#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528241.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_1528241
loop_
_publ_author_name
'Zandbergen, H.W.'
_publ_section_title
;
 Neutron powder diffraction and magnetic measurements on Cs Mn I3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              367
_journal_page_last               375
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Cs I3 Mn'
_chemical_name_systematic        'Cs Mn I3'
_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                   8.19
_cell_length_b                   8.19
_cell_length_c                   6.958
_cell_volume                     404.187
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Zandbergen_JSSCBI_1980_1754.cif
_cod_data_source_block           Cs1I3Mn1
_cod_original_cell_volume        404.1874
_cod_original_formula_sum        'Cs1 I3 Mn1'
_cod_database_code               1528241
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
Cs1 Cs+1 0.3333 0.6667 0.75 1 0.0
I1 I-1 0.1653 -0.1653 0.25 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
