LMucko/crystallography-open-database huggingface dataset:
The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 100 K
Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.; The Canadian Mineralogist 46 (2008) 1465–1476; doi:10.3749/canmin.46.6.1465

data_9013316
_publ_section_title
;
 The mechanism of coupling in the modulated structure of nepheline
 Note: annealed
 Note: T = 100 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1465
_journal_page_last               1476
_journal_paper_doi               10.3749/canmin.46.6.1465
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Snipe River, Tambani, Malawi'
_chemical_formula_sum            'Al3.84 K0.57 Na3.24 O16 Si4.16'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9685
_cell_length_b                   9.9685
_cell_length_c                   8.3608
_cell_formula_units_Z            2
_cell_volume                     719.512
_database_code_amcsd             0006207
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.646
_exptl_crystal_thermal_history   'annealed Note: T = 100 K'
_cod_original_formula_sum        'K.57 Na3.24 (Al3.84 Si4.16) O16'
_cod_database_code               9013316
The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 15 K
Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.; The Canadian Mineralogist 46 (2008) 1465–1476; doi:10.3749/canmin.46.6.1465

data_9013317
_publ_section_title
;
 The mechanism of coupling in the modulated structure of nepheline
 Note: annealed
 Note: T = 15 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1465
_journal_page_last               1476
_journal_paper_doi               10.3749/canmin.46.6.1465
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Snipe River, Tambani, Malawi'
_chemical_formula_sum            'Al3.84 K0.57 Na3.24 O16 Si4.16'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9801
_cell_length_b                   9.9801
_cell_length_c                   8.3707
_cell_formula_units_Z            2
_cell_volume                     722.042
_database_code_amcsd             0006208
_diffrn_ambient_temperature      15
_exptl_crystal_density_diffrn    2.637
_exptl_crystal_thermal_history   'annealed Note: T = 15 K'
_cod_original_cell_volume        722.041
_cod_original_formula_sum        'K.57 Na3.24 (Al3.84 Si4.16) O16'
_cod_database_code               9013317
The mechanism of coupling in the modulated structure of nepheline Note: annealed Note: T = 298 K
Angel, R. J.; Gatta, G. C.; Boffa Ballaran, T.; Carpenter, M. A.; The Canadian Mineralogist 46 (2008) 1465–1476; doi:10.3749/canmin.46.6.1465

data_9013318
_publ_section_title
;
 The mechanism of coupling in the modulated structure of nepheline
 Note: annealed
 Note: T = 298 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1465
_journal_page_last               1476
_journal_paper_doi               10.3749/canmin.46.6.1465
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Snipe River, Tambani, Malawi'
_chemical_formula_sum            'Al3.84 K0.57 Na3.24 O16 Si4.16'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9867
_cell_length_b                   9.9861
_cell_length_c                   8.3697
_cell_formula_units_Z            2
_cell_volume                     722.867
_database_code_amcsd             0006209
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    2.633
_exptl_crystal_thermal_history   'annealed Note: T = 298 K'
_cod_original_formula_sum        'K.57 Na3.24 (Al3.84 Si4.16) O16'
_cod_database_code               9013318
State-of-the-art high-resolution powder X-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: Gouverneur district, New York
Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.; The Canadian Mineralogist 46 (2008) 1501–1509; doi:10.3749/canmin.46.5.1501

data_9013319
_publ_section_title
;State-of-the-art high-resolution powder X-ray diffraction (HRPXRD)
 illustrated with Rietveld structure refinement of quartz, sodalite,
 tremolite, and meionite Locality: Gouverneur district, New York
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1501
_journal_page_last               1509
_journal_paper_doi               10.3749/canmin.46.5.1501
_journal_volume                  46
_journal_year                    2008
_chemical_formula_sum
'Al0.2 Ca1.8 F0.66 Fe0.06 K0.12 Mg4.94 Na0.38 O23.34 Si7.8'
_chemical_name_mineral           Tremolite
_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                 104.7566
_cell_angle_gamma                90
_cell_length_a                   9.85145
_cell_length_b                   18.02911
_cell_length_c                   5.273416
_cell_formula_units_Z            2
_cell_volume                     905.733
_exptl_crystal_density_diffrn    3.005
_cod_original_formula_sum
'Na.38 Ca1.8 K.12 Mg4.94 Fe.06 Si7.8 Al.2 O23.34 F.66'
_cod_database_code               9013319
State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: Bancroft, Ontario
Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.; The Canadian Mineralogist 46 (2008) 1501–1509; doi:10.3749/canmin.46.5.1501

