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#$Date: 2015-09-29 07:53:35 +0200 (Tue 29 de Sep de 2015) $
#$Revision: 158962 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532944.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_1532944
loop_
_publ_author_name
'Morozov, V.A.'
'van Tendeloo, G.'
'Lazoryak, B.I.'
'Lebedev, O.I.'
'Amelinckx, S.'
_publ_section_title
;
 Structures of three polymorphs of the complex oxide K5 Yb (Mo O4)4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              76
_journal_page_last               87
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'K2.5 Mo2 O8 Yb0.5'
_chemical_name_systematic        'K2 (K0.5 Yb0.5) (Mo O4)2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.0372
_cell_length_b                   6.0372
_cell_length_c                   20.4045
_cell_volume                     644.062
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Morozov_JSSCBI_2003_258.cif
_cod_data_source_block           K2.5Mo2O8Yb0.5
_cod_database_code               1532944
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-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+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
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+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-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+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Yb1 Yb+3 0 0 0 0.5 0.0
K1 K+1 0 0 0 0.5 0.0
K2 K+1 0 0 0.1954 1 0.0
Mo1 Mo+6 0 0 0.3989 1 0.0
O1 O-2 0 0 0.3181 1 0.0
O2 O-2 0.8306 0.1694 0.4111 1 0.0
