LMucko/crystallography-open-database huggingface dataset:
Structure and lattice vibrations of Mg-Al spinel solid solution Sample: Nonstoichiometric MgO.3Al2O3
Ishii, M.; Hiraishi, J.; Yamanaka, T.; Physics and Chemistry of Minerals 8 (1982) 64–68; doi:10.1007/BF00309015

data_9005768
_publ_section_title
;
 Structure and lattice vibrations of Mg-Al spinel solid solution
 Sample: Nonstoichiometric MgO.3Al2O3
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              64
_journal_page_last               68
_journal_paper_doi               10.1007/BF00309015
_journal_volume                  8
_journal_year                    1982
_chemical_formula_sum            'Al2.401 Mg0.398 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.0878
_cell_length_b                   8.0878
_cell_length_c                   8.0878
_cell_volume                     529.043
_database_code_amcsd             0007350
_exptl_crystal_density_diffrn    3.477
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg.398 Al2.401 O4'
_cod_database_code               9005768
The electric field gradient at the position of copper in Cu2O and electronic charge density analysis by means of K-factors
Hafner, S. S.; Nagel, S.; Physics and Chemistry of Minerals 9 (1983) 19–22; doi:10.1007/BF00309465

data_9005769
_publ_section_title
;
 The electric field gradient at the position of copper in
 Cu2O and electronic charge density analysis by means of K-factors
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              19
_journal_page_last               22
_journal_paper_doi               10.1007/BF00309465
_journal_volume                  9
_journal_year                    1983
_chemical_formula_sum            'Cu2 O'
_chemical_name_mineral           Cuprite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  'P 2 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2696
_cell_length_b                   4.2696
_cell_length_c                   4.2696
_cell_formula_units_Z            2
_cell_volume                     77.833
_database_code_amcsd             0007351
_exptl_crystal_density_diffrn    6.106
_cod_original_sg_symbol_H-M      'P n 3'
_cod_database_code               9005769
Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni3(PO4)2
Nord, A. G.; Stefanidis, T.; Physics and Chemistry of Minerals 10 (1983) 10–15; doi:10.1007/BF01204320

data_9005770
_publ_section_title
;
 Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2
 solid solutions
 Sample: Ni3(PO4)2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              10
_journal_page_last               15
_journal_paper_doi               10.1007/BF01204320
_journal_volume                  10
_journal_year                    1983
_chemical_formula_sum            'Ni3 O8 P2'
_chemical_name_mineral           Sarcopside
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.12
_cell_angle_gamma                90
_cell_length_a                   10.108
_cell_length_b                   4.698
_cell_length_c                   5.831
_cell_formula_units_Z            2
_cell_volume                     276.846
_database_code_amcsd             0007352
_exptl_crystal_density_diffrn    4.391
_cod_original_formula_sum        'Ni3 P2 O8'
_cod_database_code               9005770
_amcsd_formula_title             Ni3(PO4)2
Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-1a
Nord, A. G.; Stefanidis, T.; Physics and Chemistry of Minerals 10 (1983) 10–15; doi:10.1007/BF01204320

data_9005771
_publ_section_title
;
 Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2
 solid solutions
 Sample: Ni/Mg-1a
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              10
_journal_page_last               15
_journal_paper_doi               10.1007/BF01204320
_journal_volume                  10
_journal_year                    1983
_chemical_formula_structural     (Ni.73Mg.27)3(PO4)2
_chemical_formula_sum            'Mg0.8 Ni2.2 O8 P2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.11
_cell_angle_gamma                90
_cell_length_a                   10.122
_cell_length_b                   4.700
_cell_length_c                   5.838
_cell_formula_units_Z            2
_cell_volume                     277.681
_database_code_amcsd             0007353
_exptl_crystal_density_diffrn    4.049
_cod_original_formula_sum        '(Ni2.2 Mg.8) P2 O8'
_cod_database_code               9005771
_amcsd_formula_title             (Ni.73Mg.27)3(PO4)2
Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-2b
Nord, A. G.; Stefanidis, T.; Physics and Chemistry of Minerals 10 (1983) 10–15; doi:10.1007/BF01204320

