The solid solution Co~3.6~Mg~1.4~Cl~2~(TeO~3~)~4~
Takagi, Rie; Hjelmqvist, Daisy Torino; Johnsson, Mats; Acta Crystallographica Section E 63 (2007) i146–i147; doi:10.1107/S1600536807024014

data_2213986
_publ_section_title
;
 The solid solution Co~3.6~Mg~1.4~Cl~2~(TeO~3~)~4~
;
_journal_coeditor_code           WM2109
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i146
_journal_page_last               i147
_journal_paper_doi               10.1107/S1600536807024014
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Co3.617 Mg1.383 Cl2 (Te O3 )4'
_chemical_formula_moiety         '(Co3.617 Mg1.383) (Te4 O12) Cl2'
_chemical_formula_structural     'Cl2 Co3.617 Mg1.383 O12 Te4'
_chemical_formula_sum            'Cl2 Co3.617 Mg1.383 O12 Te4'
_chemical_formula_weight         1020.08
_chemical_name_systematic
;
cobalt magnesium dichloride tetrakis[trioxotellurate(IV)]
;
_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'
_audit_creation_method           Jana2000
_cell_angle_alpha                90
_cell_angle_beta                 125.3607(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8551(11)
_cell_length_b                   5.2584(2)
_cell_length_c                   16.4637(10)
_cell_measurement_reflns_used    5897
_cell_measurement_temperature    292
_cell_measurement_theta_max      36.7639
_cell_measurement_theta_min      3.8672
_cell_volume                     1401.81(13)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'DIAMOND (Bergerhoff, 1996)'
_computing_publication_material  JANA2000
_computing_structure_refinement
'JANA2000 (Pet\<r\'i\<cek <i>et al.</i>,  2000)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292
_diffrn_detector_area_resol_mean 6.7
_diffrn_measured_fraction_theta_full 0.95
_diffrn_measured_fraction_theta_max 0.95
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur3'
_diffrn_measurement_method       \f-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8065
_diffrn_reflns_theta_full        36.26
_diffrn_reflns_theta_max         36.83
_diffrn_reflns_theta_min         4.07
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.874
_exptl_absorpt_correction_T_max  0.2203
_exptl_absorpt_correction_T_min  0.1452
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'[X-RED (Stoe & Cie, 1999) and X-Shape (Stoe & Cie, 2001)]'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    4.8318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.113
_exptl_crystal_size_mid          0.095
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.0176
_refine_ls_shift/su_mean         0.0013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0004F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0628
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_reflns_number_gt                2376
_reflns_number_total             3246
_reflns_threshold_expression     I>3\s(I)
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_cod_data_source_block           I
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_cod_database_fobs_code          2213986