#------------------------------------------------------------------------------
#$Date: 2015-07-13 07:32:45 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150066 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528127.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_1528127
loop_
_publ_author_name
'Thornber, M.R.'
'Bevan, D.J.M.'
_publ_section_title
;
 Mixed oxides of the type M O2 (fluorite)-M2 O3. IV. Crystal structures of
 the high- and low-temperature forms of Zr3 Yb4 O12
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              536
_journal_page_last               544
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'O12 Yb4 Zr3'
_chemical_name_systematic        'Zr3 Yb4 O12'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.68
_cell_length_b                   9.68
_cell_length_c                   8.96
_cell_volume                     727.092
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Thornber_JSSCBI_1970_1940.cif
_cod_data_source_block           O12Yb4Zr3
_cod_database_code               1528127
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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 0.571 0.0
Zr1 Zr+4 0 0 0 0.429 0.0
O2 O-2 0.205 0.18 0.098 1 0.0
Zr2 Zr+4 0.2567 0.213 0.3516 0.429 0.0
O1 O-2 0.021 0.205 0.381 1 0.0
Yb2 Yb+3 0.2576 0.213 0.3516 0.571 0.0
