#------------------------------------------------------------------------------
#$Date: 2010-06-10 16:11:07 +0100 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009778.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009778
loop_
_publ_author_name
'Dinnebier, R. E.'
'Ibberson, R. M.'
'Ehrenberg, H.'
'Jansen, M.'
_publ_section_title
;
 The crystal structures of the binary valence compound Bi3BiO7 and isotypic
 Bi3SbO7 as determined by high resolution X-ray and neutron powder diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              332
_journal_page_last               339
_journal_volume                  163
_journal_year                    2002
_chemical_formula_sum            'Bi3 O7 Sb'
_chemical_name_mineral           Bi3SbO7
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.388
_cell_angle_beta                 89.225
_cell_angle_gamma                76.190
_cell_length_a                   6.6044
_cell_length_b                   7.0146
_cell_length_c                   7.6048
_cell_volume                     327.278
_exptl_crystal_density_diffrn    8.734
_[local]_cod_chemical_formula_sum_orig 'Bi3 Sb O7'
_cod_database_code               9009778
_amcsd_database_code             AMCSD#0012900
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi1 0.73970 0.46120 0.63200 0.01400
Bi2 0.26180 0.49800 -0.12400 0.01300
Sb3 0.00000 0.00000 0.00000 0.00100
Bi4 0.48990 0.00750 0.25430 0.01300
Sb5 0.00000 0.00000 0.50000 0.01400
O1 0.12000 0.70400 0.03600 0.01400
O2 0.88700 0.29500 0.38200 0.00700
O3 0.08900 -0.06500 0.26900 0.00800
O4 0.52700 0.66100 0.36500 ?
O5 0.27100 0.05200 0.52400 0.01400
O6 0.27400 0.04700 -0.05800 0.01100
O7 0.46900 0.37400 0.18700 0.00900