LMucko/crystallography-open-database huggingface dataset:
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 = 800 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006162
_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 = 800 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                 90.011
_cell_angle_gamma                90
_cell_length_a                   5.5395
_cell_length_b                   5.6378
_cell_length_c                   7.9085
_cell_formula_units_Z            2
_cell_volume                     246.987
_database_code_amcsd             0007744
_diffrn_ambient_temperature      800
_exptl_crystal_density_diffrn    2.823
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006162
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 = 820 K Note: beta angle has been altered in order to reproduce bond lengths
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006163
_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 = 820 K
 Note: beta angle has been altered in order to reproduce bond lengths
;
_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                 90.098
_cell_angle_gamma                90
_cell_length_a                   5.5443
_cell_length_b                   5.6391
_cell_formula_units_Z            2
_cell_length_c                   7.9127
_cell_volume                     247.389
_database_code_amcsd             0007745
_diffrn_ambient_temperature      820
_exptl_crystal_density_diffrn    2.818
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006163
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 = 840 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006164
_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 = 840 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                 90.001
_cell_angle_gamma                90
_cell_length_a                   5.5558
_cell_length_b                   5.6437
_cell_length_c                   7.9263
_cell_formula_units_Z            2
_cell_volume                     248.531
_database_code_amcsd             0007746
_diffrn_ambient_temperature      840
_exptl_crystal_density_diffrn    2.805
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006164
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 = 860 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006165
_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 = 860 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                 89.989
_cell_angle_gamma                90
_cell_length_a                   5.5659
_cell_length_b                   5.6420
_cell_length_c                   7.9322
_cell_formula_units_Z            2
_cell_volume                     249.093
_database_code_amcsd             0007747
_diffrn_ambient_temperature      860
_exptl_crystal_density_diffrn    2.799
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006165
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 = 880 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006166
_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 = 880 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                 89.990
_cell_angle_gamma                90
_cell_length_a                   5.5732
_cell_length_b                   5.6414
_cell_length_c                   7.9365
_cell_formula_units_Z            2
_cell_volume                     249.529
_database_code_amcsd             0007748
_diffrn_ambient_temperature      880
_exptl_crystal_density_diffrn    2.794
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006166
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 = 890 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006167
_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 = 890 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           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6323
_cell_length_b                   5.6270
_cell_length_c                   7.9580
_cell_formula_units_Z            2
_cell_volume                     252.213
_database_code_amcsd             0007749
_diffrn_ambient_temperature      890
_exptl_crystal_density_diffrn    2.764
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006167
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 = 900 K
Yang, H.; Ghose, S.; Hatch, D. M.; Physics and Chemistry of Minerals 19 (1993) 528–544; doi:

data_9006168
_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 = 900 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           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6333
_cell_length_b                   5.6273
_cell_length_c                   7.9619
_cell_formula_units_Z            2
_cell_volume                     252.394
_database_code_amcsd             0007750
_diffrn_ambient_temperature      900
_exptl_crystal_density_diffrn    2.762
_cod_original_formula_sum        'Al Na3 F6'
_cod_database_code               9006168
Natrolite, Part I: refinement of high-order data, separation of internal and external vibrational amplitudes from displacement parameters
Stuckenschmidt, E.; Joswig, W.; Baur, W. H.; Physics and Chemistry of Minerals 19 (1993) 562–570; doi:

data_9006169
_publ_section_title
;
 Natrolite, Part I: refinement of high-order data, separation
 of internal and external vibrational amplitudes from
 displacement parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              562
_journal_page_last               570
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Al1.986 H4 Na1.982 O12 Si2.965'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.2929
_cell_length_b                   18.6407
_cell_length_c                   6.5871
_cell_volume                     2246.151
_database_code_amcsd             0007751
_exptl_crystal_density_diffrn    2.238
_cod_original_formula_sum        'Si2.965 Al1.986 O12 Na1.982 H4'
_cod_database_code               9006169
57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series
Schmid-Beurmann P; Lottermoser, W.; Physics and Chemistry of Minerals 19 (1993) 571–577; doi:

data_9006170
_publ_section_title
;57Fe-Moessbauer spectra, electronic and crystal structure of members of the
 CuS2-FeS2 solid solution series
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              571
_journal_page_last               577
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Cu0.25 Fe0.75 S2'
_chemical_name_mineral           Pyrite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7249
_cell_length_b                   5.7249
_cell_length_c                   5.7249
_cell_formula_units_Z            4
_cell_volume                     187.631
_database_code_amcsd             0007752
_exptl_crystal_density_diffrn    4.315
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        '(Fe.75 Cu.25) S2'
_cod_database_code               9006170
57Fe-Moessbauer spectra, electronic and crystal structure of members of the CuS2-FeS2 solid solution series
Schmid-Beurmann P; Lottermoser, W.; Physics and Chemistry of Minerals 19 (1993) 571–577; doi:

data_9006171
_publ_section_title
;57Fe-Moessbauer spectra, electronic and crystal structure of members of the
 CuS2-FeS2 solid solution series
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              571
_journal_page_last               577
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'Cu0.6 Fe0.4 S2'
_chemical_name_mineral           Pyrite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5624
_cell_length_b                   5.5624
_cell_length_c                   5.5624
_cell_formula_units_Z            4
_cell_volume                     172.102
_database_code_amcsd             0007753
_exptl_crystal_density_diffrn    4.809
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        '(Fe.4 Cu.6) S2'
_cod_database_code               9006171
X-ray powder diffraction study of CaTiO3 perovskite at high temperatures Sample: T = 298 K
Liu, X.; Liebermann, R. C.; Physics and Chemistry of Minerals 20 (1993) 171–175; doi:

