#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/05/1510589.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_1510589
loop_
_publ_author_name
'Waszczak, J.V.'
'Siegrist, T.'
'Schneemeyer, L.F.'
'van Dover, R.B.'
_publ_section_title
;
 Structural effects of impurities in Ba4 Er2 Cu7 O15-d: incorporation of
 Au and of Al
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              228
_journal_page_last               232
_journal_volume                  150
_journal_year                    2000
_chemical_formula_sum            'Au0.16 Ba4 Cu6.84 Er2 O15'
_chemical_name_systematic        'Ba4 Er2 Cu6.84 Au0.16 O15'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.837
_cell_length_b                   3.875
_cell_length_c                   50.492
_cell_volume                     750.734
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            gold_7.cif
_cod_data_source_block           Au0.16Ba4Cu6.84Er2O15
_cod_original_cell_volume        750.7339
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_database_code               1510589
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
x,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x,y+1/2,-z+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
O3 O-2 0 0.5 0.0859 1 0.0
Cu4 Cu+2 0 0 0.22999 1 0.0
O4 O-2 0.5 0 0.1445 1 0.0
Er1 Er+3 0.5 0.5 0.11585 1 0.0
O8 O-2 0 0.5 0 0.85 0.0
Ba1 Ba+2 0.5 0.5 0.04355 1 0.0
Cu1 Cu+2 0 0 0 0.84 0.0
O7 O-2 0 0.5 0.2321 1 0.0
O9 O-2 0.5 0 0 0.15 0.0
Ba2 Ba+2 0.5 0.5 0.18805 1 0.0
Cu3 Cu+2 0 0 0.14894 1 0.0
O6 O-2 0 0 0.194 1 0.0
Au1 Au+3 0 0 0 0.16 0.0
O5 O-2 0 0.5 0.1446 1 0.0
O2 O-2 0.5 0 0.0844 1 0.0
O1 O-2 0 0 0.0363 1 0.0
Cu2 Cu+2 0 0 0.08336 1 0.0
