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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/1/52/65/1526550.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_1526550
loop_
_publ_author_name
'Karpinski, J.'
'Kazakov, S.M.'
'Angst, M.'
'Mironov, A.'
'Mali, M.'
'Roos, J.'
_publ_section_title
;
 Influence of Sr substitution on the structure, charge distribution,and
 critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              945181
_journal_page_last               9451812
_journal_volume                  64
_journal_year                    2001
_chemical_formula_sum            'Ba1.78 Cu4 O8 Sr0.22 Y'
_chemical_name_systematic        'Y (Ba0.89 Sr0.11)2 Cu4 O8'
_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                   3.8299
_cell_length_b                   3.8676
_cell_length_c                   27.1707
_cell_volume                     402.467
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Karpinski_PRBMDO_2001_1904.cif
_cod_data_source_block           Ba1.78Cu4O8Sr0.22Y1
_cod_original_cell_volume        402.4666
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_original_formula_sum        'Ba1.78 Cu4 O8 Sr0.22 Y1'
_cod_database_code               1526550
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
O4 O-2 0 0.5 0.21793 1 0.0
Sr1 Sr+2 0.5 0.5 0.134936 0.11 0.0
Ba1 Ba+2 0.5 0.5 0.134936 0.89 0.0
O2 O-2 0.5 0 0.0524 1 0.0
O3 O-2 0 0.5 0.05253 1 0.0
Cu1 Cu+2 0 0 0.212926 1 0.0
O1 O-2 0 0 0.14523 1 0.0
Cu2 Cu+2 0 0 0.061796 1 0.0
Y1 Y+3 0.5 0.5 0 1 0.0
