LMucko/crystallography-open-database huggingface dataset:
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 (A = K, Rb) Sample: 9
Michiue, Y.; Acta Crystallographica, Section B 63 (2007) 577–583; doi:10.1107/S0108768107023531

data_9011335
_publ_section_title
;
 Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
 (A = K, Rb)
 Sample: 9
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              577
_journal_page_last               583
_journal_paper_doi               10.1107/S0108768107023531
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg0.378 O8 Rb0.756 Ti3.622'
_chemical_name_mineral           Hollandite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2052
_cell_length_b                   10.2052
_cell_length_c                   2.9717
_cell_formula_units_Z            2
_cell_volume                     309.491
_database_code_amcsd             0009963
_exptl_crystal_density_diffrn    4.026
_cod_original_formula_sum        'Rb.756 (Ti3.622 Mg.378) O8'
_cod_database_code               9011335
_amcsd_formula_title             RbxMgx/2Ti8-x/2O16
_cod_duplicate_entry 2102871
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Locality: synthetic Sample: T = 293 K
Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.; Acta Crystallographica, Section B 63 (2007) 675–682; doi:10.1107/S0108768107030005

data_9011336
_publ_section_title
;
 Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
 neutron powder diffraction study
 Locality: synthetic
 Sample: T = 293 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              675
_journal_page_last               682
_journal_paper_doi               10.1107/S0108768107030005
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'Al7 Ca6 O16.753'
_chemical_name_mineral           Mayenite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.9794
_cell_length_b                   11.9794
_cell_length_c                   11.9794
_cell_formula_units_Z            4
_cell_volume                     1719.116
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.694
_cod_original_formula_sum        'Ca6 Al7 O16.753'
_cod_database_code               9011336
_cod_duplicate_entry 2102955
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Locality: synthetic Sample: T = 973 K
Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.; Acta Crystallographica, Section B 63 (2007) 675–682; doi:10.1107/S0108768107030005

data_9011337
_publ_section_title
;
 Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
 neutron powder diffraction study
 Locality: synthetic
 Sample: T = 973 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              675
_journal_page_last               682
_journal_paper_doi               10.1107/S0108768107030005
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'Al7 Ca6 O16.543'
_chemical_name_mineral           Mayenite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0308
_cell_length_b                   12.0308
_cell_length_c                   12.0308
_cell_formula_units_Z            4
_cell_volume                     1741.340
_diffrn_ambient_temperature      973
_exptl_crystal_density_diffrn    2.647
_cod_original_formula_sum        'Ca6 Al7 O16.543'
_cod_database_code               9011337
_cod_duplicate_entry 2102956
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Sample: T = 1223 K
Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.; Acta Crystallographica, Section B 63 (2007) 675–682; doi:10.1107/S0108768107030005

data_9011338
_publ_section_title
;
 Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
 neutron powder diffraction study
 Sample: T = 1223 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              675
_journal_page_last               682
_journal_paper_doi               10.1107/S0108768107030005
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al7 Ca6 O16.348'
_chemical_name_mineral           Mayenite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0449
_cell_length_b                   12.0449
_cell_length_c                   12.0449
_cell_formula_units_Z            4
_cell_volume                     1747.469
_database_code_amcsd             0009966
_diffrn_ambient_temperature      1223
_exptl_crystal_density_diffrn    2.626
_cod_original_formula_sum        'Ca6 Al7 O16.348'
_cod_database_code               9011338
Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature neutron powder diffraction study Locality: synthetic Sample: T = 1323 K
Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.; Acta Crystallographica, Section B 63 (2007) 675–682; doi:10.1107/S0108768107030005

data_9011339
_publ_section_title
;
 Structure and oxygen mobility in mayenite (Ca12Al14O33): a high-temperature
 neutron powder diffraction study
 Locality: synthetic
 Sample: T = 1323 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              675
_journal_page_last               682
_journal_paper_doi               10.1107/S0108768107030005
_journal_volume                  63
_journal_year                    2007
_chemical_formula_sum            'Al7 Ca6 O16.45'
_chemical_name_mineral           Mayenite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0585
_cell_length_b                   12.0585
_cell_length_c                   12.0585
_cell_formula_units_Z            4
_cell_volume                     1753.395
_diffrn_ambient_temperature      1323
_exptl_crystal_density_diffrn    2.623
_cod_original_formula_sum        'Ca6 Al7 O16.45'
_cod_database_code               9011339
_cod_duplicate_entry 2102958
The structure of deuterated ammomium uranyl phosphate trihydrate, ND4UO2PO4*3D2O by powder neutron diffraction
Fitch, A. N.; Fender, B. E. F.; Acta Crystallographica, Section C 39 (1983) 162–166; doi:10.1107/S0108270183003972

