#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/71/1537121.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_1537121
loop_
_publ_author_name
'Zhurova, E.A.'
'Zavodnik, V.E.'
'Ivanov, S.A.'
'Syrnikov, P.P.'
'Tsirel'son, V.G.'
_publ_section_title
;
 Electron density and anharmonic thermal motion of atoms in perovskites
 K1-xLixTaO3 (x=0,0.05,0.15).
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              2406
_journal_page_last               2412
_journal_volume                  37
_journal_year                    1992
_chemical_formula_sum            'K0.85 Li0.15 O3 Ta'
_chemical_name_systematic        'K0.85 Li0.15 Ta O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9857
_cell_length_b                   3.9857
_cell_length_c                   3.9857
_cell_volume                     63.316
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Zhurova_ZNOKAQ_1992_1336.cif
_cod_data_source_block           K0.85Li0.15O3Ta1
_cod_original_cell_volume        63.31605
_cod_original_formula_sum        'K0.85 Li0.15 O3 Ta1'
_cod_database_code               1537121
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
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
Ta1 Ta+5 0 0 0 1 0.0
O1 O-2 0.5 0 0 1 0.0
Li1 Li+1 0.5 0.09 0.5 0.0045 0.0
K1 K+1 0.5 0.5 0.5 0.924 0.0
