#------------------------------------------------------------------------------
#$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532860.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_1532860
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            'Ba0.076 Ca0.074 Cu La1.8 Nd0.05 O4'
_chemical_name_systematic        '(La0.9 Nd0.025 Ca0.037 Ba0.038)2 Cu O4'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-A 2ab 2ab'
_symmetry_space_group_name_H-M   'A b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.36154
_cell_length_b                   5.32617
_cell_length_c                   13.1752
_cell_volume                     376.237
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            McAllister_PRBMDO_2002_14.cif
_cod_data_source_block           Ba0.076Ca0.074Cu1La1.8Nd0.05O4
_cod_original_cell_volume        376.2372
_cod_original_sg_symbol_Hall     '-C 2ac 2 (z,x,y)'
_cod_original_formula_sum        'Ba0.076 Ca0.074 Cu1 La1.8 Nd0.05 O4'
_cod_database_code               1532860
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x,y,-z
-x+1/2,-y+1/2,z
-x,-y,-z
-x-1/2,y-1/2,z
x,-y,z
x-1/2,y-1/2,-z
x,y+1/2,z+1/2
x+1/2,-y+1,-z+1/2
-x,y+1/2,-z+1/2
-x+1/2,-y+1,z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y,z+1/2
x,-y+1/2,z+1/2
x-1/2,y,-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
La1 La+3 0.0065 0 0.36066 0.9 0.0
Ba1 Ba+2 0.0065 0 0.36066 0.038 0.0
O2 O-2 -0.0275 0 0.18263 1 0.0
O1 O-2 0.25 0.25 0.0059 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Nd1 Nd+3 0.0065 0 0.36066 0.025 0.0
Ca1 Ca+2 0.0065 0 0.36066 0.037 0.0