#------------------------------------------------------------------------------
#$Date: 2015-07-06 23:06:45 +0200 (lun 06 de jul de 2015) $
#$Revision: 140485 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520915.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_1520915
loop_
_publ_author_name
'Buehler, R.'
'Guenter, J.R.'
'Baerlocher, C.'
_publ_section_title
;
 Preparation and characterization of a new ternary chromium(III)-
 molybdenum(VI) oxide Cr2-2x Mox O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              350
_journal_page_last               353
_journal_volume                  140
_journal_year                    1998
_chemical_formula_sum            'Cr1.776 Mo0.112 O3'
_chemical_name_systematic        '(Cr1.776 Mo0.112) O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.944
_cell_length_b                   4.944
_cell_length_c                   13.569
_cell_volume                     287.234
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Buehler_JSSCBI_1998_1669.cif
_cod_data_source_block           Cr1.776Mo0.112O3
_cod_original_cell_volume        287.2337
_cod_database_code               1520915
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
O1 O-2 0.315 0 0.25 1 0.0
Mo1 Mo+6 0 0 0 0.112 0.0
Cr1 Cr+3 0 0 0.3455 0.888 0.0
