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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/59/9015982.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015982
loop_
_publ_author_name
'Rial, C.'
'Moran, E.'
'Alario-Franco M'
'Amador, U.'
'Martinez, J.'
'Rodriguez-Carvajal J'
'Andersen, N.'
_publ_section_title
;
 Effects of extra oxygen on the structure and superconductivity of
 La2-xCaxCuO4+y prepared by chemical oxidation
 _cod_database_code 1006188
;
_journal_name_full               'Physica C'
_journal_page_first              277
_journal_page_last               293
_journal_volume                  297
_journal_year                    1998
_chemical_formula_sum            'Ca0.03 Cu La1.97 O4.1'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3299
_cell_length_b                   5.3870
_cell_length_c                   13.1614
_cell_volume                     377.892
_database_code_amcsd             0015097
_exptl_crystal_density_diffrn    7.101
_cod_original_formula_sum        '(La1.97 Ca.03) Cu O4.1'
_cod_database_code               9015982
_amcsd_formula_title             'Ca0.03 Cu La1.97 O4.12'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,y,1/2+z
x,1/2+y,1/2-z
1/2+x,1/2+y,-z
-x,1/2-y,1/2+z
1/2-x,1/2-y,+z
-x,y,z
1/2-x,y,1/2+z
x,-y,-z
1/2+x,-y,1/2-z
x,1/2-y,1/2+z
1/2+x,1/2-y,+z
-x,1/2+y,1/2-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 0.00000 -0.00070 0.36090 0.98500
Ca1 0.00000 -0.00070 0.36090 0.01500
Cu1 0.00000 0.00000 0.00000 1.00000
O1 0.25000 0.25000 0.00500 1.01000
O2 0.00000 -0.02800 0.18240 0.84500
O3 0.05800 0.07100 0.18300 0.07750
O4 0.25000 0.25000 0.22500 0.05000