#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002511.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_4002511
loop_
_publ_author_name
'Kim, S.Y.'
'Oh, J.-M.'
'Byeon, S.H.'
'Park, J.-C.'
_publ_section_title
;
 Structure of new layered oxides M(II)0.5 La Ti O4 (M = Co, Cu and Zn)
 synthesized by the ion-exchange reaction
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1643
_journal_page_last               1648
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'La O4 Ti Zn0.5'
_chemical_name_systematic        'Zn0.5 La Ti O4'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.7234
_cell_length_b                   3.7234
_cell_length_c                   12.7488
_cell_volume                     176.746
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Kim_CMATEX_2002_229.cif
_cod_data_source_block           La1O4Ti1Zn0.5
_cod_original_cell_volume        176.7457
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'La1 O4 Ti1 Zn0.5'
_cod_database_code               4002511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+1/2,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
O2 O-2 0 0.5 0.5757 1 0.0
Ti1 Ti+4 0 0.5 0.7877 1 0.0
La1 La+3 0 0.5 0.3845 1 0.0
O1 O-2 0 0 0.2513 1 0.0
Zn1 Zn+2 0 0 0 0.5 0.0
O3 O-2 0 0.5 0.9301 1 0.0
