#------------------------------------------------------------------------------
#$Date: 2015-07-11 22:01:11 +0200 (Sat 11 de Jul de 2015) $
#$Revision: 146057 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/51/1525155.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_1525155
loop_
_publ_author_name
'Ray, S.P.'
'Stubican, V.S.'
'Cox, D.E.'
_publ_section_title
;
 Neutron diffraction investigation of Zr3 Y4 O12
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1419
_journal_page_last               1423
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'O12 Y4 Zr3'
_chemical_name_systematic        'Zr (Y4 Zr2) 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                   9.729
_cell_length_b                   9.729
_cell_length_c                   9.103
_cell_volume                     746.194
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Ray_MRBUAC_1980_471.cif
_cod_data_source_block           O12Y4Zr3
_cod_original_cell_volume        746.1937
_cod_database_code               1525155
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
O2 O-2 0.458 0.297 0.224 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
O1 O-2 0.143 0.456 0.268 1 0.0
Zr2 Zr+4 0.408 0.284 -0.018 0.333 0.0
Y1 Y+3 0.408 0.284 -0.018 0.667 0.0
