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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002226.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_4002226
loop_
_publ_author_name
'Chen, X.'
'Zhang, L.-D.'
'Huang, X.-Y.'
'Fu, A.-H.'
'Li, J.'
'Guo, H.-Y.'
_publ_section_title
;
 From 1D chain to 3D network: syntheses, structures, and 1D properties of
 K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2385
_journal_page_last               2391
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'K2 Mn Se4 Sn'
_chemical_name_systematic        'K2 (Mn Sn Se4)'
_space_group_IT_number           118
_symmetry_space_group_name_Hall  'P -4 -2n'
_symmetry_space_group_name_H-M   'P -4 n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.574
_cell_length_b                   10.574
_cell_length_c                   8.301
_cell_volume                     928.130
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Chen_CMATEX_2000_1150.cif
_cod_data_source_block           K2Mn1Se4Sn1
_cod_original_cell_volume        928.1305
_cod_original_formula_sum        'K2 Mn1 Se4 Sn1'
_cod_database_code               4002226
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x+1/2,y+1/2,z+1/2
y+1/2,x+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2
-y+1/2,-x+1/2,-z+1/2
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
Mn2 Mn+2 0 0 0.5 1 0.0
Se2 Se-2 0.0675 0.2144 0.3908 1 0.0
K2 K+1 0 0.5 0.25 1 0.0
K1 K+1 0.2466 0.7466 0.25 1 0.0
Se1 Se-2 0.3026 0.0305 0.0709 1 0.0
Mn1 Mn+2 0.5 0 0.25 1 0.0
Sn1 Sn+4 0.278 0.222 0.25 1 0.0
K3 K+1 0 0 0 1 0.0
