LMucko/crystallography-open-database huggingface dataset:
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 150 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010949
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 150 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3382
_cell_length_b                   5.4818
_cell_length_c                   7.6436
_cell_formula_units_Z            4
_cell_volume                     223.674
_database_code_amcsd             0009119
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    3.097
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010949
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 125 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010950
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 125 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3353
_cell_length_b                   5.4814
_cell_length_c                   7.6405
_cell_formula_units_Z            4
_cell_volume                     223.446
_database_code_amcsd             0009120
_diffrn_ambient_temperature      125
_exptl_crystal_density_diffrn    3.100
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010950
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 100 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010951
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 100 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3325
_cell_length_b                   5.4813
_cell_length_c                   7.6375
_cell_formula_units_Z            4
_cell_volume                     223.237
_database_code_amcsd             0009121
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.103
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010951
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 75 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010952
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 75 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3308
_cell_length_b                   5.4814
_cell_length_c                   7.6352
_cell_formula_units_Z            4
_cell_volume                     223.102
_database_code_amcsd             0009122
_diffrn_ambient_temperature      75
_exptl_crystal_density_diffrn    3.105
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010952
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 50 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010953
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 50 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3294
_cell_length_b                   5.4813
_cell_length_c                   7.6338
_cell_formula_units_Z            4
_cell_volume                     222.999
_database_code_amcsd             0009123
_diffrn_ambient_temperature      50
_exptl_crystal_density_diffrn    3.106
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010953
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 25 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010954
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 25 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3292
_cell_length_b                   5.4813
_cell_length_c                   7.6336
_cell_formula_units_Z            4
_cell_volume                     222.985
_database_code_amcsd             0009124
_diffrn_ambient_temperature      25
_exptl_crystal_density_diffrn    3.107
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010954
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 3.6 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010955
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 3.6 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_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                   5.3287
_cell_length_b                   5.4811
_cell_length_c                   7.6335
_cell_formula_units_Z            4
_cell_volume                     222.953
_database_code_amcsd             0009125
_diffrn_ambient_temperature      3.6
_exptl_crystal_density_diffrn    3.107
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010955
A neutron diffraction study of alkali cation migration in montmorillonites Sample: Li-mont
Gournis, D.; Lappas, A.; Karakassides, M. A.; Tobbens, D.; Moukarika, A.; Physics and Chemistry of Minerals 35 (2008) 49–58; doi:10.1007/s00269-007-0197-z

data_9010956
_publ_section_title
;
 A neutron diffraction study of alkali cation migration in montmorillonites
 Sample: Li-mont
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1007/s00269-007-0197-z
_journal_volume                  35
_journal_year                    2008
_chemical_formula_sum            'Al0.86 Fe0.1 H Li0.08 Mg0.14 O10 Si3.9'
_chemical_name_mineral           Montmorillonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.69
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.175
_cell_length_b                   8.896
_cell_length_c                   12.45
_cell_volume                     564.981
_database_code_amcsd             0009126
_exptl_crystal_density_diffrn    1.783
_cod_original_formula_sum        'Si3.9 Al.86 Li.08 Fe.1 Mg.14 O10 H'
_cod_database_code               9010956
A neutron diffraction study of alkali cation migration in montmorillonites Sample: Cs-mont
Gournis, D.; Lappas, A.; Karakassides, M. A.; Tobbens, D.; Moukarika, A.; Physics and Chemistry of Minerals 35 (2008) 49–58; doi:10.1007/s00269-007-0197-z

data_9010957
_publ_section_title
;
 A neutron diffraction study of alkali cation migration in montmorillonites
 Sample: Cs-mont
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1007/s00269-007-0197-z
_journal_volume                  35
_journal_year                    2008
_chemical_formula_sum            'Al0.86 Cs0.08 Fe0.1 H Mg0.14 O10 Si3.9'
_chemical_name_mineral           Montmorillonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.181
_cell_length_b                   8.945
_cell_length_c                   12.34
_cell_volume                     563.844
_database_code_amcsd             0009127
_exptl_crystal_density_diffrn    1.846
_cod_original_formula_sum        'Si3.9 Al.86 Cs.08 Fe.1 Mg.14 O10 H'
_cod_database_code               9010957
A neutron diffraction study of alkali cation migration in montmorillonites Sample: Li-mont-300
Gournis, D.; Lappas, A.; Karakassides, M. A.; Tobbens, D.; Moukarika, A.; Physics and Chemistry of Minerals 35 (2008) 49–58; doi:10.1007/s00269-007-0197-z

