#------------------------------------------------------------------------------
#$Date: 2015-07-12 19:42:11 +0200 (Sun, 12 Jul 2015) $
#$Revision: 147948 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/67/1526707.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_1526707
loop_
_publ_author_name
'Subbarao, M.V.'
'Kundaliya, D.C.'
'Kulkarni, R.G.'
'Malik, S.K.'
'Yelon, W.B.'
_publ_section_title
;
 Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7
 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction
;
_journal_name_full               'Journal of Superconductivity'
_journal_page_first              397
_journal_page_last               403
_journal_volume                  14
_journal_year                    2001
_chemical_formula_sum
'Ba1.286 Ca0.429 Cu2.764 Fe0.236 La1.071 O7.24 Y0.214'
_chemical_name_systematic
;
(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.764 Fe0.236) O7.24
;
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8707
_cell_length_b                   3.8707
_cell_length_c                   11.6225
_cell_volume                     174.132
_citation_journal_id_ASTM        JOUSEH
_cod_data_source_file            Subbarao_JOUSEH_2001_1430.cif
_cod_data_source_block           Ba1.286Ca0.429Cu2.764Fe0.236La1.071O7.24Y0.214
_cod_database_code               1526707
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
O2 O-2 0.5 0 0.36919 1 0.0
La1 La+3 0.5 0.5 0.5 0.3574 0.0
O1 O-2 0.0864 0.5 0 0.31 0.0
Cu1 Cu+2 0 0 0 1 0.0
La2 La+3 0.5 0.5 0.1871 0.357 0.0
Ba1 Ba+2 0.5 0.5 0.1871 0.643 0.0
O3 O-2 0 0 0.15819 1 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.4286 0.0
Y1 Y+3 0.5 0.5 0.5 0.214 0.0
Fe1 Fe+3 0 0 0.35242 0.118 0.0
Cu2 Cu+2 0 0 0.35242 0.882 0.0
