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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/12/7221206.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_7221206
loop_
_publ_author_name
'Dittmar, G.'
'Schaefer, H.'
_publ_section_title
;
 Zur Darstellung und Struktur von K Sb Se2
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              1346
_journal_page_last               1348
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'K Sb Se2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.16
_cell_angle_beta                 99.25
_cell_angle_gamma                99.44
_cell_formula_units_Z            4
_cell_length_a                   12.481
_cell_length_b                   6.445
_cell_length_c                   6.45
_cell_volume                     487.659
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Dittmar_ZENBAX_1977_183.cif
_cod_data_source_block           K1Sb1Se2
_cod_original_cell_volume        487.6589
_cod_original_formula_sum        'K1 Sb1 Se2'
_cod_database_code               7221206
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
K1 K+1 0.4132 0.0841 0.2736 1 0.0
Sb1 Sb+3 0.6512 0.5792 0.1955 1 0.0
K2 K+1 0.1536 0.5637 0.3241 1 0.0
Sb2 Sb+3 0.914 0.0088 0.2241 1 0.0
Se4 Se-2 0.8792 0.6036 0.2157 1 0.0
Se2 Se-2 0.1354 0.0242 0.1827 1 0.0
Se3 Se-2 0.6762 0.9909 0.2526 1 0.0
Se1 Se-2 0.4057 0.5631 0.2142 1 0.0
