#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537517.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_1537517
loop_
_publ_author_name
'Kihlborg, L.'
'Roennquist, A.'
'Haegerstroem, G.'
_publ_section_title
;
 On Molybdenum Oxide Hydroxides Genotypic with Mo O3
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1187
_journal_page_last               1188
_journal_volume                  15
_journal_year                    1961
_chemical_formula_sum            'H0.5 Mo O3'
_chemical_name_systematic        'Mo O2.5 (O H).5'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.888
_cell_length_b                   14.082
_cell_length_c                   3.734
_cell_volume                     204.440
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Kihlborg_ACSAA4_1961_1920.cif
_cod_data_source_block           H0.5Mo1O3
_cod_original_cell_volume        204.4395
_cod_original_formula_sum        'H0.5 Mo1 O3'
_cod_database_code               1537517
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
O2 O-2 0 0.6 0.25 1 0.0
O1 O-2 0 0.935 0.25 1 0.0
Mo1 Mo+5 0 0.0998 0.25 1 0.0
O3 O-2 0 0.23 0.25 1 0.0
