LMucko/crystallography-open-database huggingface dataset:
Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the N'chwaning mine, Kalahari manganese field, South Africa
Nyfeler, D.; Armbruster, T.; Dixon, R.; Bermanec, V.; American Mineralogist 80 (1995) 377–386; doi:

data_9016767
_publ_section_title
;
 Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the
 N'chwaning mine, Kalahari manganese field, South Africa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              377
_journal_page_last               386
_journal_volume                  80
_journal_year                    1995
_chemical_compound_source        'N'chwaning mine, South Africa'
_chemical_formula_sum
'Al0.012 Ca0.008 Fe0.008 H4 Mg0.106 Mn1.85 O6 Si'
_chemical_name_mineral           Nchwaningite
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.672
_cell_length_b                   7.217
_cell_length_c                   5.341
_cell_formula_units_Z            4
_cell_volume                     488.455
_database_code_amcsd             0001731
_exptl_crystal_density_diffrn    3.174
_cod_data_source_file            inputs/fixed/downloads/01/01753.cif
_cod_data_source_block           01753
_cod_original_formula_sum        'Mn1.85 Mg.106 Al.012 Fe.008 Ca.008 Si O6 H4'
_cod_database_code               9016767
Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from Mont Saint-Hilaire, Quebec Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints. Note: U(2,3) for O2 changed to match symmetry constraints.
Grice, J. D.; Chao, G. Y.; American Mineralogist 82 (1997) 1255–1260; doi:

data_9016768
_publ_section_title
;
 Lukechangite-(Ce), a new rare-earth-fluorocarbonate mineral from
 Mont Saint-Hilaire, Quebec
 Note: U(1,2) for Na1, O1, O2 and F changed to match symmetry constraints.
 Note: U(2,3) for O2 changed to match symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1255
_journal_page_last               1260
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C4 Ce2 F Na3 O12'
_chemical_name_mineral           Lukechangite-(Ce)
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_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                   5.0612
_cell_length_b                   5.0612
_cell_length_c                   22.820
_cell_formula_units_Z            2
_cell_volume                     506.236
_database_code_amcsd             0001952
_exptl_crystal_density_diffrn    3.990
_cod_data_source_file            inputs/fixed/downloads/01/01976.cif
_cod_data_source_block           01976
_cod_original_formula_sum        'Na3 Ce2 C4 O12 F'
_cod_database_code               9016768
Hartite from Bilina
Bouska, V.; Cisarova, I.; Skala, R.; Dvorak, A.; Zelinka, J.; Zak, K.; American Mineralogist 83 (1998) 1340–1346; doi:

data_9016769
_publ_section_title
;
 Hartite from Bilina
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1340
_journal_page_last               1346
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'C20 H34'
_chemical_name_mineral           Hartite
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                93.941
_cell_angle_beta                 100.750
_cell_angle_gamma                80.499
_cell_length_a                   11.407
_cell_length_b                   20.952
_cell_length_c                   7.4060
_cell_formula_units_Z            4
_cell_volume                     1713.798
_database_code_amcsd             0002053
_exptl_crystal_density_diffrn    0.931
_cod_data_source_file            inputs/fixed/downloads/02/02077.cif
_cod_data_source_block           02077
_cod_database_code               9016769
_cod_depositor_comments
;

2024-05-27
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            C5
Dehydration dynamics of analcime by in situ synchrotron powder diffraction Sample at T = 632 K
Cruciani, G.; Gualtieri, A.; American Mineralogist 84 (1999) 112–119; doi:

