Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates K2M2(SO4)3 with M = Fe and Cu.
Lander, Laura; Rousse, Gwenaëlle; Batuk, Dmitry; Colin, Claire V.; Dalla Corte, Daniel Alves; Tarascon, Jean-Marie; Inorganic chemistry 56 (2017) 2013–2021; doi:10.1021/acs.inorgchem.6b02526

data_4345063
_publ_section_title
;
 Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates
 K2M2(SO4)3 with M = Fe and Cu.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2013
_journal_page_last               2021
_journal_paper_doi               10.1021/acs.inorgchem.6b02526
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'Cu3 K2 O13 S3'
_chemical_formula_weight         573.02
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 110.63109
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   19.09059
_cell_length_b                   9.52853
_cell_length_c                   14.18650
_cell_measurement_temperature    293
_cell_volume                     2415.101
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41454
_diffrn_source                   synchrotron
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.001000
_pd_meas_2theta_range_max        49.99300
_pd_meas_2theta_range_min        0.50000
_pd_meas_number_of_points        49494
_pd_proc_2theta_range_inc        0.001000
_pd_proc_2theta_range_max        49.9950
_pd_proc_2theta_range_min        0.5020
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        6.1615
_pd_proc_ls_prof_wR_expected     3.3474
_pd_proc_ls_prof_wR_factor       8.2570
_pd_proc_wavelength              0.414536
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     71
_refine_ls_number_reflns         10710
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            2.4726
_cod_data_source_file            ic6b02526_si_004.cif
_cod_data_source_block           K2Cu3S3O13
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4345063.cif.
;
_cod_original_cell_volume        2415.10083
_cod_original_formula_sum        K2Cu3S3O13
_cod_database_code               4345063
_pd_proc_ls_prof_cr_factor       7.8778
_pd_proc_ls_prof_cwr_factor      10.6381
_pd_proc_ls_prof_cwr_expected    4.3127
_pd_proc_ls_prof_chi2            6.0847
_pd_proc_ls_prof_echi2           6.1231