Gd~4~Mo~7~O~27~, a novel phase in the Gd~2~O~3~‒MoO~3~ system
Haruo Naruke; Toshihiro Yamase; Acta Crystallographica Section E 58 (2002) i62–i64; doi:10.1107/S1600536802010334

data_2201244
_publ_section_title
;
 Gd~4~Mo~7~O~27~, a novel phase in the Gd~2~O~3~--MoO~3~ system
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i62
_journal_page_last               i64
_journal_paper_doi               10.1107/S1600536802010334
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Gd4 Mo7 O27'
_chemical_formula_structural     'Gd4 Mo7 O27'
_chemical_formula_sum            'Gd4 Mo7 O27'
_chemical_formula_weight         1732.56
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.816(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.034(2)
_cell_length_b                   14.677(2)
_cell_length_c                   14.3480(10)
_cell_measurement_reflns_used    15047
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.8
_cell_volume                     4689.4(8)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 2000'
_computing_publication_material
'TEXSAN (Molecular Structure Corporation, 2000'
_computing_structure_refinement
'TEXSAN (Molecular Structure Corporation, 2000'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9919
_diffrn_measured_fraction_theta_max 0.9919
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24606
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    14.879
_exptl_absorpt_correction_T_max  0.197
_exptl_absorpt_correction_T_min  0.101
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6128.0
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         4.62
_refine_diff_density_min         -3.57
_refine_ls_extinction_coef       0.00217(4)
_refine_ls_extinction_method
'Zachariasen (1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.377
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6778
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.0017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1077
_reflns_number_gt                5944
_reflns_number_total             6779
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            br6055.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201244
_cod_database_fobs_code          2201244