LMucko/crystallography-open-database huggingface dataset:
Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC135 Note: z-coordinate of O2 altered to match reported bond lengths
Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.; Physics and Chemistry of Minerals 19 (1992) 213–219; doi:

data_9006145
_publ_section_title
;
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC135
 Note: z-coordinate of O2 altered to match reported bond lengths
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              213
_journal_page_last               219
_journal_volume                  19
_journal_year                    1992
_chemical_compound_source        'sample from Pico Cabugi, Brazil'
_chemical_formula_sum
'Al0.255 Ca0.645 Cr0.044 Fe0.128 Mg0.957 Mn0.002 Na0.094 O6 Si1.883 Ti0.008'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.87
_cell_angle_gamma                90
_cell_length_a                   9.699
_cell_length_b                   8.861
_cell_length_c                   5.267
_cell_formula_units_Z            4
_cell_volume                     433.181
_database_code_amcsd             0007727
_exptl_crystal_density_diffrn    3.327
_cod_original_formula_sum
'Ca.645 Na.094 Mg.957 Fe.128 Mn.002 Al.255 Ti.008 Cr.044 Si1.883 O6'
_cod_database_code               9006145
Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC138
Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.; Physics and Chemistry of Minerals 19 (1992) 213–219; doi:

data_9006146
_publ_section_title
;
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC138
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              213
_journal_page_last               219
_journal_volume                  19
_journal_year                    1992
_chemical_compound_source        'sample from Pico Cabugi, Brazil'
_chemical_formula_sum
'Al0.207 Ca0.694 Cr0.046 Fe0.123 Mg0.997 Mn0.003 Na0.052 O6 Si1.892 Ti0.002'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.62
_cell_angle_gamma                90
_cell_length_a                   9.709
_cell_length_b                   8.875
_cell_length_c                   5.263
_cell_formula_units_Z            4
_cell_volume                     434.553
_database_code_amcsd             0007728
_exptl_crystal_density_diffrn    3.324
_cod_original_formula_sum
'Ca.694 Na.052 Mg.997 Fe.123 Mn.003 Al.207 Ti.002 Cr.046 Si1.892 O6'
_cod_database_code               9006146
Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC105
Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.; Physics and Chemistry of Minerals 19 (1992) 213–219; doi:

data_9006147
_publ_section_title
;
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC105
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              213
_journal_page_last               219
_journal_volume                  19
_journal_year                    1992
_chemical_compound_source        'sample from Pico Cabugi, Brazil'
_chemical_formula_sum
'Al0.187 Ca0.712 Cr0.046 Fe0.11 Mg1.007 Mn0.003 Na0.048 O6 Si1.902 Ti0.003'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.59
_cell_angle_gamma                90
_cell_length_a                   9.712
_cell_length_b                   8.878
_cell_length_c                   5.262
_cell_formula_units_Z            4
_cell_volume                     434.819
_database_code_amcsd             0007729
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum
'Ca.712 Na.048 Mg1.007 Fe.11 Mn.003 Al.187 Ti.003 Cr.046 Si1.902 O6'
_cod_database_code               9006147
Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC109
Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.; Physics and Chemistry of Minerals 19 (1992) 213–219; doi:

data_9006148
_publ_section_title
;
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC109
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              213
_journal_page_last               219
_journal_volume                  19
_journal_year                    1992
_chemical_compound_source        'sample from Pico Cabugi, Brazil'
_chemical_formula_sum
'Al0.189 Ca0.72 Cr0.04 Fe0.111 Mg1.03 Mn0.003 Na0.027 O6 Si1.891 Ti0.003'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.57
_cell_angle_gamma                90
_cell_length_a                   9.716
_cell_length_b                   8.887
_cell_length_c                   5.260
_cell_formula_units_Z            4
_cell_volume                     435.319
_database_code_amcsd             0007730
_exptl_crystal_density_diffrn    3.316
_cod_original_formula_sum
'Ca.72 Na.027 Mg1.03 Fe.111 Mn.003 Al.189 Ti.003 Cr.04 Si1.891 O6'
_cod_database_code               9006148
Effects of Ca-Mg substitution in C2/c pyroxene structure on natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil) Sample: PC133
Salviulo, G.; Princivalle, F.; Demarchi, G.; Fabro, C.; Physics and Chemistry of Minerals 19 (1992) 213–219; doi:

