_page_last               4649
_journal_volume                  256
_journal_year                    1963
_chemical_formula_sum            'Al3 K O12 Si3'
_chemical_name_mineral           Muscovite
_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                 95.18
_cell_angle_gamma                90
_cell_length_a                   5.189
_cell_length_b                   8.995
_cell_length_c                   20.09698
_cell_formula_units_Z            4
_cell_volume                     934.197
_database_code_amcsd             0012259
_exptl_crystal_density_diffrn    2.818
_cod_original_formula_sum        'K Al3 Si3 O12'
_cod_database_code               9015623