#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/82/9008296.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008296
loop_
_publ_author_name
'Schnering, H. G.'
'Wiedemeier, H.'
_publ_section_title
;
 The high temperature structure of beta-SnS and beta-SnSe
 and the B16-to-B33 type gamma-transition path
 Sample: T = 825 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              143
_journal_page_last               150
_journal_volume                  156
_journal_year                    1981
_chemical_formula_structural     SnSe
_chemical_formula_sum            'Se Sn'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.310
_cell_length_b                   11.705
_cell_length_c                   4.318
_cell_formula_units_Z            4
_cell_volume                     217.837
_database_code_amcsd             0010838
_diffrn_ambient_temperature      825
_exptl_crystal_density_diffrn    6.027
_cod_original_formula_sum        'Sn Se'
_cod_database_code               9008296
_amcsd_formula_title             SnSe
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn 0.00000 0.12000 0.25000
Se 0.00000 0.35600 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010838
