LMucko/crystallography-open-database huggingface dataset:
Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard; Acta Chemica Scandinavica 49 (1995) 515–523; doi:10.3891/acta.chem.scand.49-0515

data_1557878
_publ_section_title
;
 Substituent Effects on the Geometry of the Pyridine Ring in
 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              515
_journal_page_last               523
_journal_paper_doi               10.3891/acta.chem.scand.49-0515
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C24 H19 Cl2 N O4'
_chemical_formula_weight         456.30
_chemical_name_common
;
1-methy1-4-(4-chloropheny1)-2,6-diphenylpyridinium perchlorate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 103.35(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.120(4)
_cell_length_b                   11.853(2)
_cell_length_c                   14.182(5)
_cell_volume                     2145.9(11)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    2.990
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_F_000             944
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3237
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0832
_refine_ls_wR_factor_gt          0.2177
_refine_ls_wR_factor_ref         0.2576
_cod_data_source_file            Acta-Chem-Scand-1995-49-515-523-2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557878
Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard; Acta Chemica Scandinavica 49 (1995) 515–523; doi:10.3891/acta.chem.scand.49-0515

data_1557879
_publ_section_title
;
 Substituent Effects on the Geometry of the Pyridine Ring in
 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              515
_journal_page_last               523
_journal_paper_doi               10.3891/acta.chem.scand.49-0515
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C24 H19 Cl F N O4'
_chemical_formula_weight         439.85
_chemical_name_common
;
1-methy1-4-(4-fluoropheny1)-2,6-diphenylpyridinium perchlorate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 102.40(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.750(5)
_cell_length_b                   11.775(2)
_cell_length_c                   14.290(5)
_cell_volume                     2095.3(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.966
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_F_000             912
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3689
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0679
_refine_ls_wR_factor_gt          0.1775
_refine_ls_wR_factor_ref         0.2020
_cod_data_source_file            Acta-Chem-Scand-1995-49-515-523-3.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557879
Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard; Acta Chemica Scandinavica 49 (1995) 515–523; doi:10.3891/acta.chem.scand.49-0515

data_1557880
_publ_section_title
;
 Substituent Effects on the Geometry of the Pyridine Ring in
 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              515
_journal_page_last               523
_journal_paper_doi               10.3891/acta.chem.scand.49-0515
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C24 H19 Cl N O6'
_chemical_formula_weight         452.86
_chemical_name_common
;
1-methy1-4-(4-nitropheny1)-2,6-diphenylpyridinium perchlorate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 105.83(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.397(3)
_cell_length_b                   11.833(2)
_cell_length_c                   14.340(3)
_cell_volume                     2187.1(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.935
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_F_000             968
_refine_ls_number_parameters     314
_refine_ls_number_reflns         3553
_refine_ls_R_factor_all          0.1027
_refine_ls_R_factor_gt           0.0760
_refine_ls_wR_factor_gt          0.1983
_refine_ls_wR_factor_ref         0.2385
_cod_data_source_file            Acta-Chem-Scand-1995-49-515-523-4.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557880
Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard; Acta Chemica Scandinavica 49 (1995) 515–523; doi:10.3891/acta.chem.scand.49-0515

data_1557881
_publ_section_title
;
 Substituent Effects on the Geometry of the Pyridine Ring in
 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              515
_journal_page_last               523
_journal_paper_doi               10.3891/acta.chem.scand.49-0515
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C26 H25 Cl N2 O4'
_chemical_formula_weight         464.95
_chemical_name_common
;
1-methy1-4-(4-dimethylpheny1)-2,6-diphenylpyridinium perchlorate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 97.52(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.979(4)
_cell_length_b                   17.892(8)
_cell_length_c                   16.954(8)
_cell_volume                     2400(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.693
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_F_000             976
_refine_ls_number_parameters     341
_refine_ls_number_reflns         3749
_refine_ls_R_factor_all          0.1178
_refine_ls_R_factor_gt           0.0753
_refine_ls_wR_factor_gt          0.2069
_refine_ls_wR_factor_ref         0.2655
_cod_data_source_file            Acta-Chem-Scand-1995-49-515-523-5.cif
_cod_data_source_block           1
_cod_original_cell_volume        2400(12)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557881
The Crystal and Molecular Structures of Five-Carbon and Six-Carbon Isosaccharino-1,4-lactones from Alkaline Pulping
Alen, Raimo; Valkonen, Jussi; Acta Chemica Scandinavica 49 (1995) 536–539; doi:10.3891/acta.chem.scand.49-0536

