LMucko/crystallography-open-database huggingface dataset:
New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)
Mar'yana Lukachuk; Reinhard K. Kremer; Hansjürgen Mattausch; Arndt Simon; Inorganic Chemistry 46 (2007) 3231–3235; doi:10.1021/ic062425d

data_4307920
_publ_section_title
;
New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3231
_journal_page_last               3235
_journal_paper_doi               10.1021/ic062425d
_journal_volume                  46
_journal_year                    2007
_space_group_IT_number           164
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_length_a                   4.166777(7)
_cell_length_b                   4.166777(7)
_cell_length_c                   9.8172579(12)
_cell_volume                     147.6119(4)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_meas_2theta_range_inc        0.010000
_pd_meas_2theta_range_max        59.99000
_pd_meas_2theta_range_min        2.00000
_pd_meas_number_of_points        5800
_pd_proc_2theta_range_inc        0.010000
_pd_proc_2theta_range_max        60.0068
_pd_proc_2theta_range_min        2.0168
_pd_proc_ls_prof_R_factor        5.5155
_pd_proc_ls_prof_wR_expected     3.6321
_pd_proc_ls_prof_wR_factor       7.3377
_pd_proc_wavelength              0.709300
_refine_ls_number_parameters     17
_refine_ls_number_reflns         238
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.2936
_cod_data_source_file            ic062425d_si_gd2gebr2.cif
_cod_data_source_block           Gd2Br2Ge
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        147.612(13)
_cod_database_code               4307920
_pd_proc_ls_prof_cr_factor       22.5336
_pd_proc_ls_prof_cwr_factor      18.7526
_pd_proc_ls_prof_cwr_expected    9.2824
_pd_proc_ls_prof_chi2            4.0813
_pd_proc_ls_prof_echi2           4.0813
New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)
Mar'yana Lukachuk; Reinhard K. Kremer; Hansjürgen Mattausch; Arndt Simon; Inorganic Chemistry 46 (2007) 3231–3235; doi:10.1021/ic062425d

data_4307921
_publ_section_title
;
New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3231
_journal_page_last               3235
_journal_paper_doi               10.1021/ic062425d
_journal_volume                  46
_journal_year                    2007
_space_group_IT_number           166
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_length_a                   4.252741(4)
_cell_length_b                   4.252741(4)
_cell_length_c                   31.65699
_cell_volume                     495.8361(7)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_meas_2theta_range_inc        0.010000
_pd_meas_2theta_range_max        59.99000
_pd_meas_2theta_range_min        2.00000
_pd_meas_number_of_points        5800
_pd_proc_2theta_range_inc        0.010000
_pd_proc_2theta_range_max        60.0194
_pd_proc_2theta_range_min        2.0294
_pd_proc_ls_prof_R_factor        5.4527
_pd_proc_ls_prof_wR_expected     2.2720
_pd_proc_ls_prof_wR_factor       7.0581
_pd_proc_wavelength              0.709300
_refine_ls_number_parameters     17
_refine_ls_number_reflns         267
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            6.0728
_cod_data_source_file            ic062425d_si_gd2gei2.cif
_cod_data_source_block           Gd2I2Ge
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        495.84(3)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4307921
_pd_proc_ls_prof_cr_factor       10.4185
_pd_proc_ls_prof_cwr_factor      11.0893
_pd_proc_ls_prof_cwr_expected    3.5697
_pd_proc_ls_prof_chi2            9.6505
_pd_proc_ls_prof_echi2           9.6505
New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)
Mar'yana Lukachuk; Reinhard K. Kremer; Hansjürgen Mattausch; Arndt Simon; Inorganic Chemistry 46 (2007) 3231–3235; doi:10.1021/ic062425d

