LMucko/crystallography-open-database huggingface dataset:
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009964
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 K2 Mg3 O30 Si12'
_chemical_name_mineral           Chayesite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.22
_cell_length_b                   10.22
_cell_length_c                   14.176
_cell_volume                     1282.290
_database_code_amcsd             0013386
_exptl_crystal_density_diffrn    2.797
_cod_original_formula_sum        'K2 (Mg3 Fe2) Si12 O30'
_cod_database_code               9009964
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009965
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K Mg5 Na O30 Si12'
_chemical_name_mineral           Eifelite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.152
_cell_length_b                   10.152
_cell_length_c                   14.28
_cell_volume                     1274.565
_database_code_amcsd             0013387
_exptl_crystal_density_diffrn    2.607
_cod_original_formula_sum        'K Na Mg5 Si12 O30'
_cod_database_code               9009965
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009966
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     K2Mg3Cu2Si12O30
_chemical_formula_sum            'Cu2 K2 Mg3 O30 Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.169
_cell_length_b                   10.169
_cell_length_c                   14.182
_cell_volume                     1270.061
_database_code_amcsd             0013388
_exptl_crystal_density_diffrn    2.864
_cod_original_formula_sum        'K2 (Mg3 Cu2) Si12 O30'
_cod_database_code               9009966
_amcsd_formula_title             K2Mg3Cu2Si12O30
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009967
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     K2Mg3Zn2Si12O30
_chemical_formula_sum            'K2 Mg3 O30 Si12 Zn2'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.199
_cell_length_b                   10.199
_cell_length_c                   14.145
_cell_volume                     1274.233
_database_code_amcsd             0013389
_exptl_crystal_density_diffrn    2.864
_cod_original_formula_sum        'K2 Mg3 Zn2 Si12 O30'
_cod_database_code               9009967
_amcsd_formula_title             K2Mg3Zn2Si12O30
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009968
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     Na2Mg5Si12O30
_chemical_formula_sum            'Mg5 Na2 O30 Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.151
_cell_length_b                   10.151
_cell_length_c                   14.288
_cell_formula_units_Z            2
_cell_volume                     1275.028
_database_code_amcsd             0013390
_exptl_crystal_density_diffrn    2.564
_cod_original_formula_sum        'Na2 Mg5 Si12 O30'
_cod_database_code               9009968
_amcsd_formula_title             Na2Mg5Si12O30
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009969
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     Na2Mg3Cu2Si12O30
_chemical_formula_sum            'Cu2 Mg3 Na2 O30 Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.096
_cell_length_b                   10.096
_cell_length_c                   14.25
_cell_formula_units_Z            2
_cell_volume                     1257.894
_database_code_amcsd             0013391
_exptl_crystal_density_diffrn    2.807
_cod_original_formula_sum        'Na2 (Mg3 Cu2) Si12 O30'
_cod_database_code               9009969
_amcsd_formula_title             Na2Mg3Cu2Si12O30
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009970
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     RbNaMg5Si12O30
_chemical_formula_sum            'Mg5 Na O30 Rb Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.135
_cell_length_b                   10.135
_cell_length_c                   14.376
_cell_formula_units_Z            2
_cell_volume                     1278.840
_database_code_amcsd             0013392
_exptl_crystal_density_diffrn    2.719
_cod_original_formula_sum        'Rb Na Mg5 Si12 O30'
_cod_database_code               9009970
_amcsd_formula_title             RbNaMg5Si12O30
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009971
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     K3Mg4LiSi12O30
_chemical_formula_sum            'K3 Li Mg4 O30 Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.253
_cell_length_b                   10.253
_cell_length_c                   14.04
_cell_volume                     1278.202
_database_code_amcsd             0013393
_exptl_crystal_density_diffrn    2.698
_cod_original_cell_volume        1278.203
_cod_original_formula_sum        'K3 Mg4 Li Si12 O30'
_cod_database_code               9009971
_amcsd_formula_title             K3Mg4LiSi12O30
Silicates synthetiques a structure milarite
Nguyen, N.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_9009972
_publ_section_title
;
 Silicates synthetiques a structure milarite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     Na3Mg4LiSi12O30
_chemical_formula_sum            'Li Mg4 Na3 O30 Si12'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.155
_cell_length_b                   10.155
_cell_length_c                   14.158
_cell_formula_units_Z            2
_cell_volume                     1264.423
_database_code_amcsd             0013394
_exptl_crystal_density_diffrn    2.601
_cod_original_formula_sum        'Na3 Mg4 Li Si12 O30'
_cod_database_code               9009972
_amcsd_formula_title             Na3Mg4LiSi12O30
The structure of thorisokite, a naturally occurring member of the bismuth oxyhalide group
Rouse, R. C.; Dunn, P. J.; Journal of Solid State Chemistry 57 (1985) 389–395; doi:10.1016/0022-4596(85)90204-X

