#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/82/1538232.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_1538232
loop_
_publ_author_name
'Gr\/onvold, F.'
'Kveseth, N. J.'
'Tichy, J.'
'Dos Santos Marques, F.'
_publ_section_title
;
 Thermophysical properties of manganese monotelluride from 298 to 700 K.
 Lattice constants, magnetic susceptibility and antiferromagnetic
 transition
;
_journal_issue                   6
_journal_name_full               'The Journal of Chemical Thermodynamics'
_journal_page_first              795
_journal_page_last               806
_journal_paper_doi               10.1016/0021-9614(72)90001-8
_journal_volume                  4
_journal_year                    1972
_chemical_formula_sum            'Mn 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                   4.1429
_cell_length_b                   4.1429
_cell_length_c                   6.7076
_cell_volume                     99.703
_citation_journal_id_ASTM        JCTDAF
_cod_data_source_file            Gronvold_JCTDAF_1972_673.cif
_cod_data_source_block           Mn1Te1
_cod_original_cell_volume        99.70265
_cod_original_formula_sum        'Mn1 Te1'
_cod_database_code               1538232
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
Mn1 Mn+2 0 0 0 1 0.0
Te1 Te-2 0.3333 0.6667 0.25 1 0.0