data_4307922
_publ_section_title
;
New Layered Germanide Halides RE2GeX2 (RE = Y, Gd; X = Br, I)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3231
_journal_page_last               3235
_journal_paper_doi               10.1021/ic062425d
_journal_volume                  46
_journal_year                    2007
_space_group_IT_number           166
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_length_a                   4.213504(9)
_cell_length_b                   4.213504(9)
_cell_length_c                   31.47964100(15)
_cell_volume                     484.0021(15)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           X-ray
_pd_meas_2theta_range_inc        0.010000
_pd_meas_2theta_range_max        59.99000
_pd_meas_2theta_range_min        2.00000
_pd_meas_number_of_points        5800
_pd_proc_2theta_range_inc        0.010000
_pd_proc_2theta_range_max        60.0048
_pd_proc_2theta_range_min        2.0148
_pd_proc_ls_prof_R_factor        1.7881
_pd_proc_ls_prof_wR_expected     1.5541
_pd_proc_ls_prof_wR_factor       2.4154
_pd_proc_wavelength              0.709300
_refine_ls_number_parameters     17
_refine_ls_number_reflns         265
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            10.6406
_cod_data_source_file            ic062425d_si_y2gei2.cif
_cod_data_source_block           Y2I2Ge
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        484.00(5)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4307922
_pd_proc_ls_prof_cr_factor       30.0822
_pd_proc_ls_prof_cwr_factor      17.7086
_pd_proc_ls_prof_cwr_expected    11.3936
_pd_proc_ls_prof_chi2            2.4157
_pd_proc_ls_prof_echi2           2.4157
Crystal Structures and in-Situ Formation Study of Mayenite Electrides
Luis Palacios; Ángeles G. De La Torre; Sebastián Bruque; Jose L. García-Muñoz; Santiago García-Granda; Denis Sheptyakov; Miguel A. G. Aranda; Inorganic Chemistry 46 (2007) 4167–4176; doi:10.1021/ic0700497

data_4308074
_publ_section_title
;
Crystal Structures and in-Situ Formation Study of Mayenite Electrides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4167
_journal_page_last               4176
_journal_paper_doi               10.1021/ic0700497
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Al7 Ca6 O16.52'
_chemical_formula_weight         693.67
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_audit_author_name               Luis
_audit_creation_date             2006-06-05T13:03
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2006-06-05T13:03  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.986813(5)
_cell_length_b                   11.986813
_cell_length_c                   11.986813
_cell_volume                     1722.3095(7)
_computing_structure_refinement  GSAS
_pd_block_id                     2006-06-05T13:03|C12A7-ST_RT_phase1|Luis||
_pd_phase_name                   C12A7-st
_pd_proc_ls_prof_R_factor        0.0489
_pd_proc_ls_prof_wR_factor       0.0356
_refine_ls_goodness_of_fit_all   0.58
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.12
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic0700497-file001_1.cif
_cod_data_source_block           C12A7-ST_RT_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (395
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (159 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1722.3090(8)
_cod_original_formula_sum        'Al7 Ca6.00 O16.52'
_cod_database_code               4308074
Crystal Structures and in-Situ Formation Study of Mayenite Electrides
Luis Palacios; Ángeles G. De La Torre; Sebastián Bruque; Jose L. García-Muñoz; Santiago García-Granda; Denis Sheptyakov; Miguel A. G. Aranda; Inorganic Chemistry 46 (2007) 4167–4176; doi:10.1021/ic0700497

