#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/66/1526622.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_1526622
loop_
_publ_author_name
'Kim, J.'
'Hughbanks, T.'
_publ_section_title
;
 Direct and indirect preparation of layered quaternary manganese
 tellurides; A Mnx My Te2 (A= Li, Na; M= Cu, Ag; x+y<= 2)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              116
_journal_page_last               120
_journal_volume                  327
_journal_year                    2001
_chemical_formula_sum            'Cu0.19 Li Mn0.98 Te2'
_chemical_name_systematic        'Li Mn0.98 Cu0.19 Te2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.478
_cell_length_b                   4.478
_cell_length_c                   7.17
_cell_volume                     124.514
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Kim_JALCEU_2001_1323.cif
_cod_data_source_block           Cu0.19Li1Mn0.98Te2
_cod_original_cell_volume        124.5139
_cod_original_formula_sum        'Cu0.19 Li1 Mn0.98 Te2'
_cod_database_code               1526622
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
Mn1 Mn+2 0.6667 0.3333 0.6255 0.49 0.0
Te1 Te-2 0.6667 0.3333 0.2414 1 0.0
Cu1 Cu+1 0.6667 0.3333 0.6255 0.095 0.0
Li1 Li+1 0 0 0 1 0.0
