Type II Bi~1{-~<i>x</i>}W<i>~x~</i>O~1.5+1.5<i>x~</i>: a (3+3)-dimensional commensurate modulation that stabilizes the fast-ion conducting delta phase of bismuth oxide
Wind, Julia; Auckett, Josie E.; Withers, Ray L.; Piltz, Ross O.; Maljuk, Andrey; Ling, Chris D.; Acta Crystallographica Section B 71 (2015) 679–687; doi:10.1107/S2052520615018351

data_2107274
_publ_section_title
;
 Type II Bi~1{-~<i>x</i>}W<i>~x~</i>O~1.5+1.5<i>x~</i>: a
 (3+3)-dimensional commensurate modulation that stabilizes the fast-ion
 conducting delta phase of bismuth oxide
;
_journal_coeditor_code           XW5002
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              679
_journal_page_last               687
_journal_paper_doi               10.1107/S2052520615018351
_journal_volume                  71
_journal_year                    2015
_chemical_formula_sum            'Bi23 O46.5 W4'
_chemical_formula_weight         6285.9
_chemical_name_systematic        ' ?'
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_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.633
_cell_length_b                   16.633
_cell_length_c                   16.633
_cell_measurement_temperature    293
_cell_volume                     4601.631
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.84
_diffrn_measured_fraction_theta_max 0.66
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     1
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       2
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            299
_diffrn_reflns_theta_full        30.67
_diffrn_reflns_theta_max         38.46
_diffrn_reflns_theta_min         5.72
_exptl_absorpt_coefficient_mu    0.004
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    9.0733
_exptl_crystal_F_000             10308
_exptl_crystal_size_rad          0.5
_refine_ls_abs_structure_details
'  12 of Friedel pairs used in the refinement'
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   11.69
_refine_ls_number_constraints    8
_refine_ls_number_parameters     21
_refine_ls_number_reflns         162
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2490
_refine_ls_R_factor_gt           0.2490
_refine_ls_shift/su_max          0.0316
_refine_ls_shift/su_mean         0.0097
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.2732
_refine_ls_wR_factor_ref         0.2732
_reflns_number_gt                162
_reflns_number_total             299
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            xw5002sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        4601.63
_cod_original_sg_symbol_Hall     'F -4;2;3'
_cod_database_code               2107274
_cod_database_fobs_code 2107274