#------------------------------------------------------------------------------
#$Date: 2015-10-10 06:23:30 +0200 (Sat, 10 Oct 2015) $
#$Revision: 164923 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/69/1536997.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_1536997
loop_
_publ_author_name
'Red'ko, V.P.'
'Lopato, L.M.'
_publ_section_title
;
 Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1905
_journal_page_last               1910
_journal_volume                  27
_journal_year                    1991
_chemical_formula_sum            'Er4 O12 Zr3'
_chemical_name_systematic        'Er4 Zr3 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                   9.698
_cell_length_b                   9.698
_cell_length_c                   9.054
_cell_volume                     737.455
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Redko_IVNMAW_1991_1185.cif
_cod_data_source_block           Er4O12Zr3
_cod_original_cell_volume        737.4549
_cod_database_code               1536997
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
O1 O-2 0.302 0.464 -0.229 1 0.0
O2 O-2 0.3 0.446 0.263 1 0.0
Er1 Er+3 0.2881 0.4132 0.0143 0.667 0.0
Zr1 Zr+4 0 0 0 1 0.0
Zr2 Zr+4 0.2881 0.4132 0.0143 0.333 0.0
