Structure of Ga~2~O~3~(ZnO)~6~: a member of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i>
Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Acta Crystallographica Section B 64 (2008) 521–526; doi:10.1107/S0108768108021125

data_2104210
_publ_section_title
;
 Structure of Ga~2~O~3~(ZnO)~6~: a member of the homologous series
 Ga~2~O~3~(ZnO)~<i>m~</i>
;
_journal_coeditor_code           KD5022
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              521
_journal_page_last               526
_journal_paper_doi               10.1107/S0108768108021125
_journal_volume                  64
_journal_year                    2008
_chemical_formula_sum            'Ga2 O9 Zn6'
_chemical_formula_weight         675.7
_chemical_name_systematic        ' ?'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   3.2465(9)
_cell_length_b                   19.640(5)
_cell_length_c                   24.783(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15.7
_cell_measurement_theta_min      12.6
_cell_volume                     1580.2(7)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1223
_diffrn_reflns_av_sigmaI/netI    0.1343
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            7287
_diffrn_reflns_theta_full        44.98
_diffrn_reflns_theta_max         44.98
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    24.631
_exptl_absorpt_correction_T_max  0.61
_exptl_absorpt_correction_T_min  0.18
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'Absorption correction given as psi-scan'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.679
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.32
_refine_diff_density_min         -1.93
_refine_ls_extinction_coef       0.0078(3)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_number_parameters     113
_refine_ls_number_reflns         3699
_refine_ls_R_factor_all          0.1812
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.0331
_refine_ls_shift/su_mean         0.0033
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0001I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.1005
_reflns_number_gt                1349
_reflns_number_total             3699
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kd5022.cif
_cod_data_source_block           I
_cod_database_code               2104210
_cod_database_fobs_code          2104210