data_9006149
_publ_section_title
;
 Effects of Ca-Mg substitution in C2/c pyroxene structure on
 natural clinopyroxenes from spinel peridotite nodules (Pico Cabugi, Brazil)
 Sample: PC133
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              213
_journal_page_last               219
_journal_volume                  19
_journal_year                    1992
_chemical_compound_source        'sample from Pico Cabugi, Brazil'
_chemical_formula_sum
'Al0.109 Ca0.737 Cr0.04 Fe0.116 Mg1.052 Mn0.003 Na0.022 O6 Si1.934 Ti0.001'
_chemical_name_mineral           Diopside
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.56
_cell_angle_gamma                90
_cell_length_a                   9.724
_cell_length_b                   8.898
_cell_length_c                   5.256
_cell_formula_units_Z            4
_cell_volume                     435.908
_database_code_amcsd             0007731
_exptl_crystal_density_diffrn    3.316
_cod_original_formula_sum
'Ca.737 Na.022 Mg1.052 Fe.116 Mn.003 Al.109 Ti.001 Cr.04 Si1.934 O6'
_cod_database_code               9006149
Phase E: A high pressure hydrous silicate with unique crystal chemistry Sample: 1
Kudoh, Y.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; Kanzaki, M.; Veblen, D. R.; Physics and Chemistry of Minerals 19 (1993) 357–360; doi:

data_9006150
_publ_section_title
;
 Phase E: A high pressure hydrous silicate with unique
 crystal chemistry
 Sample: 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              357
_journal_page_last               360
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'H0.533 Mg0.338 O Si0.193'
_chemical_name_mineral           Phase-E
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.9701
_cell_length_b                   2.9701
_cell_length_c                   13.882
_cell_formula_units_Z            6
_cell_volume                     106.053
_database_code_amcsd             0007732
_exptl_crystal_density_diffrn    2.836
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Mg.338 Si.193 O H.533'
_cod_database_code               9006150
Phase E: A high pressure hydrous silicate with unique crystal chemistry Sample: 2
Kudoh, Y.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; Kanzaki, M.; Veblen, D. R.; Physics and Chemistry of Minerals 19 (1993) 357–360; doi:

data_9006151
_publ_section_title
;
 Phase E: A high pressure hydrous silicate with unique
 crystal chemistry
 Sample: 2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              357
_journal_page_last               360
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'H0.603 Mg0.361 O Si0.169'
_chemical_name_mineral           Phase-E
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   2.9853
_cell_length_b                   2.9853
_cell_length_c                   13.9482
_cell_volume                     107.653
_database_code_amcsd             0007733
_exptl_crystal_density_diffrn    2.789
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Mg.361 Si.169 O H.603'
_cod_database_code               9006151
The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe00
Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.; Physics and Chemistry of Minerals 19 (1993) 361–368; doi:

data_9006152
_publ_section_title
;
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe00
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              361
_journal_page_last               368
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Mg2 O4 Si'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6921
_cell_length_b                   11.460
_cell_length_c                   8.253
_cell_formula_units_Z            8
_cell_volume                     538.355
_database_code_amcsd             0007734
_exptl_crystal_density_diffrn    3.472
_cod_original_formula_sum        'Mg2 Si O4'
_cod_database_code               9006152
The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe08
Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.; Physics and Chemistry of Minerals 19 (1993) 361–368; doi:

data_9006153
_publ_section_title
;
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe08
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              361
_journal_page_last               368
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Fe0.16 Mg1.85 O4 Si'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7037
_cell_length_b                   11.4529
_cell_length_c                   8.2679
_cell_formula_units_Z            8
_cell_volume                     540.092
_database_code_amcsd             0007735
_exptl_crystal_density_diffrn    3.591
_cod_original_formula_sum        'Mg1.85 Fe.16 Si O4'
_cod_database_code               9006153
The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe16
Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.; Physics and Chemistry of Minerals 19 (1993) 361–368; doi:

data_9006154
_publ_section_title
;
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe16
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              361
_journal_page_last               368
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Fe0.32 Mg1.68 O4 Si'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7119
_cell_length_b                   11.4681
_cell_length_c                   8.2799
_cell_formula_units_Z            8
_cell_volume                     542.372
_database_code_amcsd             0007736
_exptl_crystal_density_diffrn    3.693
_cod_original_formula_sum        '(Mg1.68 Fe.32) Si O4'
_cod_database_code               9006154
The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe25
Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.; Physics and Chemistry of Minerals 19 (1993) 361–368; doi:

