LMucko/crystallography-open-database huggingface dataset:
Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 296 K
Fechtelkord, M.; Stief, F.; Buhl, J.-C.; American Mineralogist 86 (2001) 165–175; doi:

data_9002534
_publ_section_title
;Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na
 and H MAS NMR study and high temperature Rietveld structure refinement
 Sample: T = 296 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              165
_journal_page_last               175
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al3 H1.17 N0.87 Na3.96 O15.78 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.6666
_cell_length_b                   12.6666
_cell_length_c                   5.1808
_cell_volume                     719.859
_database_code_amcsd             0002623
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    2.409
_cod_original_formula_sum        'Na3.96 Si3 Al3 O15.78 N.87 H1.17'
_cod_database_code               9002534
Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 673 K
Fechtelkord, M.; Stief, F.; Buhl, J.-C.; American Mineralogist 86 (2001) 165–175; doi:

data_9002535
_publ_section_title
;Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na
 and H MAS NMR study and high temperature Rietveld structure refinement
 Sample: T = 673 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              165
_journal_page_last               175
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al3 H0.08 N0.82 Na3.87 O14.54 Si3'
_chemical_name_mineral           Cancrinite
_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_formula_units_Z            2
_cell_length_a                   12.7261
_cell_length_b                   12.7261
_cell_length_c                   5.2214
_cell_volume                     732.332
_database_code_amcsd             0002624
_diffrn_ambient_temperature      673
_exptl_crystal_density_diffrn    2.260
_cod_original_formula_sum        'Na3.87 Si3 Al3 O14.54 N.82 H.08'
_cod_database_code               9002535
O-D...O bond geometry in OD-chondrodite
Lager, G. A.; Ulmer, P.; Miletich, R.; Marshall, W. G.; American Mineralogist 86 (2001) 176–180; doi:

data_9002536
_publ_section_title
;
 O-D...O bond geometry in OD-chondrodite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               180
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'D4 Mg5 O10 Si2'
_chemical_name_mineral           'Chondrodite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                108.678
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.74711
_cell_length_b                   10.34888
_cell_length_c                   7.90228
_cell_formula_units_Z            2
_cell_volume                     367.771
_exptl_crystal_density_diffrn    3.122
_cod_original_formula_sum        'Mg5 Si2 O10 D4'
_cod_database_code               9002536
_database_code_amcsd 0002625
Refinement of hydrogen positions in synthetic hydroxyl-clinohumite by powder neutron diffraction
Berry, A. J.; James, M.; American Mineralogist 86 (2001) 181–184; doi:

data_9002537
_publ_section_title
;
 Refinement of hydrogen positions in synthetic hydroxyl-clinohumite
 by powder neutron diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              181
_journal_page_last               184
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'D2 Mg9 O18 Si4'
_chemical_name_mineral           'Hydroxylclinohumite (deuterated)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                100.63
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7488
_cell_length_b                   10.2875
_cell_length_c                   13.6967
_cell_formula_units_Z            2
_cell_volume                     657.646
_exptl_crystal_density_diffrn    3.147
_cod_original_formula_sum        'Mg9 Si4 O18 D2'
_cod_database_code               9002537
_database_code_amcsd 0002626
In situ dehydration of yugawaralite Sample: at T = 315 K
Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.; American Mineralogist 86 (2001) 185–192; doi:

data_9002538
_publ_section_title
;
 In situ dehydration of yugawaralite
 Sample: at T = 315 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              185
_journal_page_last               192
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al2 Ca O20.29 Si6'
_chemical_name_mineral           Yugawaralite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.189
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.73200
_cell_length_b                   14.0157
_cell_length_c                   10.0607
_cell_volume                     885.087
_database_code_amcsd             0002627
_diffrn_ambient_temperature      315
_exptl_crystal_density_diffrn    2.203
_cod_original_formula_sum        'Si6 Al2 O20.29 Ca'
_cod_database_code               9002538
In situ dehydration of yugawaralite Sample: at T = 454 K
Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.; American Mineralogist 86 (2001) 185–192; doi:

data_9002539
_publ_section_title
;
 In situ dehydration of yugawaralite
 Sample: at T = 454 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              185
_journal_page_last               192
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al2 Ca O19.69 Si6'
_chemical_name_mineral           Yugawaralite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.216
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.75075
_cell_length_b                   14.0285
_cell_length_c                   10.0289
_cell_volume                     885.393
_database_code_amcsd             0002628
_diffrn_ambient_temperature      454
_exptl_crystal_density_diffrn    2.166
_cod_original_formula_sum        'Si6 Al2 O19.69 Ca'
_cod_database_code               9002539
In situ dehydration of yugawaralite Sample: at T = 581 K
Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.; American Mineralogist 86 (2001) 185–192; doi:

data_9002540
_publ_section_title
;
 In situ dehydration of yugawaralite
 Sample: at T = 581 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              185
_journal_page_last               192
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al2 Ca O19.07 Si6'
_chemical_name_mineral           Yugawaralite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.443
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7836
_cell_length_b                   13.9842
_cell_length_c                   10.0736
_cell_volume                     889.468
_database_code_amcsd             0002629
_diffrn_ambient_temperature      581
_exptl_crystal_density_diffrn    2.120
_cod_original_formula_sum        'Si6 Al2 O19.07 Ca'
_cod_database_code               9002540
Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)
Daniels, P.; Fyfe, C. A.; American Mineralogist 86 (2001) 279–283; doi:

