Homologous compounds of type ARO3(ZnO) in the system Ga-Sn-Zn-O
Eichhorn, Simon; Schmid, Herbert; Assenmacher, Wilfried; Mader, Werner; Journal of Solid State Chemistry 246 (2017) 214–220; doi:10.1016/j.jssc.2016.11.031

data_1560644
_publ_section_title
;
 Homologous compounds of type ARO3(ZnO) in the system Ga-Sn-Zn-O
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_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              214
_journal_page_last               220
_journal_paper_doi               10.1016/j.jssc.2016.11.031
_journal_volume                  246
_journal_year                    2017
_chemical_formula_moiety         'Ga1  O6  Sn0.5  Zn3.5'
_chemical_formula_sum            'Ga O6 Sn0.5 Zn3.5'
_chemical_formula_weight         453.94
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.2387(7)
_cell_length_b                   3.2387(7)
_cell_length_c                   41.779(11)
_cell_measurement_reflns_used    536
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      28.009
_cell_measurement_theta_min      2.925
_cell_measurement_wavelength     0.71073
_cell_volume                     379.52(15)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.971
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2689
_diffrn_reflns_av_unetI/netI     0.1154
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            1494
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.009
_diffrn_reflns_theta_min         2.925
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    23.999
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    5.958
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal plate-shaped'
_exptl_crystal_F_000             627
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.008
_exptl_crystal_size_min          0.005
_refine_diff_density_max         1.397
_refine_diff_density_min         -2.011
_refine_diff_density_rms         0.417
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     19
_refine_ls_number_reflns         201
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.064
_refine_ls_R_factor_gt           0.047
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0130P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0735
_reflns_Friedel_coverage         0
_reflns_number_gt                157
_reflns_number_total             201
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            JSSC-2017-246-214.cif
_cod_data_source_block           1
_cod_original_cell_volume        379.52(19)
_cod_original_formula_sum        'Ga O6 Sn0.50 Zn3.50'
_cod_database_code               1560644