#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014282.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_9014282
loop_
_publ_author_name
'Kihlborg, L.'
_publ_section_title
;
 Least squares refinement of the crystal structure of molybdenum trioxide
;
_journal_name_full               'Arkiv for Kemi'
_journal_page_first              357
_journal_page_last               364
_journal_volume                  21
_journal_year                    1963
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mo O3'
_chemical_name_mineral           Molybdite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9628
_cell_length_b                   13.855
_cell_length_c                   3.6964
_cell_formula_units_Z            4
_cell_volume                     202.949
_database_code_amcsd             0018982
_exptl_crystal_density_diffrn    4.711
_cod_database_code               9014282
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-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
Mo 0.08669 0.10164 0.25000 0.00291
O1 0.49940 0.43513 0.25000 0.00711
O2 0.52120 0.08657 0.25000 0.00795
O3 0.03730 0.22140 0.25000 0.01204
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018982