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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/65/1536578.cif $
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#
# 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_1536578
loop_
_publ_author_name
'Khrustalev, V.N.'
'Pisarevskii, A.P.'
'Varfolomeev, M.B.'
'Shamrai, N.B.'
'Struchkov, Yu.T.'
_publ_section_title
;
 Crystal structure of high temperature modification of ytterbium
 perrhenate Yb (Re O4)3
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              871
_journal_page_last               872
_journal_volume                  19
_journal_year                    1993
_chemical_formula_sum            'O12 Re3 Yb'
_chemical_name_systematic        'Yb (Re O4)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.999
_cell_length_b                   9.999
_cell_length_c                   6.07
_cell_volume                     525.572
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Khrustalev_KOKHDC_1993_1380.cif
_cod_data_source_block           O12Re3Yb1
_cod_original_cell_volume        525.5723
_cod_original_formula_sum        'O12 Re3 Yb1'
_cod_database_code               1536578
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
O3 O-2 0.488 0.638 -0.012 1 0.0
O2 O-2 0.254 0.1 0.25 1 0.0
O1 O-2 0.299 0.393 0.25 1 0.0
Yb1 Yb+3 0.3333 0.6667 0.25 1 0.0
Re1 Re+7 0.3957 0.3029 0.25 1 0.0