Crystal structure and magnetic properties and Zn substitution effects on the spin-chain compound Sr3Co2O6
Wang, Xia; Guo, Yanfeng; Sun, Ying; Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Yamaura, Kazunari; Journal of Solid State Chemistry 204 (2013) 40–46; doi:10.1016/j.jssc.2013.05.014

data_1562582
_publ_section_title
;
 Crystal structure and magnetic properties and Zn substitution effects on
 the spin-chain compound Sr3Co2O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              40
_journal_page_last               46
_journal_paper_doi               10.1016/j.jssc.2013.05.014
_journal_volume                  204
_journal_year                    2013
_chemical_formula_sum            'Co O6 Sr3 Zn'
_chemical_formula_weight         483.17
_space_group_crystal_system      hexagonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   9.55191(3)
_cell_length_b                   9.55191(3)
_cell_length_c                   10.88790(4)
_cell_measurement_temperature    295
_cell_volume                     860.310(5)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Revolver undulator'
_diffrn_radiation_wavelength     0.65298
_diffrn_source                   Synchrotron
_diffrn_source_type              'SPring-8 BL15XU'
_exptl_crystal_density_diffrn    5.595583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1314.000
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.003
_pd_meas_2theta_range_max        57.8642
_pd_meas_2theta_range_min        2.0000
_pd_meas_number_of_points        18684
_pd_meas_scan_method             step
_pd_prep_pressure                6.0e+06
_pd_prep_temperature             1695
_pd_proc_2theta_range_inc        0.003
_pd_proc_2theta_range_max        57.0082
_pd_proc_2theta_range_min        5.0020
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.00937
_pd_proc_ls_prof_wR_expected     0.00156
_pd_proc_ls_prof_wR_factor       0.01411
_pd_spec_mounting                '  powder '
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   9.0637
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    4
_refine_ls_number_parameters     91
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.06211
_refine_ls_R_I_factor            0.06615
_refine_ls_shift/su_max          0.0
_refine_ls_shift/su_mean         0.0
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            JSSC-2013-204-40.cif
_cod_data_source_block           SrCoZnO
_cod_original_cell_volume        860.3104(51)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               1562582