data_9010958
_publ_section_title
;
 A neutron diffraction study of alkali cation migration in montmorillonites
 Sample: Li-mont-300
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1007/s00269-007-0197-z
_journal_volume                  35
_journal_year                    2008
_chemical_formula_sum            'Al0.86 Fe0.1 H Li0.08 Mg0.14 O10 Si3.9'
_chemical_name_mineral           Montmorillonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.171
_cell_length_b                   8.957
_cell_length_c                   9.74
_cell_volume                     448.570
_database_code_amcsd             0009128
_exptl_crystal_density_diffrn    2.245
_cod_original_formula_sum        'Si3.9 Al.86 Li.08 Fe.1 Mg.14 O10 H'
_cod_database_code               9010958
A neutron diffraction study of alkali cation migration in montmorillonites Sample: Cs-mont-300
Gournis, D.; Lappas, A.; Karakassides, M. A.; Tobbens, D.; Moukarika, A.; Physics and Chemistry of Minerals 35 (2008) 49–58; doi:10.1007/s00269-007-0197-z

data_9010959
_publ_section_title
;
 A neutron diffraction study of alkali cation migration in montmorillonites
 Sample: Cs-mont-300
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              49
_journal_page_last               58
_journal_paper_doi               10.1007/s00269-007-0197-z
_journal_volume                  35
_journal_year                    2008
_chemical_formula_sum            'Al0.86 Cs0.08 Fe0.1 H Mg0.14 O10 Si3.9'
_chemical_name_mineral           Montmorillonite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.56
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.191
_cell_length_b                   8.976
_cell_length_c                   11.32
_cell_volume                     518.516
_database_code_amcsd             0009129
_exptl_crystal_density_diffrn    2.007
_cod_original_formula_sum        'Si3.9 Al.86 Cs.08 Fe.1 Mg.14 O10 H'
_cod_database_code               9010959
Crystal chemical significance of chemical zoning in dissakisite-(Ce)
Hoshino, M.; Kimata, M.; Nishida, N.; Shimizu, M.; Physics and Chemistry of Minerals 35 (2008) 59–70; doi:10.1007/s00269-007-0198-y

data_9010960
_publ_section_title
;
 Crystal chemical significance of chemical zoning in dissakisite-(Ce)
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              59
_journal_page_last               70
_journal_paper_doi               10.1007/s00269-007-0198-y
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        'Trimouns dolomite mine, France'
_chemical_formula_sum
;Al2.126 Ca1.113 Ce0.349 Fe0.238 Gd0.018 H La0.202 Mg0.661 Nd0.197 O13 Pr0.059
 Si3 Sm0.035
;
_chemical_name_mineral           Dissakisite-(Ce)
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.729
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.899
_cell_length_b                   5.6836
_cell_length_c                   10.095
_cell_volume                     463.766
_database_code_amcsd             0009130
_exptl_crystal_density_diffrn    3.913
_cod_original_formula_sum
;Ca1.113 La.202 Ce.349 Pr.059 Nd.197 Sm.035 Gd.018 Fe.238 Al2.126 Mg.661 Si3
 O13 H
;
_cod_database_code               9010960
CaPtO3 as a novel post-perovskite oxide
Ohgushi, K.; Matsushita, Y.; Miyajima, N.; Katsuya, Y.; Tanaka, M.; Izumi, F.; Gotou, H.; Ueda, Y.; Yagi, T.; Physics and Chemistry of Minerals 35 (2008) 189–195; doi:10.1007/s00269-007-0211-5