data_1557896
_publ_section_title
;
 The Crystal and Molecular Structures of Five-Carbon and Six-Carbon
 Isosaccharino-1,4-lactones from Alkaline Pulping
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              536
_journal_page_last               539
_journal_paper_doi               10.3891/acta.chem.scand.49-0536
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C5 H8 O4'
_chemical_formula_weight         132.12
_chemical_name_common
;
3-deoxy-2-C-hydroxymethyl-D-erythro-pentono-1,4-lactone
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 99.10(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.744(2)
_cell_length_b                   8.560(2)
_cell_length_c                   10.305(4)
_cell_volume                     587.4(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.123
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_F_000             280
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_number_parameters     114
_refine_ls_number_reflns         377
_refine_ls_R_factor_gt           0.036
_refine_ls_wR_factor_gt          0.040
_cod_data_source_file            Acta-Chem-Scand-1995-49-536-1.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557896
The Crystal and Molecular Structures of Five-Carbon and Six-Carbon Isosaccharino-1,4-lactones from Alkaline Pulping
Alen, Raimo; Valkonen, Jussi; Acta Chemica Scandinavica 49 (1995) 536–539; doi:10.3891/acta.chem.scand.49-0536

data_1557897
_publ_section_title
;
 The Crystal and Molecular Structures of Five-Carbon and Six-Carbon
 Isosaccharino-1,4-lactones from Alkaline Pulping
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              536
_journal_page_last               539
_journal_paper_doi               10.3891/acta.chem.scand.49-0536
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C6 H10 O5'
_chemical_formula_weight         162.14
_chemical_name_common
;
3-deoxy-2-C-hydroxymethyl-D,L-tetrono-1,4-lactone
;
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 94.09(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.184(2)
_cell_length_b                   8.932(1)
_cell_length_c                   6.566(1)
_cell_volume                     361.75(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.123
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_F_000             172
_refine_ls_goodness_of_fit_ref   0.296
_refine_ls_number_parameters     139
_refine_ls_number_reflns         701
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.030
_cod_data_source_file            Acta-Chem-Scand-1995-49-536-2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1557897
Synthesis and Crystal Structure of a Small Bicyclic Tetraaza Proton Sponge, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate.
Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Toftlund, Hans; Sotofte, Inger; Acta Chemica Scandinavica 49 (1995) 547–554; doi:10.3891/acta.chem.scand.49-0547

data_1557918
_publ_section_title
;
 Synthesis and Crystal Structure of a Small Bicyclic Tetraaza Proton
 Sponge, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              547
_journal_page_last               554
_journal_paper_doi               10.3891/acta.chem.scand.49-0547
_journal_volume                  49
_journal_year                    1995
_chemical_formula_moiety         'C11 H27 N4, Cl O4, 2(Br)'
_chemical_formula_sum            'C11 H27 Br2 Cl N4 O4'
_chemical_formula_weight         474.62
_chemical_name_common
;
1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane Dibromide Perchlorate
;
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.583(4)
_cell_length_b                   8.664(3)
_cell_length_c                   11.707(3)
_cell_volume                     1783.4(9)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.67
_exptl_crystal_density_diffrn    1.77
_exptl_crystal_F_000             960
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_number_parameters     161
_refine_ls_number_reflns         1815
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.0803
_cod_data_source_file            Acta-Chem-Scand-1995-49-547.cif
_cod_data_source_block           1
_cod_database_code               1557918
An Inert Proton Coordinated Inside a Nearly Tetrahedral Tetraamine Cavity. Synthesis and X-Ray Crystal Structure of the Aquatrichlorozincate(II) Salt of the Inside Monoprotonated Amine 1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane
Springborg, Johan; Olsen, Carl Erik; Sotofte, Inger; Acta Chemica Scandinavica 49 (1995) 555–563; doi:10.3891/acta.chem.scand.49-0555

data_1557919
_publ_section_title
;
 An Inert Proton Coordinated Inside a Nearly Tetrahedral Tetraamine
 Cavity. Synthesis and X-Ray Crystal Structure of the
 Aquatrichlorozincate(II) Salt of the Inside Monoprotonated Amine
 1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              555
_journal_page_last               563
_journal_paper_doi               10.3891/acta.chem.scand.49-0555
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C14 H33 Cl3 N4 O2 Zn'
_chemical_formula_weight         461.20
_chemical_name_common
;
1,4,8,11-Tetraazatricyclo[6.6.2.2(4,1)]octadecane
;
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.
_cell_angle_beta                 105.87(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.505(4)
_cell_length_b                   8.186(4)
_cell_length_c                   11.185(6)
_cell_volume                     1013.3(8)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.62
_exptl_crystal_density_diffrn    1.52
_exptl_crystal_F_000             484
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_number_parameters     248
_refine_ls_number_reflns         2411
_refine_ls_R_factor_gt           0.0448
_refine_ls_wR_factor_ref         0.1032
_cod_data_source_file            Acta-Chem-Scand-1995-49-555.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1557919
Synthesis and Crystal Structure of a Spiro Amine: 3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate
Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Sotofte, Inger; Acta Chemica Scandinavica 49 (1995) 564–570; doi:10.3891/acta.chem.scand.49-0564

