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#$Date: 2020-09-24 18:08:06 +0300 (Thu, 24 Sep 2020) $
#$Revision: 256729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/88/1548806.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_1548806
loop_
_publ_author_name
'Al-Alamy, F. A. S.'
'Balchin, A. A.'
'White, M.'
_publ_section_title
;
 The expansivities and the thermal degradation of some layer compounds
;
_journal_coden_ASTM              JMTSAS
_journal_issue                   10
_journal_name_full               'Journal of Materials Science'
_journal_page_first              2037
_journal_page_last               2042
_journal_paper_doi               10.1007/bf00561976
_journal_volume                  12
_journal_year                    1977
_chemical_formula_structural     'Sn Se2'
_chemical_formula_sum            'Se2 Sn'
_chemical_name_systematic        'Tin Selenide'
_space_group_IT_number           164
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   3.807(1)
_cell_length_b                   3.807(1)
_cell_length_c                   6.128(1)
_cell_volume                     76.92(3)
_cod_data_source_file            SnSe2_P_3m_Al-Alami_DC293.cif
_cod_data_source_block           chateigner
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2020-09-24
;
_cod_original_cell_volume        76.92
_cod_original_formula_sum        'Se2 Sn1'
_cod_database_code               1548806
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x-y, -y, -z'
2 '-x, -x+y, -z'
3 'y, x, -z'
4 'x-y, x, -z'
5 'y, -x+y, -z'
6 '-x, -y, -z'
7 '-x+y, y, z'
8 'x, x-y, z'
9 '-y, -x, z'
10 '-x+y, -x, z'
11 '-y, x-y, z'
12 'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Sn1 Sn4+ 1 a 0 0 0 1. 0 0
Se1 Se2- 2 d 0.3333 0.6667 0.249 1. 0 0
loop_
_atom_type_symbol
_atom_type_oxidation_number
Se2- -2
Sn4+ 4
