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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/12/1541240.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_1541240
loop_
_publ_author_name
'Mirmelstein, A.'
'Goshchitskii, B.'
'Podlesnyak, A.'
'Allenspach, P.'
'Lebedev, S.'
'Voronin, V.I.'
'Fischer, P.'
'Mesot, J.'
'Guillaume, M.'
'Staub, U.'
'Furrer, A.'
_publ_section_title
;
 Neutron scattering studies of crystal structure and crystalline electric
 field in high-Tc ErBa2Cu3O/x disordered by fast neutron irradiation
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              337
_journal_page_last               343
_journal_volume                  200
_journal_year                    1992
_chemical_formula_sum            'Ba2 Cu3 Er O6.12'
_chemical_name_systematic        'Er Ba2 Cu3 O6.12'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.811
_cell_length_b                   3.8793
_cell_length_c                   11.639
_cell_volume                     172.071
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Mirmelstein_PHYCE6_1992_1644.cif
_cod_data_source_block           Ba2Cu3Er1O6.12
_cod_original_cell_volume        172.0711
_cod_original_formula_sum        'Ba2 Cu3 Er1 O6.12'
_cod_database_code               1541240
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
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
Cu2 Cu+1 0 0 0.3563 1 0.0
O2 O-2 0.5 0 0.3784 1 0.0
O5 O-2 0 0.5 0 0.006 0.0
Ba1 Ba+2 0.5 0.5 0.1838 1 0.0
O4 O-2 0.5 0 0 0.116 0.0
O3 O-2 0 0.5 0.3782 1 0.0
Er1 Er+3 0.5 0.5 0.5 1 0.0
O1 O-2 0 0 0.1594 1 0.0
Cu1 Cu+1 0 0 0 1 0.0