data_1557920
_publ_section_title
;
 Synthesis and Crystal Structure of a Spiro Amine:
 3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride
 Dihydrate
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              564
_journal_page_last               570
_journal_paper_doi               10.3891/acta.chem.scand.49-0564
_journal_volume                  49
_journal_year                    1995
_chemical_formula_sum            'C10 H30 Cl4 N4 O2'
_chemical_formula_weight         380.2
_chemical_name_common
;
3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride 
Trihydrochloride Dihydrate
;
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            8
_cell_length_a                   18.922(4)
_cell_length_b                   21.706(4)
_cell_length_c                   8.512(4)
_cell_volume                     3496.1(19)
_diffrn_ambient_temperature      120
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.69
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_F_000             1616
_refine_ls_goodness_of_fit_ref   1.12
_refine_ls_number_parameters     275
_refine_ls_number_reflns         1921
_refine_ls_R_factor_gt           0.056
_refine_ls_wR_factor_gt          0.049
_cod_data_source_file            Acta-Chem-Scand-1995-49-564.cif
_cod_data_source_block           1
_cod_original_cell_volume        3496(2)
_cod_database_code               1557920
Vorlanite, (CaU6+)O4, from Jabel Harmun, Palestinian Autonomy, Israel
Galuskin, E.V.; Kusz, J.; Armbruster, T.; Galuskina, I.O.; Marzec, K.; Vapnik, Y.; Murashko, M.; American Mineralogist 98 (2013) 1938–1942; doi:10.2138/am.2013.4548

data_1557929
_publ_section_title
;
 Vorlanite, (CaU6+)O4, from Jabel Harmun, Palestinian Autonomy, Israel
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1938
_journal_page_last               1942
_journal_paper_doi               10.2138/am.2013.4548
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'Ca O4 U'
_chemical_name_common            (CaU)O4
_chemical_name_mineral           vorlanite
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3647(9)
_cell_length_b                   5.3647(9)
_cell_length_c                   5.3647(9)
_cell_volume                     154.40(4)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            vorlanite.cif
_cod_data_source_block           vorlanite
_cod_original_formula_sum        'U Ca O4'
_cod_database_code               1557929
Cubic perovskite polymorph of strontium metasilicate at high pressures
Xiao, W.; Tan, D.; Zhou, W.; Liu, J.; Xu, J.; American Mineralogist 98 (2013) 2096–2104; doi:10.2138/am.2013.4470

data_1557930
_publ_section_title
;
 Cubic perovskite polymorph of strontium metasilicate at high pressures
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2096
_journal_page_last               2104
_journal_paper_doi               10.2138/am.2013.4470
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'O3 Si Sr'
_chemical_name_common            SrSiO3
_chemical_name_mineral           'SrSiO3 cubic perovskite at 37.8 GPa'
_space_group_IT_number           221
_space_group_name_Hall           '-P 4 2 3'
_space_group_name_H-M_alt        'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.5034(7)
_cell_length_b                   3.5034(7)
_cell_length_c                   3.5034(7)
_cell_volume                     43.000(15)
_diffrn_ambient_pressure         37800000
_diffrn_ambient_temperature      298
_cod_data_source_file            SrSiO3-37.8GPa.cif
_cod_data_source_block           SrSiO3-perovskite
_cod_original_formula_sum        'Sr Si O3'
_cod_database_code               1557930
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Mills, S.J.; Nestola, F.; Kahlenberg, V.; Christy, A.G.; Hejny, C.; Redhammer, G.J.; American Mineralogist 98 (2013) 1966–1971; doi:10.2138/am.2013.4587

data_1557931
_publ_section_title
;
 Looking for jarosite on Mars: The low-temperature crystal structure of
 jarosite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1966
_journal_page_last               1971
_journal_paper_doi               10.2138/am.2013.4587
_journal_volume                  98
_journal_year                    2013
_chemical_formula_sum            'F3 H6 K O14 S2'
_chemical_name_common            KFe(SO4)2(OH)2'
_chemical_name_mineral           'jarosite at 297 K'
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.2913(5)
_cell_length_b                   7.2913(5)
_cell_length_c                   17.1744(17)
_cell_volume                     790.72(11)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      297
_cod_data_source_file            jarosite-297K.cif
_cod_data_source_block           jarosite-297K
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K F3 S2 O14 H6'
_cod_database_code               1557931