#------------------------------------------------------------------------------
#$Date: 2015-10-13 20:46:41 +0300 (Tue, 13 Oct 2015) $
#$Revision: 167615 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/89/1538904.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_1538904
loop_
_publ_author_name
'Omloo, W.P.F.A.M.'
'Jellinek, F.'
_publ_section_title
;
 Intercalation compounds of alkali metals with niobium and tantalum
 dichalcogenides
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              121
_journal_page_last               129
_journal_volume                  20
_journal_year                    1970
_chemical_formula_sum            'K1.332 Se3.996 Ta1.998'
_chemical_name_systematic        '(K2 Ta3 Se6)0.666'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.463
_cell_length_b                   3.463
_cell_length_c                   17.05
_cell_volume                     177.076
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Omloo_JCOMAH_1970_382.cif
_cod_data_source_block           K1.332Se3.996Ta1.998
_cod_original_cell_volume        177.0761
_cod_database_code               1538904
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
x,x-y,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
K2 K 0.6667 0.3333 0.5 0.67 0.0
K1 K 0.3333 0.6667 0 0.67 0.0
Se2 Se 0 0 0.348 1 0.0
Ta1 Ta 0.3333 0.6667 0.25 1 0.0
Se1 Se 0 0 0.152 1 0.0
