Missing Piece in the Crystal Chemistry of Zn-Sb Secondary Phases in ZnO-Sb2O3-Bi2O3 Varistor Ceramics: Orthorhombic beta-Zn7Sb2O12. An Experimental and Theoretical Study of the Crystal Structure and Its Thermal and Vibrational Spectroscopic Characterization
Betke, Ulf; Inorganic Chemistry 60 (2021) 8640–; doi:

data_4350797
_publ_section_title
;
 Missing Piece in the Crystal Chemistry of Zn-Sb Secondary Phases in
 ZnO-Sb2O3-Bi2O3 Varistor Ceramics: Orthorhombic beta-Zn7Sb2O12. An
 Experimental and Theoretical Study of the Crystal Structure and Its
 Thermal and Vibrational Spectroscopic Characterization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8640
_journal_volume                  60
_journal_year                    2021
_chemical_formula_moiety         'O12 Sb2 Zn7'
_chemical_formula_sum            'O12 Sb2 Zn7'
_chemical_formula_weight         893.25
_chemical_name_common            beta-Zn7Sb2O12
_space_group_IT_number           67
_space_group_name_Hall           '-C 2a 2'
_space_group_name_H-M_alt        'C m m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_audit_creation_method           'TOPAS Academic V6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.10616(2)
_cell_length_b                   18.56652(3)
_cell_length_c                   8.521538(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1915.380(6)
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'LynxEye XE-T'
_diffrn_detector_type            'multiple strip detector'
_diffrn_measurement_device_type  'Bruker D8 Discover'
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\b'
_diffrn_radiation_wavelength     1.392
_diffrn_source                   'laboratory X-ray source'
_diffrn_source_target            Cu
_diffrn_source_type              'laboratory X-ray source'
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    6.19610
_exptl_crystal_description       powder
_pd_char_colour                  white
_pd_char_particle_morphology     compact
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        160.006
_pd_meas_2theta_range_min        8.000
_pd_meas_number_of_points        11730
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.013
_pd_proc_2theta_range_max        160.006
_pd_proc_2theta_range_min        8.000
_pd_proc_ls_background_function  Chebychev
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     'fundamental parameter approach'
_pd_proc_ls_prof_R_factor        1.838
_pd_proc_ls_prof_wR_expected     2.189
_pd_proc_ls_prof_wR_factor       2.724
_pd_spec_mounting                'backloading sample holder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              10
_pd_spec_size_equat              10
_pd_spec_size_thick              2
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.244
_refine_ls_number_parameters     38
_refine_ls_R_factor_all          1.292
_refine_ls_shift/su_max          0.0001
_refine_ls_weighting_scheme      calc
_cod_data_source_file
beta_Zn7Sb2O12_0.9_slit_0.013_step_20_s_8-160_Kbeta_scaled_fertig_ausgefllt.cif
_cod_data_source_block           beta_Zn7Sb2O12
_cod_original_sg_symbol_Hall     '-C 2b 2'
_cod_database_code               4350797