data_9016770
_publ_section_title
;
 Dehydration dynamics of analcime by in situ synchrotron powder diffraction
 Sample at T = 632 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              112
_journal_page_last               119
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.95 H0.44 Na0.9 O6.22 Si2.05'
_chemical_name_mineral           Analcime
_space_group_IT_number           142
_space_group_name_Hall           '-I 4bd 2c'
_space_group_name_H-M_alt        'I 41/a c d :2'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.6717
_cell_length_b                   13.6717
_cell_length_c                   13.5996
_cell_volume                     2541.974
_database_code_amcsd             0002063
_diffrn_ambient_temperature      632
_exptl_crystal_density_diffrn    2.131
_cod_data_source_file            inputs/fixed/downloads/02/02087.cif
_cod_data_source_block           02087
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        '(Si2.05 Al.95) Na.9 O6.22 H.44'
_cod_database_code               9016770
_cod_duplicate_entry 9002001
Order-disorder process in the tetrahedral sites af albite Sample: untreated
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016771
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: untreated
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94.23
_cell_angle_beta                 116.64
_cell_angle_gamma                87.72
_cell_formula_units_Z            4
_cell_length_a                   8.133
_cell_length_b                   12.773
_cell_length_c                   7.159
_cell_volume                     662.918
_database_code_amcsd             0002264
_exptl_crystal_density_diffrn    2.632
_cod_data_source_file            inputs/fixed/downloads/02/02288.cif
_cod_data_source_block           02288
_cod_original_formula_sum        'Na.996 Ca.01 K.004 Al Si3 O8'
_cod_database_code               9016771
Order-disorder process in the tetrahedral sites af albite Sample: 1050-3d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016772
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1050-3d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94.04
_cell_angle_beta                 116.56
_cell_angle_gamma                87.98
_cell_formula_units_Z            4
_cell_length_a                   8.141
_cell_length_b                   12.795
_cell_length_c                   7.145
_cell_volume                     664.049
_database_code_amcsd             0002265
_exptl_crystal_density_diffrn    2.628
_cod_data_source_file            inputs/fixed/downloads/02/02289.cif
_cod_data_source_block           02289
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016772
Order-disorder process in the tetrahedral sites af albite Sample: 1060-6d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016773
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1060-6d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.79
_cell_angle_beta                 116.53
_cell_angle_gamma                88.09
_cell_formula_units_Z            4
_cell_length_a                   8.170
_cell_length_b                   12.811
_cell_length_c                   7.141
_cell_volume                     667.248
_database_code_amcsd             0002266
_exptl_crystal_density_diffrn    2.615
_cod_data_source_file            inputs/fixed/downloads/02/02290.cif
_cod_data_source_block           02290
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016773
Order-disorder process in the tetrahedral sites af albite Sample: 1070-7d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016774
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1070-7d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.94
_cell_angle_beta                 116.54
_cell_angle_gamma                88.46
_cell_formula_units_Z            4
_cell_length_a                   8.140
_cell_length_b                   12.791
_cell_length_c                   7.132
_cell_volume                     662.748
_database_code_amcsd             0002267
_exptl_crystal_density_diffrn    2.633
_cod_data_source_file            inputs/fixed/downloads/02/02291.cif
_cod_data_source_block           02291
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016774
Order-disorder process in the tetrahedral sites af albite Sample: 1080-7d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016775
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1080-7d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                94.00
_cell_angle_beta                 116.51
_cell_angle_gamma                88.13
_cell_formula_units_Z            4
_cell_length_a                   8.142
_cell_length_b                   12.782
_cell_length_c                   7.136
_cell_volume                     662.946
_database_code_amcsd             0002268
_exptl_crystal_density_diffrn    2.632
_cod_data_source_file            inputs/fixed/downloads/02/02292.cif
_cod_data_source_block           02292
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016775
Order-disorder process in the tetrahedral sites af albite Sample: 1080-10d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016776
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1080-10d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.81
_cell_angle_beta                 116.54
_cell_angle_gamma                88.48
_cell_formula_units_Z            4
_cell_length_a                   8.154
_cell_length_b                   12.794
_cell_length_c                   7.129
_cell_volume                     663.868
_database_code_amcsd             0002269
_exptl_crystal_density_diffrn    2.628
_cod_data_source_file            inputs/fixed/downloads/02/02293.cif
_cod_data_source_block           02293
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016776
Order-disorder process in the tetrahedral sites af albite Sample: 1090-7d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016777
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1090-7d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.72
_cell_angle_beta                 116.42
_cell_angle_gamma                88.61
_cell_formula_units_Z            4
_cell_length_a                   8.160
_cell_length_b                   12.802
_cell_length_c                   7.130
_cell_volume                     665.624
_database_code_amcsd             0002270
_exptl_crystal_density_diffrn    2.621
_cod_data_source_file            inputs/fixed/downloads/02/02294.cif
_cod_data_source_block           02294
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016777
Order-disorder process in the tetrahedral sites af albite Sample: 1090-12d
Meneghinello, E.; Alberti, A.; Cruciani, G.; American Mineralogist 84 (1999) 1144–1151; doi:

