#------------------------------------------------------------------------------
#$Date: 2015-07-10 15:43:07 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142450 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/22/1522229.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_1522229
loop_
_publ_author_name
'Wu, X.S.'
'Gao, J.'
_publ_section_title
;
 Structure and transport properties in calcium-doped Y Ba1.8 Nd0.2 Cu3 Oy
 cuprates
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              49
_journal_page_last               57
_journal_volume                  313
_journal_year                    1999
_chemical_formula_sum            'Ba1.8 Ca0.05 Cu3 Nd0.2 O7 Y0.95'
_chemical_name_systematic        '(Y0.95 Ca0.05) (Ba1.8 Nd0.2) Cu3 O7'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8842
_cell_length_b                   3.8273
_cell_length_c                   11.6716
_cell_volume                     173.510
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Wu_PHYCE6_1999_595.cif
_cod_data_source_block           Ba1.8Ca0.05Cu3Nd0.2O7Y0.95
_cod_original_cell_volume        173.51
_cod_database_code               1522229
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
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
O5 O-2 0 0.5 0.3763 1 0.0
Cu2 Cu+2 0 0 0.3542 1 0.0
Y1 Y+3 0.5 0.5 0.5 0.95 0.0
Cu1 Cu+2 0 0 0 1 0.0
O4 O-2 0.5 0 0.3706 1 0.0
O2 O-2 0 0.5 0 0.5 0.0
O1 O-2 0.5 0 0 0.5 0.0
Ba1 Ba+2 0.5 0.5 0.1844 0.9 0.0
Ca1 Ca+2 0.5 0.5 0.5 0.05 0.0
O3 O-2 0 0 0.1606 1 0.0
Nd1 Nd+3 0.5 0.5 0.1844 0.1 0.0
