Cu~2~CoTeO~6~
Becker, Richard; Berger, Helmuth; Acta Crystallographica Section E 62 (2006) i261–i262; doi:10.1107/S1600536806049075

data_2211384
_publ_section_title
;
 Cu~2~CoTeO~6~
;
_journal_coeditor_code           FI2018
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i261
_journal_page_last               i262
_journal_paper_doi               10.1107/S1600536806049075
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Cu2 Co Te O6'
_chemical_formula_moiety         'Co Cu2 O6 Te'
_chemical_formula_sum            'Co Cu2 O6 Te'
_chemical_formula_weight         409.61
_chemical_name_common
;
Dicopper(II) cobalt(II) tellurium(VI) hexaoxide
;
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.5677(5)
_cell_length_b                   9.5677(5)
_cell_length_c                   9.5677(5)
_cell_measurement_reflns_used    280
_cell_measurement_temperature    292(3)
_cell_measurement_theta_max      33.18
_cell_measurement_theta_min      4.25
_cell_volume                     875.84(8)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2005)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2005)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(3)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Oxford Xcalibur CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.011
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7504
_diffrn_reflns_theta_full        33.18
_diffrn_reflns_theta_max         33.18
_diffrn_reflns_theta_min         4.25
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    19.867
_exptl_absorpt_correction_T_max  0.294
_exptl_absorpt_correction_T_min  0.218
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Crysalis RED; Oxford Diffraction, 2005)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.220
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1480.0
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.049
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.873
_refine_ls_extinction_coef       0.00185(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.750
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         280
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.750
_refine_ls_R_factor_all          0.0148
_refine_ls_R_factor_gt           0.0143
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0195P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0432
_refine_ls_wR_factor_ref         0.0433
_reflns_number_gt                278
_reflns_number_total             280
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fi2018.cif
_cod_data_source_block           I
_cod_database_code               2211384