data_9009973
_publ_section_title
;The structure of thorisokite, a naturally occurring member of the bismuth
 oxyhalide group
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              389
_journal_page_last               395
_journal_paper_doi               10.1016/0022-4596(85)90204-X
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'As0.2 Cl H0.5 O2 Pb1.5 Sb0.3'
_chemical_name_mineral           Thorikosite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.919
_cell_length_b                   3.919
_cell_length_c                   12.854
_cell_volume                     197.419
_database_code_amcsd             0013547
_exptl_crystal_density_diffrn    7.238
_cod_original_formula_sum        '(Pb1.5 Sb.3 As.2) O2 Cl H.5'
_cod_database_code               9009973
Structural study of halotrichite from Recsk (Matra Mts., N-Hungary)
Lovas, G. A.; Acta Geologica Hungarica 29 (1986) 389–398; doi:

data_9009974
_publ_section_title
;
 Structural study of halotrichite from Recsk (Matra Mts., N-Hungary)
;
_journal_name_full               'Acta Geologica Hungarica'
_journal_page_first              389
_journal_page_last               398
_journal_volume                  29
_journal_year                    1986
_chemical_compound_source        'Recsk, Matra Mountains, Hungary'
_chemical_formula_sum            'Al1.98 Fe0.99 H44 Mg0.02 Mn0.01 O38 S4'
_chemical_name_mineral           Halotrichite
_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                 100.30
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1954
_cell_length_b                   24.262
_cell_length_c                   21.262
_cell_volume                     3144.448
_database_code_amcsd             0011972
_exptl_crystal_density_diffrn    1.881
_cod_original_formula_sum        'Fe.99 Mg.02 Mn.01 Al1.98 S4 O38 H44'
_cod_database_code               9009974
The crystal and molecular structure of coronene Locality: synthetic
Fawcett J K; Trotter J; Proceedings of the Royal Society of London A 289 (1966) 366–376; doi:10.1098/rspa.1966.0017

data_9009975
_publ_section_title
;
 The crystal and molecular structure of coronene
 Locality: synthetic
;
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              366
_journal_page_last               376
_journal_paper_doi               10.1098/rspa.1966.0017
_journal_volume                  289
_journal_year                    1966
_chemical_formula_sum            'C24 H12'
_chemical_name_mineral           Carpathit
_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                 110.9
_cell_angle_gamma                90
_cell_length_a                   16.11
_cell_length_b                   4.70
_cell_length_c                   10.10
_cell_formula_units_Z            2
_cell_volume                     714.425
_cod_depositor_comments
;

2024-05-06
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C2 H'
_cod_database_code               9009975
_database_code_amcsd 0015361
Structure of an amphibole from Simlipal granite, India
Guha, R.; Nag, D. K.; Iyengar, S. V. P.; Indian Minerals 41 (1987) 32–41; doi:

data_9009976
_publ_section_title
;
 Structure of an amphibole from Simlipal granite, India
;
_journal_name_full               'Indian Minerals'
_journal_page_first              32
_journal_page_last               41
_journal_volume                  41
_journal_year                    1987
_chemical_compound_source        'Simlipal granite, India'
_chemical_formula_sum            'Ca2 Fe5 Na O24 Si8'
_chemical_name_mineral           Ferrohornblende
_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                 105.05
_cell_angle_gamma                90
_cell_length_a                   9.984
_cell_length_b                   18.223
_cell_length_c                   5.327
_cell_formula_units_Z            2
_cell_volume                     935.943
_database_code_amcsd             0012672
_exptl_crystal_density_diffrn    3.517
_cod_original_formula_sum        'Na Ca2 Fe5 Si8 O24'
_cod_database_code               9009976
Structure and disorder in schultenite, lead hydrogen arsenate
Wilson, C. C.; Cox, P. J.; Stewart, N. S.; Journal of Crystallographic and Spectroscopic Research 21 (1991) 589–593; doi:10.1007/BF01161081

