Synthesis, Structure, and Magnetic Properties of the Layered Copper(II) Oxide Na2Cu2TeO6
Jianxiao Xu; Abdeljalil Assoud; Navid Soheilnia; Shahab Derakhshan; Heather L. Cuthbert; John E. Greedan; Mike H. Whangbo; Holger Kleinke; Inorganic Chemistry 44 (2005) 5042–5046; doi:10.1021/ic0502832

data_4309206
_publ_section_title
;
Synthesis, Structure, and Magnetic Properties of the Layered Copper(II)
Oxide Na2Cu2TeO6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5042
_journal_page_last               5046
_journal_paper_doi               10.1021/ic0502832
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Cu2 Na2 O6 Te'
_chemical_formula_weight         396.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.740(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.7059(6)
_cell_length_b                   8.6751(9)
_cell_length_c                   5.9380(6)
_cell_measurement_temperature    200(2)
_cell_volume                     269.06(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1471
_diffrn_reflns_theta_full        35.00
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         3.75
_exptl_absorpt_coefficient_mu    13.341
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psiscan
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    4.896
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             360
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.097
_refine_diff_density_min         -1.934
_refine_diff_density_rms         0.388
_refine_ls_extinction_coef       0.0096(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_matrix_type           full
_refine_ls_number_parameters     31
_refine_ls_number_reflns         605
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0313
_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^)+(0.0545P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0823
_reflns_number_gt                602
_reflns_number_total             605
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0502832si20050222_041934.cif
_cod_data_source_block           nacuteo
_cod_original_cell_volume        269.05(5)
_cod_database_code               4309206