data_9005772
_publ_section_title
;
 Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2
 solid solutions
 Sample: Ni/Mg-2b
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              10
_journal_page_last               15
_journal_paper_doi               10.1007/BF01204320
_journal_volume                  10
_journal_year                    1983
_chemical_formula_structural     (Ni.6Mg.4)3(PO4)2
_chemical_formula_sum            'Mg1.2 Ni1.8 O8 P2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.83
_cell_angle_gamma                90
_cell_length_a                   10.154
_cell_length_b                   4.706
_cell_length_c                   5.870
_cell_formula_units_Z            2
_cell_volume                     280.467
_database_code_amcsd             0007354
_exptl_crystal_density_diffrn    3.845
_cod_original_formula_sum        '(Ni1.8 Mg1.2) P2 O8'
_cod_database_code               9005772
_amcsd_formula_title             (Ni.6Mg.4)3(PO4)2
Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2 solid solutions Sample: Ni/Mg-3c
Nord, A. G.; Stefanidis, T.; Physics and Chemistry of Minerals 10 (1983) 10–15; doi:10.1007/BF01204320

data_9005773
_publ_section_title
;
 Crystallographic studies of some olivine-related (Ni,Mg)3(PO4)2
 solid solutions
 Sample: Ni/Mg-3c
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              10
_journal_page_last               15
_journal_paper_doi               10.1007/BF01204320
_journal_volume                  10
_journal_year                    1983
_chemical_formula_structural     (Ni.45Mg.55)3(PO4)2
_chemical_formula_sum            'Mg1.64 Ni1.36 O8 P2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.74
_cell_angle_gamma                90
_cell_length_a                   10.177
_cell_length_b                   4.713
_cell_length_c                   5.889
_cell_formula_units_Z            2
_cell_volume                     282.438
_database_code_amcsd             0007355
_exptl_crystal_density_diffrn    3.641
_cod_original_formula_sum        '(Ni1.36 Mg1.64) P2 O8'
_cod_database_code               9005773
_amcsd_formula_title             (Ni.45Mg.55)3(PO4)2
X-ray and HRTEM study of sursassite: crystal structure, stacking disorder, and sursassite-pumpellyite intergrowth
Mellini, M.; Merlino, S.; Pasero, M.; Physics and Chemistry of Minerals 10 (1984) 99–105; doi:10.1007/BF00309643

data_9005774
_publ_section_title
;
 X-ray and HRTEM study of sursassite: crystal structure,
 stacking disorder, and sursassite-pumpellyite intergrowth
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              99
_journal_page_last               105
_journal_paper_doi               10.1007/BF00309643
_journal_volume                  10
_journal_year                    1984
_chemical_formula_sum            'Al2.83 H3 Mn2.17 O14 Si3'
_chemical_name_mineral           Sursassite
_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                 108.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.70
_cell_length_b                   5.79
_cell_length_c                   9.78
_cell_volume                     466.087
_database_code_amcsd             0007356
_exptl_crystal_density_diffrn    3.611
_cod_original_formula_sum        'Mn2.17 Al2.83 Si3 O14 H3'
_cod_database_code               9005774
Polysynthetically-twinned structures of enstatite and wollastonite Sample: CLEN
Ohashi, Y.; Physics and Chemistry of Minerals 10 (1984) 217–229; doi:10.1007/BF00309314

