#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537513.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_1537513
loop_
_publ_author_name
'Kierkegaard, P.'
_publ_section_title
;
 On the crystal structure of Mo O2 (P O3)2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              521
_journal_page_last               532
_journal_volume                  18
_journal_year                    1961
_chemical_formula_sum            'Mo O8 P2'
_chemical_name_systematic        '(Mo O2) (P O3)2'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.683
_cell_length_b                   7.426
_cell_length_c                   4.889
_cell_volume                     278.937
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Kierkegaard_ARKEAD_1961_1694.cif
_cod_data_source_block           Mo1O8P2
_cod_original_cell_volume        278.9368
_cod_original_formula_sum        'Mo1 O8 P2'
_cod_database_code               1537513
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,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
P1 P+5 0.642 0.139 0.25 1 0.0
O2 O-2 0.09 0.141 0.25 1 0.0
Mo1 Mo+6 0.219 0.25 0 0.5 0.0
O4 O-2 0.269 0.463 0.25 1 0.0
O3 O-2 0.44 0.137 0.25 1 0.0
O1 O-2 0.717 0.25 0 1 0.0