data_9016778
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: 1090-12d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Stintino, Sardinia, Italy'
_chemical_formula_sum            'Al Ca0.01 K0.004 Na0.996 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.46
_cell_angle_beta                 116.52
_cell_angle_gamma                89.72
_cell_formula_units_Z            4
_cell_length_a                   8.152
_cell_length_b                   12.831
_cell_length_c                   7.110
_cell_volume                     664.026
_database_code_amcsd             0002271
_exptl_crystal_density_diffrn    2.628
_cod_data_source_file            inputs/fixed/downloads/02/02295.cif
_cod_data_source_block           02295
_cod_original_formula_sum        'Na.996 Ca.01 K.004 (Al Si3) O8'
_cod_database_code               9016778
High-pressure behaviour of bikitaite: An integrated theoretical and experimental approach Sample at P = 0 GPa
Ferro, O.; Quartieri, S.; Vezzalini, G.; Fois, E.; Gamba, A.; Tabacchi, G.; American Mineralogist 87 (2002) 1415–1425; doi:

data_9016779
_publ_section_title
;
 High-pressure behaviour of bikitaite: An integrated theoretical
 and experimental approach
 Sample at P = 0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1415
_journal_page_last               1425
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al H2 Li O7 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.94
_cell_angle_beta                 114.407
_cell_angle_gamma                89.98
_cell_length_a                   8.6061
_cell_length_b                   4.9573
_cell_length_c                   7.5970
_cell_formula_units_Z            2
_cell_volume                     295.146
_database_code_amcsd             0002910
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    2.297
_cod_data_source_file            inputs/fixed/downloads/02/02937.cif
_cod_data_source_block           02937
_cod_original_formula_sum        'Li Si2 Al O7 H2'
_cod_database_code               9016779
The structure of metahohmannite, Fe2[O(SO4)2].4H2O, by in situ synchrotron powder diffraction
Scordari, F.; Ventruti, G.; Gualtieri, A. F.; American Mineralogist 89 (2004) 365–370; doi:

data_9016780
_publ_section_title
;
 The structure of metahohmannite, Fe2[O(SO4)2].4H2O,
 by in situ synchrotron powder diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              365
_journal_page_last               370
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum            'Fe2 H8 O13 S2'
_chemical_name_mineral           Metahohmannite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.684
_cell_angle_beta                 98.523
_cell_angle_gamma                86.390
_cell_formula_units_Z            2
_cell_length_a                   7.3484
_cell_length_b                   9.7710
_cell_length_c                   7.1521
_cell_volume                     506.746
_database_code_amcsd             0003421
_exptl_crystal_density_diffrn    2.568
_cod_data_source_file            inputs/fixed/downloads/03/03451.cif
_cod_data_source_block           03451
_cod_original_formula_sum        'Fe2 S2 O13 H8'
_cod_database_code               9016780
_cod_duplicate_entry 9003332
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 100 C
Lee, Y.; Hriljac, J. A.; Vogt, T.; American Mineralogist 90 (2005) 247–251; doi:

data_9016781
_publ_section_title
;
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 100 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum            'Al2.315 Ca0.474 H4.74 Na1.462 O12.37 Si2.685'
_chemical_name_mineral           Gonnardite
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0666
_cell_length_b                   13.0666
_cell_length_c                   6.6632
_cell_volume                     1137.648
_database_code_amcsd             0003723
_diffrn_ambient_temperature      373.15
_exptl_crystal_density_diffrn    2.296
_cod_data_source_file            inputs/fixed/downloads/03/03755.cif
_cod_data_source_block           03755
_cod_original_formula_sum        '(Si2.685 Al2.315) O12.37 Na1.462 Ca.474 H4.74'
_cod_database_code               9016781
_cod_duplicate_entry 9003630
Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire: Synchrotron X-ray powder diffraction and Rietveld analysis Sample: T = 200 C
Lee, Y.; Hriljac, J. A.; Vogt, T.; American Mineralogist 90 (2005) 247–251; doi:

data_9016782
_publ_section_title
;
 Variable-temperature structural studies of tetranatrolite from Mt. Saint-Hilaire:
 Synchrotron X-ray powder diffraction and Rietveld analysis
 Sample: T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              247
_journal_page_last               251
_journal_volume                  90
_journal_year                    2005
_chemical_formula_sum
'Al2.315 Ca0.474 H4.204 Na1.462 O12.102 Si2.685'
_chemical_name_mineral           Gonnardite
_space_group_IT_number           122
_space_group_name_Hall           'I -4 2bw'
_space_group_name_H-M_alt        'I -4 2 d'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.9815
_cell_length_b                   12.9815
_cell_length_c                   6.6808
_cell_volume                     1125.844
_database_code_amcsd             0003724
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    2.291
_cod_data_source_file            inputs/fixed/downloads/03/03756.cif
_cod_data_source_block           03756
_cod_original_formula_sum
'(Si2.685 Al2.315) O12.102 Na1.462 Ca.474 H4.204'
_cod_database_code               9016782
_cod_duplicate_entry 9003631