data_9005775
_publ_section_title
;
 Polysynthetically-twinned structures of enstatite and wollastonite
 Sample: CLEN
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              217
_journal_page_last               229
_journal_paper_doi               10.1007/BF00309314
_journal_volume                  10
_journal_year                    1984
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Clinoenstatite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.35
_cell_angle_gamma                90
_cell_length_a                   9.606
_cell_length_b                   8.8131
_cell_length_c                   5.170
_cell_formula_units_Z            8
_cell_volume                     415.429
_database_code_amcsd             0007357
_exptl_crystal_density_diffrn    3.210
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005775
Polysynthetically-twinned structures of enstatite and wollastonite Sample: OREN
Ohashi, Y.; Physics and Chemistry of Minerals 10 (1984) 217–229; doi:10.1007/BF00309314

data_9005776
_publ_section_title
;
 Polysynthetically-twinned structures of enstatite and wollastonite
 Sample: OREN
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              217
_journal_page_last               229
_journal_paper_doi               10.1007/BF00309314
_journal_volume                  10
_journal_year                    1984
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.225
_cell_length_b                   8.8128
_cell_length_c                   5.180
_cell_formula_units_Z            16
_cell_volume                     831.977
_database_code_amcsd             0007358
_exptl_crystal_density_diffrn    3.206
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005776
Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO1T
Ohashi, Y.; Physics and Chemistry of Minerals 10 (1984) 217–229; doi:10.1007/BF00309314

data_9005777
_publ_section_title
;
 Polysynthetically-twinned structures of enstatite and wollastonite
 Sample: WO1T
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              217
_journal_page_last               229
_journal_paper_doi               10.1007/BF00309314
_journal_volume                  10
_journal_year                    1984
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Wollastonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.055
_cell_angle_beta                 95.217
_cell_angle_gamma                103.426
_cell_formula_units_Z            6
_cell_length_a                   7.9258
_cell_length_b                   7.3202
_cell_length_c                   7.0653
_cell_volume                     396.960
_database_code_amcsd             0007359
_exptl_crystal_density_diffrn    2.916
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9005777
Polysynthetically-twinned structures of enstatite and wollastonite Sample: WO2M
Ohashi, Y.; Physics and Chemistry of Minerals 10 (1984) 217–229; doi:10.1007/BF00309314

data_9005778
_publ_section_title
;
 Polysynthetically-twinned structures of enstatite and wollastonite
 Sample: WO2M
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              217
_journal_page_last               229
_journal_paper_doi               10.1007/BF00309314
_journal_volume                  10
_journal_year                    1984
_chemical_formula_sum            'Ca O3 Si'
_chemical_name_mineral           Wollastonite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.371
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   15.424
_cell_length_b                   7.324
_cell_length_c                   7.0692
_cell_volume                     795.069
_database_code_amcsd             0007360
_exptl_crystal_density_diffrn    2.911
_cod_original_formula_sum        'Ca Si O3'
_cod_database_code               9005778
A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 5 K
Ghose, S.; Hewat, A. W.; Marezio, M.; Physics and Chemistry of Minerals 11 (1984) 67–74; doi:10.1007/BF00308007

data_9005779
_publ_section_title
;
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 5 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1007/BF00308007
_journal_volume                  11
_journal_year                    1984
_chemical_formula_sum            'Ca Fe2.925 H Mn0.075 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.234
_cell_angle_gamma                90
_cell_length_a                   13.0229
_cell_length_b                   8.7977
_cell_length_c                   5.8428
_cell_formula_units_Z            4
_cell_volume                     669.413
_database_code_amcsd             0007361
_diffrn_ambient_temperature      5
_exptl_crystal_density_diffrn    4.056
_cod_original_formula_sum        'Ca Fe2.925 Mn.075 Si2 O9 H'
_cod_database_code               9005779
A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 80 K
Ghose, S.; Hewat, A. W.; Marezio, M.; Physics and Chemistry of Minerals 11 (1984) 67–74; doi:10.1007/BF00308007

