#------------------------------------------------------------------------------
#$Date: 2018-03-11 23:03:38 +0200 (Sun, 11 Mar 2018) $
#$Revision: 206901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/14/1521465.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_1521465
loop_
_publ_author_name
'Kulkarni, R. G.'
'Subbarao, M. V.'
_publ_section_title
;
 X-ray structural studies of the superconducting
 La~3.5-x-y~NdyCa₂ₓBa~3.5-x~Cu₇Oz
;
_journal_coden_ASTM              SUSTEF
_journal_issue                   3
_journal_name_full               'Superconductor Science and Technology'
_journal_page_first              172
_journal_page_last               176
_journal_paper_doi               10.1088/0953-2048/12/3/012
_journal_volume                  12
_journal_year                    1999
_chemical_formula_sum            'Ba1.33 Ca0.34 Cu3 La1.16 Nd0.17 O7.078'
_chemical_name_systematic
;
(Ba1.33 La0.64 Ca0.03) (La0.52 Nd0.17 Ca0.31) Cu3 O7.078
;
_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                   3.8734
_cell_length_b                   3.8734
_cell_length_c                   11.6232
_cell_volume                     174.386
_cod_data_source_file            Kulkarni_SUSTEF_1999_769.cif
_cod_data_source_block           Ba1.33Ca0.34Cu3La1.16Nd0.17O7.078
_cod_original_cell_volume        174.3855
_cod_database_code               1521465
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
O1 O-2 0 0.5 0 0.539 0.0
La2 La+3 0.5 0.5 0.5 0.52 0.0
Ba1 Ba+2 0.5 0.5 0.1807 0.665 0.0
Cu1 Cu+2 0 0 0 1 0.0
Ca1 Ca+2 0.5 0.5 0.1807 0.015 0.0
Cu2 Cu+2 0 0 0.3479 1 0.0
Ca2 Ca+2 0.5 0.5 0.5 0.31 0.0
O2 O-2 0 0 0.1475 1 0.0
O3 O-2 0 0.5 0.3905 1 0.0
La1 La+3 0.5 0.5 0.1807 0.32 0.0
Nd1 Nd+3 0.5 0.5 0.5 0.17 0.0
