LMucko/crystallography-open-database huggingface dataset:
Thermal expansion of sodium fluoride and sodium bromide Note: T = 68.1 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007458
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 68.1 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6400
_cell_length_b                   4.6400
_cell_length_c                   4.6400
_cell_formula_units_Z            4
_cell_volume                     99.897
_database_code_amcsd             0009252
_diffrn_ambient_temperature      341.25
_exptl_crystal_density_diffrn    2.792
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007458
Thermal expansion of sodium fluoride and sodium bromide Note: T = 108 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007459
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 108 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6466
_cell_length_b                   4.6466
_cell_length_c                   4.6466
_cell_formula_units_Z            4
_cell_volume                     100.324
_database_code_amcsd             0009253
_diffrn_ambient_temperature      381.15
_exptl_crystal_density_diffrn    2.780
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007459
Thermal expansion of sodium fluoride and sodium bromide Note: T = 148 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007460
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 148 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6537
_cell_length_b                   4.6537
_cell_length_c                   4.6537
_cell_formula_units_Z            4
_cell_volume                     100.785
_database_code_amcsd             0009254
_diffrn_ambient_temperature      421.15
_exptl_crystal_density_diffrn    2.767
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007460
Thermal expansion of sodium fluoride and sodium bromide Note: T = 176 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007461
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 176 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6585
_cell_length_b                   4.6585
_cell_length_c                   4.6585
_cell_formula_units_Z            4
_cell_volume                     101.097
_database_code_amcsd             0009255
_diffrn_ambient_temperature      449.15
_exptl_crystal_density_diffrn    2.759
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007461
Thermal expansion of sodium fluoride and sodium bromide Note: T = 208 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007462
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 208 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6648
_cell_length_b                   4.6648
_cell_length_c                   4.6648
_cell_formula_units_Z            4
_cell_volume                     101.508
_database_code_amcsd             0009256
_diffrn_ambient_temperature      481.15
_exptl_crystal_density_diffrn    2.747
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007462
Thermal expansion of sodium fluoride and sodium bromide Note: T = 254 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007463
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 254 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6726
_cell_length_b                   4.6726
_cell_length_c                   4.6726
_cell_formula_units_Z            4
_cell_volume                     102.018
_database_code_amcsd             0009257
_diffrn_ambient_temperature      527.15
_exptl_crystal_density_diffrn    2.734
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007463
Thermal expansion of sodium fluoride and sodium bromide Note: T = 31.5 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007464
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 31.5 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_structural     NaBr
_chemical_formula_sum            'Br Na'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.9738
_cell_length_b                   5.9738
_cell_length_c                   5.9738
_cell_formula_units_Z            4
_cell_volume                     213.183
_database_code_amcsd             0009258
_diffrn_ambient_temperature      304.65
_exptl_crystal_density_diffrn    3.206
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na Br'
_cod_database_code               9007464
_amcsd_formula_title             NaBr
Thermal expansion of sodium fluoride and sodium bromide Note: T = 82.7 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007465
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 82.7 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_structural     NaBr
_chemical_formula_sum            'Br Na'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.9879
_cell_length_b                   5.9879
_cell_length_c                   5.9879
_cell_formula_units_Z            4
_cell_volume                     214.696
_database_code_amcsd             0009259
_diffrn_ambient_temperature      355.85
_exptl_crystal_density_diffrn    3.183
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na Br'
_cod_database_code               9007465
_amcsd_formula_title             NaBr
Thermal expansion of sodium fluoride and sodium bromide Note: T = 119.4 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007466
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 119.4 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_structural     NaBr
_chemical_formula_sum            'Br Na'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.9985
_cell_length_b                   5.9985
_cell_length_c                   5.9985
_cell_formula_units_Z            4
_cell_volume                     215.838
_database_code_amcsd             0009260
_diffrn_ambient_temperature      392.55
_exptl_crystal_density_diffrn    3.166
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na Br'
_cod_database_code               9007466
_amcsd_formula_title             NaBr
Thermal expansion of sodium fluoride and sodium bromide Note: T = 160 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007467
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 160 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_structural     NaBr
_chemical_formula_sum            'Br Na'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.0110
_cell_length_b                   6.0110
_cell_length_c                   6.0110
_cell_formula_units_Z            4
_cell_volume                     217.190
_database_code_amcsd             0009261
_diffrn_ambient_temperature      433.15
_exptl_crystal_density_diffrn    3.147
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na Br'
_cod_database_code               9007467
_amcsd_formula_title             NaBr
Thermal expansion of sodium fluoride and sodium bromide Note: T = 252 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007468
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 252 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_structural     NaBr
_chemical_formula_sum            'Br Na'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.0389
_cell_length_b                   6.0389
_cell_length_c                   6.0389
_cell_formula_units_Z            4
_cell_volume                     220.228
_database_code_amcsd             0009262
_diffrn_ambient_temperature      525.15
_exptl_crystal_density_diffrn    3.103
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na Br'
_cod_database_code               9007468
_amcsd_formula_title             NaBr
Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O
Kleber, W.; Liebau, F.; Piatkowiak, E.; Acta Crystallographica 14 (1961) 795–795; doi:10.1107/S0365110X61002369

