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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011351.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_9011351
loop_
_publ_author_name
'Teller, R. G.'
'Brazdil, J. F.'
'Grasselli, R. K.'
'Jorgensen, J. D.'
_publ_section_title
;
 The structure of gamma-bismuth molybdate, Bi2MoO6, by powder neutron diffraction
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2001
_journal_page_last               2005
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Bi2 Mo O6'
_chemical_name_mineral           Koechlinite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4822
_cell_length_b                   16.1986
_cell_length_c                   5.5091
_cell_volume                     489.230
_exptl_crystal_density_diffrn    8.280
_cod_database_code               9011351
_amcsd_database_code             AMCSD#0009769
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,-y,z
1/2-x,y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi1 0.51800 0.42320 0.98140 0.00380
Bi2 0.48220 0.07830 0.98970 0.01267
Mo 0.00280 0.24880 0.00000 0.00633
O1 0.05560 0.14070 0.09590 0.00380
O2 0.25940 -0.00170 0.27760 0.00507
O3 0.23600 0.50060 0.26640 0.01646
O4 0.69170 0.23220 0.25240 0.01140
O5 0.21210 0.26340 0.35500 0.01393
O6 0.56540 0.35890 0.57000 0.01773