#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/11/4031190.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_4031190
loop_
_publ_author_name
'Panson, A.J.'
'Johnston, W.D.'
_publ_section_title
;
 A study of substituted MnTe
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              705
_journal_page_last               710
_journal_volume                  26
_journal_year                    1964
_chemical_formula_sum            'Li0.09 Mn0.91 Te'
_chemical_name_systematic        '(Li0.09 Mn0.91) Te'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.133
_cell_length_b                   4.133
_cell_length_c                   6.699
_cell_volume                     99.099
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Panson_JINCAO_1964_980.cif
_cod_data_source_block           Li0.09Mn0.91Te1
_cod_original_cell_volume        99.09948
_cod_original_formula_sum        'Li0.09 Mn0.91 Te1'
_cod_database_code               4031190
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
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
Te1 Te-2 0.3333 0.6667 0.25 1 0.0
Mn1 Mn+2 0 0 0 0.91 0.0
Li1 Li+1 0 0 0 0.09 0.0