data_9006155
_publ_section_title
;
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe25
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              361
_journal_page_last               368
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Fe0.5 Mg1.5 O4 Si'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.717
_cell_length_b                   11.506
_cell_length_c                   8.299
_cell_formula_units_Z            8
_cell_volume                     545.907
_database_code_amcsd             0007737
_exptl_crystal_density_diffrn    3.807
_cod_original_formula_sum        '(Mg1.5 Fe.5) Si O4'
_cod_database_code               9006155
The effect of Fe on the crystal structure of wadsleyite beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40 Sample: Fe40
Finger, L. W.; Hazen, R. M.; Zhang, J.; Ko, J.; Navrotsky, A.; Physics and Chemistry of Minerals 19 (1993) 361–368; doi:

data_9006156
_publ_section_title
;
 The effect of Fe on the crystal structure of wadsleyite
 beta-(Mg1-xFex)2SiO4, 0.00<=x<=0.40
 Sample: Fe40
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              361
_journal_page_last               368
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Fe0.799 Mg1.201 O4 Si'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.739
_cell_length_b                   11.515
_cell_length_c                   8.316
_cell_formula_units_Z            8
_cell_volume                     549.559
_database_code_amcsd             0007738
_exptl_crystal_density_diffrn    4.011
_cod_original_formula_sum        '(Mg1.201 Fe.799) Si O4'
_cod_database_code               9006156
Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 295 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006157
_publ_section_title
;
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
 fluoride perovskite: high temperature single crystal X-ray
 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 295 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              528
_journal_page_last               544
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.183
_cell_angle_gamma                90
_cell_length_a                   5.4139
_cell_length_b                   5.6012
_cell_length_c                   7.7769
_cell_formula_units_Z            2
_cell_volume                     235.828
_database_code_amcsd             0007739
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    2.957
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006157
Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 373 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006158
_publ_section_title
;
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
 fluoride perovskite: high temperature single crystal X-ray
 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 373 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              528
_journal_page_last               544
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.155
_cell_angle_gamma                90
_cell_length_a                   5.4306
_cell_length_b                   5.6069
_cell_length_c                   7.7944
_cell_formula_units_Z            2
_cell_volume                     237.330
_database_code_amcsd             0007740
_diffrn_ambient_temperature      373
_exptl_crystal_density_diffrn    2.938
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006158
Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 473 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006159
_publ_section_title
;
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
 fluoride perovskite: high temperature single crystal X-ray
 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 473 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              528
_journal_page_last               544
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.118
_cell_angle_gamma                90
_cell_length_a                   5.4544
_cell_length_b                   5.6155
_cell_length_c                   7.8220
_cell_formula_units_Z            2
_cell_volume                     239.581
_database_code_amcsd             0007741
_diffrn_ambient_temperature      473
_exptl_crystal_density_diffrn    2.910
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006159
Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 573 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006160
_publ_section_title
;
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
 fluoride perovskite: high temperature single crystal X-ray
 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 573 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              528
_journal_page_last               544
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.089
_cell_angle_gamma                90
_cell_length_a                   5.4766
_cell_length_b                   5.6227
_cell_length_c                   7.8461
_cell_formula_units_Z            2
_cell_volume                     241.607
_database_code_amcsd             0007742
_diffrn_ambient_temperature      573
_exptl_crystal_density_diffrn    2.886
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006160
Ferroelastic phase transition in cryolite, Na3AlF6, a mixed fluoride perovskite: high temperature single crystal X-ray diffraction study and symmetry analysis of the transition mechanism Sample: T = 673 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006161
_publ_section_title
;
 Ferroelastic phase transition in cryolite, Na3AlF6, a mixed
 fluoride perovskite: high temperature single crystal X-ray
 diffraction study and symmetry analysis of the transition mechanism
 Sample: T = 673 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              528
_journal_page_last               544
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Al F6 Na3'
_chemical_name_mineral           Cryolite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.055
_cell_angle_gamma                90
_cell_length_a                   5.5022
_cell_length_b                   5.6284
_cell_length_c                   7.8725
_cell_formula_units_Z            2
_cell_volume                     243.800
_database_code_amcsd             0007743
_diffrn_ambient_temperature      673
_exptl_crystal_density_diffrn    2.860
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006161