data_9002541
_publ_section_title
;
 Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              279
_journal_page_last               283
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al Li O4 Si'
_chemical_name_mineral           Eucryptite
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.532
_cell_length_b                   13.532
_cell_length_c                   9.044
_cell_formula_units_Z            18
_cell_volume                     1434.218
_database_code_amcsd             0002630
_exptl_crystal_density_diffrn    2.626
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Li Si Al O4'
_cod_database_code               9002541
Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4) Not the correct model
Daniels, P.; Fyfe, C. A.; American Mineralogist 86 (2001) 279–283; doi:

data_9002542
_publ_section_title
;
 Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)
 Not the correct model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              279
_journal_page_last               283
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al Li O4 Si'
_chemical_name_mineral           Eucryptite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.532
_cell_length_b                   13.532
_cell_length_c                   9.044
_cell_formula_units_Z            18
_cell_volume                     1434.218
_database_code_amcsd             0002631
_exptl_crystal_density_diffrn    2.626
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Li (Si Al) O4'
_cod_database_code               9002542
Displacive components of the low-temperature phase transitions in lawsonite T = 2 K
Meyer, H.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002543
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 2 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.86465
_cell_length_b                   8.7652
_cell_length_c                   13.1002
_cell_volume                     673.414
_database_code_amcsd             0002632
_diffrn_ambient_temperature      2
_exptl_crystal_density_diffrn    3.156
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002543
Displacive components of the low-temperature phase transitions in lawsonite T = 50 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002544
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 50 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8639
_cell_length_b                   8.76442
_cell_length_c                   13.099
_cell_volume                     673.206
_database_code_amcsd             0002633
_diffrn_ambient_temperature      50
_exptl_crystal_density_diffrn    3.157
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002544
Displacive components of the low-temperature phase transitions in lawsonite T = 100 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002545
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 100 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.86332
_cell_length_b                   8.76659
_cell_length_c                   13.1021
_cell_volume                     673.465
_database_code_amcsd             0002634
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.156
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002545
Displacive components of the low-temperature phase transitions in lawsonite T = 130 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002546
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 130 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.86243
_cell_length_b                   8.76981
_cell_length_c                   13.1063
_cell_volume                     673.826
_database_code_amcsd             0002635
_diffrn_ambient_temperature      130
_exptl_crystal_density_diffrn    3.154
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002546
Displacive components of the low-temperature phase transitions in lawsonite T = 175 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002547
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 175 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.86092
_cell_length_b                   8.77586
_cell_length_c                   13.1132
_cell_volume                     674.472
_database_code_amcsd             0002636
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    3.151
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002547
Displacive components of the low-temperature phase transitions in lawsonite T = 225 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002548
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 225 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.85942
_cell_length_b                   8.78269
_cell_length_c                   13.1209
_cell_volume                     675.221
_database_code_amcsd             0002637
_diffrn_ambient_temperature      225
_exptl_crystal_density_diffrn    3.148
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002548
Displacive components of the low-temperature phase transitions in lawsonite T = 268 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002549
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 268 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.85539
_cell_length_b                   8.79152
_cell_length_c                   13.1326
_cell_volume                     676.037
_database_code_amcsd             0002638
_diffrn_ambient_temperature      268
_exptl_crystal_density_diffrn    3.144
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002549
Displacive components of the low-temperature phase transitions in lawsonite T = 285 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002550
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 285 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2 (x+1/4,y+1/4,z)'
_space_group_name_H-M_alt        'C m c m (a-1/4,b-1/4,c)'
_symmetry_space_group_name_H-M   'C m c m (a-1/4,b-1/4,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.85424
_cell_length_b                   8.79471
_cell_length_c                   13.1365
_cell_volume                     676.350
_diffrn_ambient_temperature      285
_exptl_crystal_density_diffrn    3.143
_cod_original_sg_symbol_H-M      'C m c m'
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002550
_database_code_amcsd 0002639
Displacive components of the low-temperature phase transitions in lawsonite T = 300 K
Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.; American Mineralogist 86 (2001) 566–577; doi:

data_9002551
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in lawsonite
 T = 300 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al1.94 Ca D4 Fe0.06 O10 Si2'
_chemical_name_mineral           'Lawsonite (deuterated)'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2 (x+1/4,y+1/4,z)'
_space_group_name_H-M_alt        'C m c m (a-1/4,b-1/4,c)'
_symmetry_space_group_name_H-M   'C m c m (a-1/4,b-1/4,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8543
_cell_length_b                   8.79679
_cell_length_c                   13.1387
_cell_volume                     676.631
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    3.141
_cod_original_cell_volume        676.630
_cod_original_sg_symbol_H-M      'C m c m'
_cod_original_formula_sum        'Ca (Al1.94 Fe.06) Si2 O10 D4'
_cod_database_code               9002551
_database_code_amcsd 0002640