data_9005780
_publ_section_title
;
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 80 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1007/BF00308007
_journal_volume                  11
_journal_year                    1984
_chemical_formula_sum            'Ca Fe2.825 H Mn0.175 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.231
_cell_angle_gamma                90
_cell_length_a                   13.0230
_cell_length_b                   8.7994
_cell_length_c                   5.8422
_cell_formula_units_Z            4
_cell_volume                     669.479
_database_code_amcsd             0007362
_diffrn_ambient_temperature      80
_exptl_crystal_density_diffrn    4.054
_cod_original_formula_sum        'Ca (Fe2.825 Mn.175) Si2 O9 H'
_cod_database_code               9005780
A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 150 K
Ghose, S.; Hewat, A. W.; Marezio, M.; Physics and Chemistry of Minerals 11 (1984) 67–74; doi:10.1007/BF00308007

data_9005781
_publ_section_title
;
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 150 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1007/BF00308007
_journal_volume                  11
_journal_year                    1984
_chemical_formula_sum            'Ca Fe2.8 H Mn0.2 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.233
_cell_angle_gamma                90
_cell_length_a                   13.0244
_cell_length_b                   8.8006
_cell_length_c                   5.8445
_cell_formula_units_Z            4
_cell_volume                     669.906
_database_code_amcsd             0007363
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    4.051
_cod_original_formula_sum        'Ca (Fe2.8 Mn.2) Si2 O9 H'
_cod_database_code               9005781
A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 305 K
Ghose, S.; Hewat, A. W.; Marezio, M.; Physics and Chemistry of Minerals 11 (1984) 67–74; doi:10.1007/BF00308007

data_9005782
_publ_section_title
;
 A neutron powder diffraction study of the crystal and
 magnetic structures of ilvaite from 305 K to 5 K - a mixed
 valence iron silicate with an electronic transition
 Sample: T = 305 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1007/BF00308007
_journal_volume                  11
_journal_year                    1984
_chemical_formula_sum            'Ca Fe2.75 H Mn0.25 O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.249
_cell_angle_gamma                90
_cell_length_a                   13.0207
_cell_length_b                   8.8121
_cell_length_c                   5.8609
_cell_formula_units_Z            4
_cell_volume                     672.472
_database_code_amcsd             0007364
_diffrn_ambient_temperature      305
_exptl_crystal_density_diffrn    4.035
_cod_original_formula_sum        'Ca (Fe2.75 Mn.25) Si2 O9 H'
_cod_database_code               9005782
Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: White Well Ar
Armbruster, T.; Physics and Chemistry of Minerals 12 (1985) 233–245; doi:10.1007/BF00311293

data_9005783
_publ_section_title
;
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well Ar
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              233
_journal_page_last               245
_journal_paper_doi               10.1007/BF00311293
_journal_volume                  12
_journal_year                    1985
_chemical_formula_sum
'Al4 Ar0.72 Fe0.09 Mg1.91 Mn0.01 Na0.05 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.069
_cell_length_b                   9.718
_cell_length_c                   9.355
_cell_formula_units_Z            4
_cell_volume                     1551.775
_database_code_amcsd             0007365
_exptl_crystal_density_diffrn    2.646
_cod_original_formula_sum        'O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 Ar.72'
_cod_database_code               9005783
Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: White Well N2
Armbruster, T.; Physics and Chemistry of Minerals 12 (1985) 233–245; doi:10.1007/BF00311293

data_9005784
_publ_section_title
;
 Ar, N2, CO2 in the structural cavities of cordierite,
 an optical and X-ray single-crystal study
 Sample: White Well N2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              233
_journal_page_last               245
_journal_paper_doi               10.1007/BF00311293
_journal_volume                  12
_journal_year                    1985
_chemical_formula_sum            'Al4 Fe0.09 Mg1.91 Mn0.01 N1.2 Na0.05 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.069
_cell_length_b                   9.722
_cell_length_c                   9.359
_cell_volume                     1553.078
_database_code_amcsd             0007366
_exptl_crystal_density_diffrn    2.593
_cod_original_formula_sum        'O18 Al4 Si5 Mg1.91 Fe.09 Mn.01 Na.05 N1.2'
_cod_database_code               9005784