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#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532864.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_1532864
loop_
_publ_author_name
'McAllister, J.'
'Attfield, J.P.'
_publ_section_title
;
 Cation size control of structure, structural fluctuations and
 superconductivity in L1.85 M0.15 Cu O4
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              014514-1
_journal_page_last               014514-10
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Ba0.136 Cu La1.776 Nd0.074 O4 Sr0.014'
_chemical_name_systematic        '(La0.888 Nd0.037 Sr0.007 Ba0.068)2 Cu O4'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.35043
_cell_length_b                   5.34393
_cell_length_c                   13.2246
_cell_volume                     378.122
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            McAllister_PRBMDO_2002_19.cif
_cod_data_source_block           Ba0.136Cu1La1.776Nd0.074O4Sr0.014
_cod_original_formula_sum        'Ba0.136 Cu1 La1.776 Nd0.074 O4 Sr0.014'
_cod_database_code               1532864
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,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 0.0226 0.487 0.31801 1 0.0
O2 O-2 0.25 0.75 0.0013 1 0.0
La1 La+3 0.0057 0.0021 0.36074 0.888 0.0
Nd1 Nd+3 0.0057 0.0021 0.36074 0.037 0.0
Sr1 Sr+2 0.0057 0.0021 0.36074 0.007 0.0
Ba1 Ba+2 0.0057 0.0021 0.36074 0.068 0.0
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0.25 0.25 0.008 1 0.0