data_9009977
_publ_section_title
;
 Structure and disorder in schultenite, lead hydrogen arsenate
;
_journal_name_full
'Journal of Crystallographic and Spectroscopic Research'
_journal_page_first              589
_journal_page_last               593
_journal_paper_doi               10.1007/BF01161081
_journal_volume                  21
_journal_year                    1991
_chemical_formula_sum            'As H O4 Pb'
_chemical_name_mineral           Schultenite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.07
_cell_angle_gamma                90
_cell_length_a                   4.930
_cell_length_b                   6.772
_cell_length_c                   5.859
_cell_formula_units_Z            2
_cell_volume                     194.512
_database_code_amcsd             0013023
_exptl_crystal_density_diffrn    5.927
_cod_original_formula_sum        'Pb H As O4'
_cod_database_code               9009977
X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 26 C Note: Reported structure does not reproduce reported formula or bondlengths
Perdikatsis, B.; Materials Science Forum  (1991) 809–814; doi:10.4028/www.scientific.net/MSF.79-82.809

data_9009978
_publ_section_title
;
 X-ray powder diffraction study of francolite by the Rietveld method
 Sample: T = 26 C
 Note: Reported structure does not reproduce reported formula or bondlengths
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              809
_journal_page_last               814
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.809
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        'Epirus, Greece'
_chemical_formula_sum            'Ca2.019 F0.165 O8.832 P1.182'
_chemical_name_mineral           Carbonate-fluorapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3207
_cell_length_b                   9.3207
_cell_length_c                   6.8947
_cell_formula_units_Z            2
_cell_volume                     518.732
_database_code_amcsd             0014385
_diffrn_ambient_temperature      299.15
_exptl_crystal_density_diffrn    1.677
_cod_original_formula_sum        'Ca2.019 P1.182 O8.832 F.165'
_cod_database_code               9009978
X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 530 C Note: Reported structure does not reproduce reported formula or bondlengths
Perdikatsis, B.; Materials Science Forum  (1991) 809–814; doi:10.4028/www.scientific.net/MSF.79-82.809

data_9009979
_publ_section_title
;
 X-ray powder diffraction study of francolite by the Rietveld method
 Sample: T = 530 C
 Note: Reported structure does not reproduce reported formula or bondlengths
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              809
_journal_page_last               814
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.809
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        'Epirus, Greece'
_chemical_formula_sum            'Ca2.07 F0.163 O8.922 P1.239'
_chemical_name_mineral           Carbonate-fluorapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3230
_cell_length_b                   9.3230
_cell_length_c                   6.8987
_cell_formula_units_Z            2
_cell_volume                     519.289
_database_code_amcsd             0014386
_diffrn_ambient_temperature      803.15
_exptl_crystal_density_diffrn    1.709
_cod_original_formula_sum        'Ca2.07 P1.239 O8.922 F.163'
_cod_database_code               9009979
X-ray powder diffraction study of francolite by the Rietveld method Sample: T = 750 C Note: Reported structure does not reproduce reported formula or bondlengths
Perdikatsis, B.; Materials Science Forum  (1991) 809–814; doi:10.4028/www.scientific.net/MSF.79-82.809

data_9009980
_publ_section_title
;
 X-ray powder diffraction study of francolite by the Rietveld method
 Sample: T = 750 C
 Note: Reported structure does not reproduce reported formula or bondlengths
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              809
_journal_page_last               814
_journal_paper_doi               10.4028/www.scientific.net/MSF.79-82.809
_journal_volume                  79-82
_journal_year                    1991
_chemical_compound_source        'Epirus, Greece'
_chemical_formula_sum            'Ca2.108 F0.171 O8.817 P1.362'
_chemical_name_mineral           Carbonate-fluorapatite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3593
_cell_length_b                   9.3593
_cell_length_c                   6.8919
_cell_formula_units_Z            2
_cell_volume                     522.825
_database_code_amcsd             0014387
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    1.721
_cod_original_formula_sum        'Ca2.108 P1.362 O8.817 F.171'
_cod_database_code               9009980