data_4308075
_publ_section_title
;
Crystal Structures and in-Situ Formation Study of Mayenite Electrides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4167
_journal_page_last               4176
_journal_paper_doi               10.1021/ic0700497
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Al2 Ca O4'
_chemical_formula_weight         158.04
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_author_name               Luis
_audit_creation_date             2006-06-05T13:03
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2006-06-05T13:03  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.1665(19)
_cell_angle_gamma                90.0
_cell_formula_units_Z            12
_cell_length_a                   8.69417(20)
_cell_length_b                   8.09299(19)
_cell_length_c                   15.20965(32)
_cell_volume                     1070.17(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2006-06-05T13:03|C12A7-ST_RT_phase2|Luis||
_pd_phase_name                   CA
_pd_proc_ls_prof_R_factor        0.0489
_pd_proc_ls_prof_wR_factor       0.0356
_refine_ls_goodness_of_fit_all   0.58
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.12
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic0700497-file001_2.cif
_cod_data_source_block           C12A7-ST_RT_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (218
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (172 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1070.174(29)
_cod_database_code               4308075
Crystal Structures and in-Situ Formation Study of Mayenite Electrides
Luis Palacios; Ángeles G. De La Torre; Sebastián Bruque; Jose L. García-Muñoz; Santiago García-Granda; Denis Sheptyakov; Miguel A. G. Aranda; Inorganic Chemistry 46 (2007) 4167–4176; doi:10.1021/ic0700497

data_4308076
_publ_section_title
;
Crystal Structures and in-Situ Formation Study of Mayenite Electrides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4167
_journal_page_last               4176
_journal_paper_doi               10.1021/ic0700497
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Al7 Ca6 O16.27'
_chemical_formula_weight         689.62
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_audit_author_name               'Aranda M. A. G.'
_audit_creation_date             2006-04-03T12:06
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2006-04-03T12:06  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.992147(4)
_cell_length_b                   11.992147
_cell_length_c                   11.992147
_cell_volume                     1724.6097(6)
_computing_structure_refinement  GSAS
_pd_block_id
2006-04-03T12:06|C12A7_eV_RT_phase1|Aranda_M._A._G.||
_pd_phase_name                   C12A7-Verde
_pd_proc_ls_prof_R_factor        0.0515
_pd_proc_ls_prof_wR_factor       0.0450
_refine_ls_goodness_of_fit_all   0.78
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            ic0700497-file001_3.cif
_cod_data_source_block           C12A7_eV_RT_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (395
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (325 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1724.6100(7)
_cod_original_formula_sum        'Al7 Ca6.00 O16.27'
_cod_database_code               4308076
Three Novel Phases in the Sm-Co-Ga System. Syntheses, Crystal and Electronic Structures, and Electrical and Magnetic Properties
YongZhong Jia; Claude Belin; Monique Tillard; Laurence Lacroix-Orio; David Zitoun; GuoHua Feng; Inorganic Chemistry 46 (2007) 4177–4186; doi:10.1021/ic0700755

data_4308094
_publ_contact_author_address
;
Institut Charles Gerhardt  UMR 5253
AIME, CC15
Universit\'e de Montpellier II
Sciences et Techniques du Languedoc
2 Place Eug\`ene Bataillon 
34095 Montpellier C\'edex 5
France
;
_publ_contact_author_email       mtillard@univ-montp2.fr
_publ_contact_author_fax         330467143304
_publ_contact_author_name        'Monique TILLARD / Claude BELIN'
_publ_contact_author_phone       330467144897
_publ_section_title
;
Three Novel Phases in the Sm-Co-Ga System. Syntheses, Crystal and
Electronic Structures, and Electrical and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4177
_journal_page_last               4186
_journal_paper_doi               10.1021/ic0700755
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Co Ga5 Sm'
_chemical_formula_weight         557.90
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            1
_cell_length_a                   4.2419(3)
_cell_length_b                   4.2419(3)
_cell_length_c                   6.8559(5)
_cell_volume                     123.363(15)
_computing_structure_refinement  Rietica
_diffrn_ambient_temperature      293
_diffrn_detector                 Xcelerator
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Philips X'pert'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        109.988
_pd_meas_2theta_range_min        8.008
_pd_proc_ls_prof_R_factor        0.0136
_pd_proc_ls_prof_wR_factor       0.0203
_pd_spec_mount_mode              reflection
_cod_data_source_file            ic0700755-file003_1.cif
_cod_data_source_block           smcoga5
_cod_original_cell_volume        123.363(5)
_cod_original_formula_sum        'Co1 Ga5 Sm1'
_cod_database_code               4308094
Refinement of the crystal structures of epidote, allanite and hancockite
Dollase, W. A.; American Mineralogist 56 (1971) 447–464; doi:

