#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/76/1537654.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_1537654
loop_
_publ_author_name
'Andersson, G.'
'Magneli, A.'
_publ_section_title
;
 On the crystal structure of molybdenum trioxide
;
_journal_name_full               'Acta Chemica Scandinavica (43,1989-)'
_journal_page_first              793
_journal_page_last               797
_journal_volume                  4
_journal_year                    1950
_chemical_formula_sum            'Mo O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.825
_cell_length_b                   3.694
_cell_length_c                   3.954
_cell_volume                     201.929
_citation_journal_id_ASTM        ACHSE7
_cod_data_source_file            Andersson_ACHSE7_1950_696.cif
_cod_data_source_block           Mo1O3
_cod_original_formula_sum        'Mo1 O3'
_cod_database_code               1537654
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
O2 O-2 0.1 0.25 0.56 1 0.0
O3 O-2 0.23 0.25 0.015 1 0.0
O1 O-2 0.435 0.25 0.525 1 0.0
Mo1 Mo+6 0.0998 0.25 0.0847 1 0.0