data_9010961
_publ_section_title
;
 CaPtO3 as a novel post-perovskite oxide
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              189
_journal_page_last               195
_journal_paper_doi               10.1007/s00269-007-0211-5
_journal_volume                  35
_journal_year                    2008
_chemical_formula_structural     CaPtO3
_chemical_formula_sum            'Ca O3 Pt'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.12607
_cell_length_b                   9.91983
_cell_length_c                   7.35059
_cell_formula_units_Z            4
_cell_volume                     227.942
_database_code_amcsd             0009131
_exptl_crystal_density_diffrn    8.251
_cod_original_formula_sum        'Ca Pt O3'
_cod_database_code               9010961
_amcsd_formula_title             CaPtO3
The crystal structure and thermal expansion tensor of MgSO4-11D2O (meridianiite) determined by neutron powder diffraction Locality: synthetic Sample: T = 250 K
Fortes, A. D.; Wood, I. G.; Knight, K. S.; Physics and Chemistry of Minerals 35 (2008) 207–221; doi:10.1007/s00269-008-0214-x

data_9010962
_publ_section_title
;The crystal structure and thermal expansion tensor of MgSO4-11D2O
 (meridianiite) determined by neutron powder diffraction Locality: synthetic
 Sample: T = 250 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              207
_journal_page_last               221
_journal_paper_doi               10.1007/s00269-008-0214-x
_journal_volume                  35
_journal_year                    2008
_chemical_formula_structural     MgSO4*11D2O
_chemical_formula_sum            'D22 Mg O15 S'
_chemical_name_mineral           'Meridianiite (deuterated)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.118
_cell_angle_beta                 89.481
_cell_angle_gamma                62.6891
_cell_formula_units_Z            2
_cell_length_a                   6.7508
_cell_length_b                   6.8146
_cell_length_c                   17.2924
_cell_volume                     706.446
_diffrn_ambient_temperature      250
_exptl_crystal_density_diffrn    1.601
_cod_original_cell_volume        706.445
_cod_original_formula_sum        'Mg S O15 D22'
_cod_database_code               9010962
_database_code_amcsd 0009132
The crystal structure and thermal expansion tensor of MgSO4-11D2O (meridianiite) determined by neutron powder diffraction Locality: synthetic Sample: T = 4.2 K
Fortes, A. D.; Wood, I. G.; Knight, K. S.; Physics and Chemistry of Minerals 35 (2008) 207–221; doi:10.1007/s00269-008-0214-x

data_9010963
_publ_section_title
;The crystal structure and thermal expansion tensor of MgSO4-11D2O
 (meridianiite) determined by neutron powder diffraction Locality: synthetic
 Sample: T = 4.2 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              207
_journal_page_last               221
_journal_paper_doi               10.1007/s00269-008-0214-x
_journal_volume                  35
_journal_year                    2008
_chemical_formula_structural     MgSO4*11D2O
_chemical_formula_sum            'D22 Mg O15 S'
_chemical_name_mineral           'Meridianiite (deuterated)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.206
_cell_angle_beta                 89.447
_cell_angle_gamma                62.608
_cell_formula_units_Z            2
_cell_length_a                   6.7275
_cell_length_b                   6.7814
_cell_length_c                   17.3180
_cell_volume                     701.142
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    1.614
_cod_original_formula_sum        'Mg S O15 D22'
_cod_database_code               9010963
_database_code_amcsd 0009133
Surface modes in the infrared spectrum of hydrous minerals: the OH stretching modes of bayerite Locality: synthetic
Balan, E.; Blanchard, M.; Hochepied, J.-F.; Lazzeri, M.; Physics and Chemistry of Minerals 35 (2008) 279–285; doi:10.1007/s00269-008-0221-y

data_9010964
_publ_section_title
;Surface modes in the infrared spectrum of hydrous minerals: the OH stretching
 modes of bayerite Locality: synthetic
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              279
_journal_page_last               285
_journal_paper_doi               10.1007/s00269-008-0221-y
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H3 O3'
_chemical_name_mineral           Bayerite
_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                 90.26
_cell_angle_gamma                90
_cell_length_a                   5.096
_cell_length_b                   8.729
_cell_length_c                   9.489
_cell_formula_units_Z            8
_cell_volume                     422.095
_database_code_amcsd             0009134
_exptl_crystal_density_diffrn    2.455
_cod_original_formula_sum        'Al O3 H3'
_cod_database_code               9010964