data_9013320
_publ_section_title
;State-of-the-art high-resolution powder x-ray diffraction (HRPXRD)
 illustrated with Rietveld structure refinement of quartz, sodalite,
 tremolite, and meionite Locality: Bancroft, Ontario
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1501
_journal_page_last               1509
_journal_paper_doi               10.3749/canmin.46.5.1501
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Bancroft, Ontario'
_chemical_formula_sum            'Al3 Cl Na4 O12 Si3'
_chemical_name_mineral           Sodalite
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.880679
_cell_length_b                   8.880679
_cell_length_c                   8.880679
_cell_formula_units_Z            2
_cell_volume                     700.388
_database_code_amcsd             0006211
_exptl_crystal_density_diffrn    2.298
_cod_original_formula_sum        'Na4 Al3 Si3 O12 Cl'
_cod_database_code               9013320
State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: not specified
Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.; The Canadian Mineralogist 46 (2008) 1501–1509; doi:10.3749/canmin.46.5.1501

data_9013321
_publ_section_title
;State-of-the-art high-resolution powder x-ray diffraction (HRPXRD)
 illustrated with Rietveld structure refinement of quartz, sodalite,
 tremolite, and meionite Locality: not specified
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1501
_journal_page_last               1509
_journal_paper_doi               10.3749/canmin.46.5.1501
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'not specified'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.913437
_cell_length_b                   4.913437
_cell_length_c                   5.405118
_cell_formula_units_Z            3
_cell_volume                     113.007
_database_code_amcsd             0006212
_exptl_crystal_density_diffrn    2.649
_cod_original_formula_sum        'Si O2'
_cod_database_code               9013321
State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite Locality: Slyudyanka, Siberia, Russia
Antao, S. M.; Hassan, I.; Wang, J.; Lee, P. L.; Toby, B. H.; The Canadian Mineralogist 46 (2008) 1501–1509; doi:10.3749/canmin.46.5.1501

