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#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003106.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2003106
_journal_name_full               'Acta Crystallographica, Section B'
_journal_volume                  55
_journal_year     1999
_journal_page_first     306
_journal_page_last     312
_publ_section_title
;
Structures of BI14WO24 and Bi14MoO24 from Neutron Powder Diffraction Data
;
loop_
    _publ_author_name
    'Ling, C. D.'#<--'Last name, first name'
    'Withers, R. L.'
    'Thompson, J. G.'
    'Schmid, S.'
_chemical_name_systematic
;
bismuth tungsten oxide
;
_chemical_name_common     ?
_chemical_formula_moiety     ?
_chemical_formula_sum     Bi14MoO24
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_weight     3405.66
_chemical_melting_point     ?
_symmetry_cell_setting     tetragonal
_symmetry_space_group_name_H-M     'I 4/m'
_symmetry_space_group_name_Hall     ?
loop_
    _symmetry_equiv_pos_as_xyz
    +x,+y,+z
    -y,+x,+z
    -x,-y,+z
    +y,-x,+z
    -x,-y,-z
    +y,-x,-z
    +x,+y,-z
    -y,+x,-z
    +x+1/2,+y+1/2,+z+1/2
    -y+1/2,+x+1/2,+z+1/2
    -x+1/2,-y+1/2,+z+1/2
    +y+1/2,-x+1/2,+z+1/2
    -x+1/2,-y+1/2,-z+1/2
    +y+1/2,-x+1/2,-z+1/2
    +x+1/2,+y+1/2,-z+1/2
    -y+1/2,+x+1/2,-z+1/2
_cell_length_a     8.70839(4)
_cell_length_b     8.70839
_cell_length_c     17.31634(14)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     1313.202(14)
_cell_formula_units_Z     2
_cell_measurement_temperature     293
_exptl_absorpt_coefficient_mu     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_diffrn_ambient_temperature     293
_diffrn_radiation_type     neutron
_diffrn_radiation_wavelength     ?
_diffrn_radiation_source     'spallation'
_diffrn_radiation_monochromator     ?
_diffrn_measurement_device     '3He gas and ZnS scintillation counters'
_diffrn_measurement_method     'time-of-flight'
_refine_ls_structure_factor_coef     ?
_refine_ls_matrix_type     ?
_refine_ls_R_factor_all     ?
_refine_ls_goodness_of_fit_all     2.59
_refine_ls_restrained_S_all     ?
_refine_ls_restrained_S_obs     ?
_refine_ls_number_parameters     56
_refine_ls_number_restraints     ?
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_weighting_scheme     ?
_refine_ls_shift/esd_max     ?
_refine_ls_shift/esd_mean     ?
_refine_ls_extinction_method     ?
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     ?
_refine_ls_abs_structure_Flack     ?
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Bi(1) .44022(13) .21306(15) .0 .0097(2)   Uiso 1.0
    Bi(2) .39542(11) .20048(13) .32975(5) .00794(11) Uiso 1.0
    Bi(3) .0 .0 .34376(13) .0159(4) Uiso 1.0
    Mo(1) .0 .0 .0 .0495(15) Uiso 1.0
    O(1) .0 .0 .1189(4) .02643 Uani .5
    O(2) .0 .5 .12306(16) .0176(4) Uiso 1.0
    O(3) .1929(7) -.0106(16) .0 .19787 Uani .75
    O(4) .62344(18) .32173(17) .07786(10) .0157(3)   Uiso 1.0
    O(5) .25313(15) .07313(15) .25669(8) .0108(2)   Uiso 1.0
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    O(1) .034(2)   .034(2)   .012(3)   .0 .0 .0
    O(3) .048(5) .389(15) .156(8) .024(7) .0 .0