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#$Date: 2015-07-14 02:02:29 +0300 (Tue, 14 Jul 2015) $
#$Revision: 151488 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/87/1528796.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_1528796
loop_
_publ_author_name
'Pertlik, F.'
'Zemann, J.'
_publ_section_title
;
 Neubestimmung der Kristallstruktur des Koechlinits
;
_journal_name_full               'Fortschritte der Mineralogie, Beiheft'
_journal_page_first              162
_journal_page_last               163
_journal_volume                  60
_journal_year                    1982
_chemical_formula_sum            'Bi2 Mo O6'
_chemical_name_systematic        'Bi2 Mo O6'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.506
_cell_length_b                   16.226
_cell_length_c                   5.487
_cell_volume                     490.211
_citation_journal_id_ASTM        FMNBB6
_cod_data_source_file            Pertlik_FMNBB6_1982_602.cif
_cod_data_source_block           Bi2Mo1O6
_cod_original_cell_volume        490.2105
_cod_chemical_formula_sum_orig   'Bi2 Mo1 O6'
_cod_database_code               1528796
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 0.082 0.108 0.065 1 0.0
Mo1 Mo+6 0 0 0 1 0.0
Bi1 Bi+3 0.0045 0.172 0.4801 1 0.0
O1 O-2 0.244 0.249 0.281 1 0.0
O2 O-2 0.187 0.481 0.205 1 0.0