#------------------------------------------------------------------------------
#$Date: 2015-10-21 20:49:26 +0300 (Wed, 21 Oct 2015) $
#$Revision: 169598 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/43/4344388.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_4344388
loop_
_publ_author_name
'Kumada, N.'
'Hosoda, S.'
'Kinomura, N.'
'Muto, F.'
_publ_section_title
;
 A new lithium insertion compound, (Li, Cu) Ta O3, with the Li Nb O3 type
 structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3592
_journal_page_last               3595
_journal_volume                  28
_journal_year                    1989
_chemical_formula_sum            'Cu0.8 Li1.2 O6 Ta2'
_chemical_name_systematic        '(Li1.2 Cu.8) Ta2 O6'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.176
_cell_length_b                   5.176
_cell_length_c                   13.81
_cell_volume                     320.415
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Kumada_INOCAJ_1989_839.cif
_cod_data_source_block           Cu0.8Li1.2O6Ta2
_cod_database_code               4344388
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
Li1 Li+1 0 0 0.292 0.6 0.0
Cu1 Cu+1 0 0 0.292 0.4 0.0
O1 O-2 0.071 0.354 0.076 1 0.0
Ta1 Ta+5 0 0 0 1 0.0