data_9013322
_publ_section_title
;State-of-the-art high-resolution powder x-ray diffraction (HRPXRD)
 illustrated with Rietveld structure refinement of quartz, sodalite,
 tremolite, and meionite Locality: Slyudyanka, Siberia, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1501
_journal_page_last               1509
_journal_paper_doi               10.3749/canmin.46.5.1501
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Slyudyanka, Siberia, Russia'
_chemical_formula_sum
'C0.668 Al5.16 Ca3.248 Na0.752 O26.948 S0.235 Si6.84'
_chemical_name_mineral           Meionite
_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                   12.16559
_cell_length_b                   12.16559
_cell_length_c                   7.57446
_cell_formula_units_Z            2
_cell_volume                     1121.032
_database_code_amcsd             0006213
_exptl_crystal_density_diffrn    2.742
_cod_original_formula_sum
'(Ca3.248 Na.752) (Si6.84 Al5.16) O26.948 C.668 S.235'
_cod_database_code               9013322
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S1
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013323
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Pamir, Tajikistan Note: S1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Pamir, Tajikistan'
_chemical_formula_sum
'C0.01 Al3.12 Ca0.2 Cl0.98 K0.28 Na3.52 O24.07 S0.01 Si8.88'
_chemical_name_mineral           Scapolite
_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                   12.0570
_cell_length_b                   12.0570
_cell_length_c                   7.5644
_cell_formula_units_Z            2
_cell_volume                     1099.646
_database_code_amcsd             0006214
_exptl_crystal_density_diffrn    2.578
_cod_original_formula_sum
'(Ca.2 Na3.52 K.28) Al3.12 Si8.88 O24.07 (Cl.98 C.01 S.01)'
_cod_database_code               9013323
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S2
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013324
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Pamir, Tajikistan Note: S2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Pamir, Tajikistan'
_chemical_formula_sum
'C0.03 Al3.2 Ca0.28 Cl0.96 K0.24 Na3.48 O24.13 S0.01 Si8.8'
_chemical_name_mineral           Scapolite
_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                   12.0541
_cell_length_b                   12.0541
_cell_length_c                   7.5682
_cell_formula_units_Z            2
_cell_volume                     1099.670
_database_code_amcsd             0006215
_exptl_crystal_density_diffrn    2.582
_cod_original_formula_sum
'(Ca.28 Na3.48 K.24) Al3.2 Si8.8 O24.13 (Cl.96 C.03 S.01)'
_cod_database_code               9013324
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S3
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013325
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Pamir, Tajikistan Note: S3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Pamir, Tajikistan'
_chemical_formula_sum
'C0.03 Al3.28 Ca0.36 Cl0.95 K0.24 Na3.44 O24.17 S0.02 Si8.72'
_chemical_name_mineral           Scapolite
_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                   12.0566
_cell_length_b                   12.0566
_cell_length_c                   7.5696
_cell_formula_units_Z            2
_cell_volume                     1100.329
_database_code_amcsd             0006216
_exptl_crystal_density_diffrn    2.589
_cod_original_formula_sum
'Ca.36 Na3.44 K.24 Al3.28 Si8.72 O24.17 (Cl.95 C.03 S.02)'
_cod_database_code               9013325
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S4
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013326
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Pamir, Tajikistan Note: S4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Pamir, Tajikistan'
_chemical_formula_sum
'C0.05 Al3.2 Ca0.32 Cl0.94 K0.24 Na3.44 O24.19 S0.01 Si8.8'
_chemical_name_mineral           Scapolite
_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                   12.0538
_cell_length_b                   12.0538
_cell_length_c                   7.5714
_cell_formula_units_Z            2
_cell_volume                     1100.080
_database_code_amcsd             0006217
_exptl_crystal_density_diffrn    2.584
_cod_original_formula_sum
'(Ca.32 Na3.44 K.24) Al3.2 Si8.8 O24.19 (Cl.94 C.05 S.01)'
_cod_database_code               9013326
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S5
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013327
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Pamir, Tajikistan Note: S5
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Pamir, Tajikistan'
_chemical_formula_sum
'C0.08 Al3.52 Ca0.6 Cl0.89 K0.12 Na3.28 O24.36 S0.03 Si8.56'
_chemical_name_mineral           Scapolite
_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                   12.0471
_cell_length_b                   12.0471
_cell_length_c                   7.5793
_cell_formula_units_Z            2
_cell_volume                     1100.004
_database_code_amcsd             0006218
_exptl_crystal_density_diffrn    2.605
_cod_original_formula_sum
'(Ca.6 Na3.28 K.12) Al3.52 Si8.56 O24.36 (Cl.89 C.08 S.03)'
_cod_database_code               9013327
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Pamir, Tajikistan Note: S6
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013328
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Pamir, Tajikistan Note: S6
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        'Pamir, Tajikistan'
_chemical_formula_sum
'C0.13 Al3.68 Ca0.84 Cl0.85 K0.04 Na3.12 O40.51 S0.03 Si8.4'
_chemical_name_mineral           Scapolite
_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                   12.0450
_cell_length_b                   12.0450
_cell_length_c                   7.5826
_cell_formula_units_Z            2
_cell_volume                     1100.099
_database_code_amcsd             0006219
_exptl_crystal_density_diffrn    3.390
_cod_original_formula_sum
'(Ca.84 Na3.12 K.04) Al3.68 Si8.4 O40.51 Cl.85 C.13 S.03'
_cod_database_code               9013328
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Tanzania Note: S7
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013329
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Tanzania Note: S7
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        Tanzania
_chemical_formula_sum
'C0.17 Al3.76 Ca1.08 Cl0.76 K0.28 Na2.68 O36.79 S0.07 Si8.24'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0720
_cell_length_b                   12.0720
_cell_length_c                   7.5854
_cell_formula_units_Z            2
_cell_volume                     1105.444
_database_code_amcsd             0006220
_exptl_crystal_density_diffrn    3.210
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'Na2.68 Ca1.08 K.28 Al3.76 Si8.24 O36.79 (Cl.76 C.17 S.07)'
_cod_database_code               9013329
The crystal chemistry of the scapolite-group minerals. I. crystal structure and long-range order Locality: Madagascar Note: S8
Sokolova, E.; Hawthorne, F. C.; The Canadian Mineralogist 46 (2008) 1527–1554; doi:10.3749/canmin.46.6.1527

data_9013330
_publ_section_title
;The crystal chemistry of the scapolite-group minerals. I. crystal structure
 and long-range order Locality: Madagascar Note: S8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1527
_journal_page_last               1554
_journal_paper_doi               10.3749/canmin.46.6.1527
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        Madagascar
_chemical_formula_sum
'C0.72 Al3.8 Ca1.16 Cl0.73 K0.28 Na2.56 O46.52 S0.09 Si8.2'
_chemical_name_mineral           Scapolite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0753
_cell_length_b                   12.0753
_cell_length_c                   7.5864
_cell_formula_units_Z            2
_cell_volume                     1106.195
_database_code_amcsd             0006221
_exptl_crystal_density_diffrn    3.695
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum
'(Na2.56 Ca1.16 K.28) (Al3.8 Si8.2) O46.52 Cl.73 C.72 S.09'
_cod_database_code               9013330