data_9006172
_publ_section_title
;
 X-ray powder diffraction study of CaTiO3 perovskite
 at high temperatures
 Sample: T = 298 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              171
_journal_page_last               175
_journal_volume                  20
_journal_year                    1993
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_mineral           Perovskite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3785
_cell_length_b                   5.4419
_cell_length_c                   7.6400
_cell_formula_units_Z            4
_cell_volume                     223.617
_database_code_amcsd             0007754
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    4.038
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               9006172
X-ray powder diffraction study of CaTiO3 perovskite at high temperatures Sample: T = 673 K
Liu, X.; Liebermann, R. C.; Physics and Chemistry of Minerals 20 (1993) 171–175; doi:

data_9006173
_publ_section_title
;
 X-ray powder diffraction study of CaTiO3 perovskite
 at high temperatures
 Sample: T = 673 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              171
_journal_page_last               175
_journal_volume                  20
_journal_year                    1993
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_mineral           Perovskite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4086
_cell_length_b                   5.4553
_cell_length_c                   7.6782
_cell_formula_units_Z            4
_cell_volume                     226.549
_database_code_amcsd             0007755
_diffrn_ambient_temperature      673
_exptl_crystal_density_diffrn    3.986
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               9006173
X-ray powder diffraction study of CaTiO3 perovskite at high temperatures Sample: T = 1073 K
Liu, X.; Liebermann, R. C.; Physics and Chemistry of Minerals 20 (1993) 171–175; doi:

data_9006174
_publ_section_title
;
 X-ray powder diffraction study of CaTiO3 perovskite
 at high temperatures
 Sample: T = 1073 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              171
_journal_page_last               175
_journal_volume                  20
_journal_year                    1993
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_mineral           Perovskite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4450
_cell_length_b                   5.4708
_cell_length_c                   7.7247
_cell_formula_units_Z            4
_cell_volume                     230.107
_database_code_amcsd             0007756
_diffrn_ambient_temperature      1073
_exptl_crystal_density_diffrn    3.924
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               9006174
X-ray powder diffraction study of CaTiO3 perovskite at high temperatures Sample: T = 1273 K
Liu, X.; Liebermann, R. C.; Physics and Chemistry of Minerals 20 (1993) 171–175; doi:

data_9006175
_publ_section_title
;
 X-ray powder diffraction study of CaTiO3 perovskite
 at high temperatures
 Sample: T = 1273 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              171
_journal_page_last               175
_journal_volume                  20
_journal_year                    1993
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_mineral           Perovskite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4642
_cell_length_b                   5.4804
_cell_length_c                   7.7452
_cell_formula_units_Z            4
_cell_volume                     231.938
_database_code_amcsd             0007757
_diffrn_ambient_temperature      1273
_exptl_crystal_density_diffrn    3.893
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               9006175
X-ray powder diffraction study of CaTiO3 perovskite at high temperatures Sample: T = 1373 K
Liu, X.; Liebermann, R. C.; Physics and Chemistry of Minerals 20 (1993) 171–175; doi:

data_9006176
_publ_section_title
;
 X-ray powder diffraction study of CaTiO3 perovskite
 at high temperatures
 Sample: T = 1373 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              171
_journal_page_last               175
_journal_volume                  20
_journal_year                    1993
_chemical_formula_sum            'Ca O3 Ti'
_chemical_name_mineral           Perovskite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4750
_cell_length_b                   5.4863
_cell_length_c                   7.7579
_cell_formula_units_Z            4
_cell_volume                     233.028
_database_code_amcsd             0007758
_diffrn_ambient_temperature      1373
_exptl_crystal_density_diffrn    3.875
_cod_original_formula_sum        'Ca Ti O3'
_cod_database_code               9006176
The crystal chemistry of pumpellyite: An X-ray Rietveld refinement and 57Fe Mossbauer study Note: sample HR
Artioli, G.; Geiger, C. A.; Physics and Chemistry of Minerals 20 (1994) 443–453; doi:

data_9006177
_publ_section_title
;
 The crystal chemistry of pumpellyite: An X-ray Rietveld
 refinement and 57Fe Mossbauer study
 Note: sample HR
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              443
_journal_page_last               453
_journal_volume                  20
_journal_year                    1994
_chemical_compound_source        'Hicks Ranch, California'
_chemical_formula_sum            'Al2.452 Ca2 Fe0.193 H4 Mg0.355 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Al)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.433
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8193
_cell_length_b                   5.9042
_cell_length_c                   19.1138
_cell_volume                     986.910
_database_code_amcsd             0007759
_exptl_crystal_density_diffrn    3.217
_cod_original_cell_volume        986.909
_cod_original_formula_sum        'Si3 Al2.452 Fe.193 Mg.355 Ca2 O14 H4'
_cod_database_code               9006177
The crystal chemistry of pumpellyite: An X-ray Rietveld refinement and 57Fe Mossbauer study Note: sample K1
Artioli, G.; Geiger, C. A.; Physics and Chemistry of Minerals 20 (1994) 443–453; doi:

data_9006178
_publ_section_title
;
 The crystal chemistry of pumpellyite: An X-ray Rietveld
 refinement and 57Fe Mossbauer study
 Note: sample K1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              443
_journal_page_last               453
_journal_volume                  20
_journal_year                    1994
_chemical_compound_source        'Keweenawan, Michigan'
_chemical_formula_sum            'Al2.272 Ca2 Fe0.358 H4 Mg0.373 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Mg)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.446
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8192
_cell_length_b                   5.9192
_cell_length_c                   19.1274
_cell_volume                     990.080
_database_code_amcsd             0007760
_exptl_crystal_density_diffrn    3.239
_cod_original_formula_sum        'Si3 Al2.272 Fe.358 Mg.373 Ca2 O14 H4'
_cod_database_code               9006178