data_9014008
_publ_section_title
;
 Refinement of the crystal structures of epidote, allanite and hancockite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              447
_journal_page_last               464
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum
'Al2.02 Ca1.13 Fe0.98 H Mn0.12 O13 Pb0.5 Si3 Sr0.25'
_chemical_name_mineral           Epidote-(Pb)
_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                 114.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.958
_cell_length_b                   5.665
_cell_length_c                   10.304
_cell_volume                     476.194
_database_code_amcsd             0000229
_exptl_crystal_density_diffrn    4.044
_cod_duplicate_entry             9000222
_cod_depositor_comments
;
 Replaced the _cod_related_entry data item with an entry in the
 COD_RELATED_ENTRY loop. Described the relationship of the entries
 using the _cod_related_entry_description data item.

 Antanas Vaitkus,
 2019-05-21
;
_cod_original_formula_sum
'Ca1.13 Pb.5 Sr.25 Mn.12 Si3 Al2.02 Fe.98 O13 H'
_cod_database_code               9014008
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Bosi, F.; Belardi, G.; Ballirano, P.; American Mineralogist 94 (2009) 74–82; doi:10.2138/am.2009.2898

data_9013501
_publ_section_title
;
 Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
 with M2+= Mg, Fe, Co, Ni, Cu, and Zn
;
_journal_name_full               'American Mineralogist'
_journal_page_first              74
_journal_page_last               82
_journal_paper_doi               10.2138/am.2009.2898
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H12 K2 Mg O14 S2'
_chemical_name_mineral           Picromerite
_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                 104.880
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0954
_cell_length_b                   12.2484
_cell_length_c                   6.1335
_cell_volume                     660.383
_database_code_amcsd             0004776
_exptl_crystal_density_diffrn    2.025
_cod_original_formula_sum        'K2 Mg S2 O14 H12'
_cod_database_code               9013501
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Bosi, F.; Belardi, G.; Ballirano, P.; American Mineralogist 94 (2009) 74–82; doi:10.2138/am.2009.2898

data_9013502
_publ_section_title
;
 Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
 with M2+= Mg, Fe, Co, Ni, Cu, and Zn
;
_journal_name_full               'American Mineralogist'
_journal_page_first              74
_journal_page_last               82
_journal_paper_doi               10.2138/am.2009.2898
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_structural     K2Fe(SO4)2(H2O)6
_chemical_formula_sum            'Fe H12 K2 O14 S2'
_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                 104.568
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0822
_cell_length_b                   12.2786
_cell_length_c                   6.1765
_cell_volume                     666.638
_database_code_amcsd             0004777
_exptl_crystal_density_diffrn    2.163
_cod_original_formula_sum        'K2 Fe S2 O14 H12'
_cod_database_code               9013502
_amcsd_formula_title             K2Fe(SO4)2(H2O)6
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, with M2+= Mg, Fe, Co, Ni, Cu, and Zn
Bosi, F.; Belardi, G.; Ballirano, P.; American Mineralogist 94 (2009) 74–82; doi:10.2138/am.2009.2898

data_9013503
_publ_section_title
;
 Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2,
 with M2+= Mg, Fe, Co, Ni, Cu, and Zn
;
_journal_name_full               'American Mineralogist'
_journal_page_first              74
_journal_page_last               82
_journal_paper_doi               10.2138/am.2009.2898
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_structural     K2Co(SO4)2(H2O)6
_chemical_formula_sum            'Co H12 K2 O14 S2'
_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                 104.839
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0609
_cell_length_b                   12.2156
_cell_length_c                   6.1586
_cell_volume                     658.927
_database_code_amcsd             0004778
_exptl_crystal_density_diffrn    2.204
_cod_original_formula_sum        'K2 Co S2 O14 H12'
_cod_database_code               9013503
_amcsd_formula_title             K2Co(SO4)2(H2O)6