#------------------------------------------------------------------------------
#$Date: 2015-10-13 18:11:37 +0200 (Tue, 13 Oct 2015) $
#$Revision: 167403 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/87/1538724.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_1538724
loop_
_publ_author_name
'Marcano, C.M.'
'Otero-Diaz, L.C.'
'Vegas, A.'
'Rasines, I.'
_publ_section_title
;
 Crystal growth and crystal structure of Gd3 Sb5 O12: A new relation
 between the ccp and the Mn5 Si3 and apatite structures
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              176
_journal_page_last               182
_journal_volume                  555
_journal_year                    1987
_chemical_formula_sum            'Gd3 O12 Sb5'
_chemical_name_systematic        'Gd3 Sb5 O12'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8557
_cell_length_b                   10.8557
_cell_length_c                   10.8557
_cell_volume                     1279.303
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Marcano_ZAACAB_1987_1830.cif
_cod_data_source_block           Gd3O12Sb5
_cod_database_code               1538724
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
y+1/2,x+1/2,z+1/2
z+1/2,x+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
z+1/2,-x+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
x+1/2,z+1/2,y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
z+1/2,y+1/2,x+1/2
-y+1/2,-z+1/2,x+1/2
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+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
O1 O-2 -0.1079 0.5987 0.5987 1 0.0
O2 O-2 -0.1399 -0.1399 0.6618 1 0.0
Gd1 Gd+3 0.75 0.5 0 1 0.0
Sb1 Sb+3 0 0 -0.2806 1 0.0
Sb2 Sb+3 0.743 0.743 0.743 1 0.0