data_9007469
_publ_section_title
;
 Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              795
_journal_page_last               795
_journal_paper_doi               10.1107/S0365110X61002369
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Fe H8 O12 P2 Zn2'
_chemical_name_mineral           Phosphophyllite
_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                 120.25
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.23
_cell_length_b                   5.08
_cell_length_c                   10.49
_cell_volume                     470.919
_database_code_amcsd             0009263
_exptl_crystal_density_diffrn    3.164
_cod_original_formula_sum        'Fe Zn2 P2 O12 H8'
_cod_database_code               9007469
The crystal structure of the zeolite, phillipsite
Steinfink, H.; Acta Crystallographica 15 (1962) 644–651; doi:10.1107/S0365110X62001802

data_9007470
_publ_section_title
;
 The crystal structure of the zeolite, phillipsite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              644
_journal_page_last               651
_journal_paper_doi               10.1107/S0365110X62001802
_journal_volume                  15
_journal_year                    1962
_chemical_compound_source        'pelagic sediments of the Pacific Ocean'
_chemical_formula_sum            'Al2.48 H20 K0.5 Na2 O21 Si5.52'
_chemical_name_mineral           Phillipsite-Na
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'B -2b 2'
_symmetry_space_group_name_H-M   'B 2 m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.965
_cell_length_b                   14.252
_cell_length_c                   14.252
_cell_volume                     2024.086
_database_code_amcsd             0009270
_exptl_crystal_density_diffrn    2.112
_cod_original_formula_sum        'Na2 K.5 (Al2.48 Si5.52) O21 H20'
_cod_database_code               9007470
The crystal structure of yoderite
Fleet, S. G.; Megaw, H. D.; Acta Crystallographica 15 (1962) 721–728; doi:10.1107/S0365110X62001930

data_9007471
_publ_section_title
;
 The crystal structure of yoderite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              721
_journal_page_last               728
_journal_paper_doi               10.1107/S0365110X62001930
_journal_volume                  15
_journal_year                    1962
_chemical_compound_source        'Mautia Hill, Tanzania'
_chemical_formula_sum            'Al2.64 Ca0.12 Fe0.24 H Mg O10 Si2'
_chemical_name_mineral           Yoderite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.035
_cell_length_b                   5.805
_cell_length_c                   7.346
_cell_volume                     329.970
_database_code_amcsd             0009274
_exptl_crystal_density_diffrn    3.331
_cod_original_formula_sum        '(Mg Ca.12 Fe.24 Al2.64) Si2 O10 H'
_cod_database_code               9007471
Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O (leonhardtit) und FeSO4*4H2O (rozenit) Locality: synthetic
Baur, W. H.; Acta Crystallographica 15 (1962) 815–826; doi:10.1107/S0365110X62002200

data_9007472
_publ_section_title
;
 Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
 (leonhardtit) und FeSO4*4H2O (rozenit)
 Locality: synthetic
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   9
_journal_name_full               'Acta Crystallographica'
_journal_page_first              815
_journal_page_last               826
_journal_paper_doi               10.1107/S0365110X62002200
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'H16 Mg2 O16 S2'
_chemical_name_mineral           Starkeyite
_chemical_name_systematic        'Magnesium sulfate(VI) tetrahydrate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.85(17)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.922(6)
_cell_length_b                   13.604(4)
_cell_length_c                   7.905(5)
_cell_volume                     636.780
_database_code_amcsd             0009275
_exptl_crystal_density_diffrn    2.007
_refine_ls_R_factor_all          0.078
_cod_duplicate_entry             1100097
_cod_depositor_comments
;
  Z value inserted and formula changed to reflect dimeric nature
  Water oxygen renamed so they are treated as oxygens.
                               Miguel.
;
_cod_original_formula_sum        'Mg S O8 H8'
_cod_database_code               9007472
Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O (leonhardtit) und FeSO4*4H2O (rozenit) Locality: synthetic
Baur, W. H.; Acta Crystallographica 15 (1962) 815–826; doi:10.1107/S0365110X62002200

data_9007473
_publ_section_title
;
 Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
 (leonhardtit) und FeSO4*4H2O (rozenit)
 Locality: synthetic
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica'
_journal_page_first              815
_journal_page_last               826
_journal_paper_doi               10.1107/S0365110X62002200
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Fe2 H16 O16 S2'
_chemical_name_mineral           Rozenite
_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                 90.43
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.979
_cell_length_b                   13.648
_cell_length_c                   7.977
_cell_volume                     650.916
_database_code_amcsd             0009276
_exptl_crystal_density_diffrn    2.285
_cod_depositor_comments
;
  Z value inserted and formula chagend to reflect dimeric nature
  Water oxygen renamed so they are treated as oxygens.
                               Miguel.
;
_cod_original_formula_sum        'Fe S O8 H8'
_cod_database_code               9007473
The structure of bultfonteinite, Ca4Si2O10F2H6
McIver, E. J.; Acta Crystallographica 16 (1963) 551–558; doi:10.1107/S0365110X63001456

data_9007474
_publ_section_title
;
 The structure of bultfonteinite, Ca4Si2O10F2H6
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              551
_journal_page_last               558
_journal_paper_doi               10.1107/S0365110X63001456
_journal_volume                  16
_journal_year                    1963
_chemical_compound_source        'Bultfontein mine, Kimberley, South Africa'
_chemical_formula_sum            'Ca2 F H3 O5 Si'
_chemical_name_mineral           Bultfonteinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.95
_cell_angle_beta                 91.32
_cell_angle_gamma                89.85
_cell_formula_units_Z            4
_cell_length_a                   10.992
_cell_length_b                   8.185
_cell_length_c                   5.671
_cell_volume                     508.870
_database_code_amcsd             0009278
_exptl_crystal_density_diffrn    2.744
_cod_original_formula_sum        'Ca2 Si F (O5 H3)'
_cod_database_code               9007474