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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533543.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_1533543
loop_
_publ_author_name
'Sivakumar, T.'
'Lofland, S.E.'
'Ramanujachary, K.V.'
'Ramesha, K.'
'Subbanna, G.N.'
'Gopalakrishnan, J.'
_publ_section_title
;
 Transforming n=1 members of the Ruddlesden-Popper phases to a n=3 member
 through metathesis: synthesis of a new layered perovskite, Ca2 La2 Cu Ti2
 O10
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2635
_journal_page_last               2638
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ca2 Cu La2 O10 Ti2'
_chemical_name_systematic        'Ca2 La2 (Cu Ti2 O10)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8837
_cell_length_b                   3.8837
_cell_length_c                   27.727
_cell_volume                     418.210
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Sivakumar_JSSCBI_2004_1798.cif
_cod_data_source_block           Ca2Cu1La2O10Ti2
_cod_original_cell_volume        418.2098
_cod_original_formula_sum        'Ca2 Cu1 La2 O10 Ti2'
_cod_database_code               1533543
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
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
La2 La+3 0 0 0.4267 0.55 0.0
O3 O-2 0 0.5 0.163 1 0.0
O1 O-2 0 0.5 0 1 0.0
La1 La+3 0 0 0.2906 0.45 0.0
Cu1 Cu+2 0 0 0 1 0.0
Ti1 Ti+4 0 0 0.1454 1 0.0
Ca2 Ca+2 0 0 0.4267 0.45 0.0
Ca1 Ca+2 0 0 0.2906 0.55 0.0
O4 O-2 0 0 0.228 1 0.0
O2 O-2 0 0 0.087 1 0.0