data_9011340
_publ_section_title
;
 The structure of deuterated ammomium uranyl phosphate trihydrate,
 ND4UO2PO4*3D2O by powder neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              162
_journal_page_last               166
_journal_paper_doi               10.1107/S0108270183003972
_journal_volume                  39
_journal_year                    1983
_chemical_formula_structural     (NH4)(UO2)(PO4)*3(D2O)
_chemical_formula_sum            'D6 H4 N O9 P U'
_chemical_name_mineral           'Uramphite (deuterated)'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.0221
_cell_length_b                   7.0221
_cell_length_c                   18.0912
_cell_formula_units_Z            4
_cell_volume                     892.075
_exptl_crystal_density_diffrn    3.329
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'U P O9 N D10'
_cod_database_code               9011340
_database_code_amcsd 0009971
Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 locality: peridotite nodules, Bultfonten kimblerlite, South africa
Gatehouse, B. M.; Grey, I. E.; Smyth, J. R.; Acta Crystallographica, Section C 39 (1983) 421–422; doi:10.1107/S0108270183004965

data_9011341
_publ_section_title
;
 Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10)
 [Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38
 locality: peridotite nodules, Bultfonten kimblerlite, South africa
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              421
_journal_page_last               422
_journal_paper_doi               10.1107/S0108270183004965
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source
'peridotite nodules, Bultfonten kimblerlite, South Africa'
_chemical_formula_sum
;Ba0.14 Ca0.3 Cr3.1 Fe2.2 K0.62 Mg1.333 Na0.14 Nb0.233 O38 Sr0.1 Ti12.9 V0.233
 Zr0.7
;
_chemical_name_mineral           Mathiasite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                69.24
_cell_angle_beta                 69.24
_cell_angle_gamma                69.24
_cell_formula_units_Z            1
_cell_length_a                   9.119
_cell_length_b                   9.119
_cell_length_c                   9.119
_cell_volume                     639.924
_database_code_amcsd             0009973
_exptl_crystal_density_diffrn    4.430
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
;(K.62 Na.14 Ba.14 Sr.1) (Zr.7 Ca.3) Mg1.333 Fe2.2 Ti12.9 Cr3.1 V.233 Nb.233
 O38
;
_cod_database_code               9011341
Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O Locality: Musoni, Kolwezi, Shaba, Zaire Note: anisoB's from ICSD
Ginderow, D.; Cesbron, F.; Acta Crystallographica, Section C 39 (1983) 824–827; doi:10.1107/S0108270183006496

data_9011342
_publ_section_title
;
 Structure de la demesmaekerite,Pb2Cu5(SeO3)6(UO2)2(OH)6*2H2O
 Locality: Musoni, Kolwezi, Shaba, Zaire
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              824
_journal_page_last               827
_journal_paper_doi               10.1107/S0108270183006496
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Cu5 H10 O30 Pb2 Se6 U2'
_chemical_name_mineral           Demesmaekerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.78
_cell_angle_beta                 100.36
_cell_angle_gamma                91.34
_cell_formula_units_Z            1
_cell_length_a                   11.955
_cell_length_b                   10.039
_cell_length_c                   5.639
_cell_volume                     665.556
_database_code_amcsd             0009977
_exptl_crystal_density_diffrn    5.418
_cod_original_formula_sum        'Pb2 Cu5 Se6 U2 O30 H10'
_cod_database_code               9011342
Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic
Nowotny, H.; Heger, G.; Acta Crystallographica, Section C 39 (1983) 952–956; doi:10.1107/S0108270183006976

data_9011343
_publ_section_title
;Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate,
 Ba(NO3)2 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              952
_journal_page_last               956
_journal_paper_doi               10.1107/S0108270183006976
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba N2 O6'
_chemical_name_mineral           Nitrobarite
_chemical_name_systematic        'Barium nitrate'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1184
_cell_length_b                   8.1184
_cell_length_c                   8.1184
_cell_volume                     535.071
_database_code_amcsd             0009978
_exptl_crystal_density_diffrn    3.244
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9011343
Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate, Ba(NO3)2 Locality: synthetic
Nowotny, H.; Heger, G.; Acta Crystallographica, Section C 39 (1983) 952–956; doi:10.1107/S0108270183006976

data_9011344
_publ_section_title
;Structure refinement of strontium nitrate, Sr(NO3)2, and barium nitrate,
 Ba(NO3)2 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              952
_journal_page_last               956
_journal_paper_doi               10.1107/S0108270183006976
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_structural     Sr(NO3)2
_chemical_formula_sum            'N2 O6 Sr'
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7813
_cell_length_b                   7.7813
_cell_length_c                   7.7813
_cell_volume                     471.147
_database_code_amcsd             0009979
_exptl_crystal_density_diffrn    2.984
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item and updating the space group
 information.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Sr N2 O6'
_cod_database_code               9011344
_amcsd_formula_title             Sr(NO3)2
Structure of N2 at 2.94 GPa and 300 K Sample: at T = 300 K and P = 2.94 GPa
Schiferl, D.; Cromer, D. T.; Ryan, R. R.; Larson, A. C.; LeSar, R.; Mills, R. L.; Acta Crystallographica, Section C 39 (1983) 1151–1153; doi:10.1107/S0108270183007726

data_9011345
_publ_section_title
;
 Structure of N2 at 2.94 GPa and 300 K
 Sample: at T = 300 K and P = 2.94 GPa
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1151
_journal_page_last               1153
_journal_paper_doi               10.1107/S0108270183007726
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_mineral           Nitrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.595
_cell_length_b                   3.595
_cell_length_c                   5.845
_cell_formula_units_Z            4
_cell_volume                     65.420
_database_code_amcsd             0009982
_diffrn_ambient_pressure         2.94e+06
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    2.844
_cod_original_formula_sum        N.333
_cod_database_code               9011345
Reinvestigation of the structure of calcium copper acetate hexahydrate, CaCu(C2H3O2)4*6H2O
Klop, E. A.; Duisenberg, A. J. M.; Spek, A. L.; Acta Crystallographica, Section C 39 (1983) 1342–1344; doi:10.1107/S010827018300846X

data_9011346
_publ_section_title
;
 Reinvestigation of the structure of calcium copper acetate hexahydrate,
 CaCu(C2H3O2)4*6H2O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1342
_journal_page_last               1344
_journal_paper_doi               10.1107/S010827018300846X
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'C8 H24 Ca Cu O14'
_chemical_name_mineral           Paceite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.152
_cell_length_b                   11.152
_cell_length_c                   16.240
_cell_volume                     2019.722
_database_code_amcsd             0009984
_exptl_crystal_density_diffrn    1.473
_cod_original_formula_sum        'Ca Cu C8 O14 H24'
_cod_database_code               9011346
Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic
Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P.; Acta Crystallographica, Section C 39 (1983) 1483–1485; doi:10.1107/S0108270183008963

data_9011347
_publ_section_title
;Structure of the low-temperature variety of calcium sodium orthophosphate,
 NaCaPO4 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1483
_journal_page_last               1485
_journal_paper_doi               10.1107/S0108270183008963
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Na O4 P'
_chemical_name_mineral           Buchwaldite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.397
_cell_length_b                   5.412
_cell_length_c                   9.161
_cell_formula_units_Z            12
_cell_volume                     1011.270
_database_code_amcsd             0009985
_exptl_crystal_density_diffrn    3.114
_cod_original_formula_sum        'Ca Na P O4'
_cod_database_code               9011347
Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6 Note: anisoB's from ICSD
Ginderow, D.; Cesbron, F.; Acta Crystallographica, Section C 39 (1983) 1605–1607; doi:10.1107/S0108270183009439

data_9011348
_publ_section_title
;
 Structure da la derriksite, Cu4(UO2)(SeO3)2(OH)6
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1605
_journal_page_last               1607
_journal_paper_doi               10.1107/S0108270183009439
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'Musoni, Shaba, Ziare'
_chemical_formula_sum            'Cu4 H6 O14 Se2 U'
_chemical_name_mineral           Derriksite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.570
_cell_length_b                   19.088
_cell_length_c                   5.965
_cell_volume                     634.200
_database_code_amcsd             0009986
_exptl_crystal_density_diffrn    4.609
_cod_original_formula_sum        'Cu4 U Se2 O14 H6'
_cod_database_code               9011348
The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD, corrected
Menchetti, S.; Sabelli, C.; Trosti-Ferroni R; Acta Crystallographica, Section C 40 (1984) 1506–1510; doi:10.1107/S0108270184008532

data_9011349
_publ_section_title
;
 The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O
 Note: anisoB's from ICSD, corrected
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1506
_journal_page_last               1510
_journal_paper_doi               10.1107/S0108270184008532
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl O5.27 Sb4'
_chemical_name_mineral           Onoratoite
_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                 110.25
_cell_angle_gamma                90
_cell_length_a                   19.047
_cell_length_b                   4.0530
_cell_length_c                   10.318
_cell_formula_units_Z            4
_cell_volume                     747.292
_database_code_amcsd             0009996
_exptl_crystal_density_diffrn    5.393
_cod_original_formula_sum        'Sb4 O5.27 Cl'
_cod_database_code               9011349
The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O Note: anisoB's from ICSD
Menchetti, S.; Sabelli, C.; Trosti-Ferroni R; Acta Crystallographica, Section C 40 (1984) 1506–1510; doi:10.1107/S0108270184008532

data_9011350
_publ_section_title
;
 The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1506
_journal_page_last               1510
_journal_paper_doi               10.1107/S0108270184008532
_journal_volume                  40
_journal_year                    1984
_chemical_formula_structural     Sb8O11Cl2*6H2O
_chemical_formula_sum            'Cl H9.04 O8.54 Sb4'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.618
_cell_length_b                   13.148
_cell_length_c                   4.078
_cell_volume                     515.694
_database_code_amcsd             0009997
_exptl_crystal_density_diffrn    4.303
_cod_original_formula_sum        'Sb4 O8.54 Cl H9.04'
_cod_database_code               9011350
_amcsd_formula_title             Sb8O11Cl2*6H2O