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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/09/1540955.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_1540955
loop_
_publ_author_name
'Sheldrick, W.S.'
'Haeusler, H.J.'
_publ_section_title
;
 Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und
 Kristallstrukturen von M As Se2, M = K, Rb, Cs
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              139
_journal_page_last               148
_journal_volume                  561
_journal_year                    1988
_chemical_formula_sum            'As K Se2'
_chemical_name_systematic        'K (As Se2)'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                100.43
_cell_angle_beta                 107.53
_cell_angle_gamma                100.48
_cell_formula_units_Z            4
_cell_length_a                   6.558
_cell_length_b                   12.628
_cell_length_c                   6.554
_cell_volume                     492.567
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sheldrick_ZAACAB_1988_108.cif
_cod_data_source_block           As1K1Se2
_cod_original_cell_volume        492.5672
_cod_original_formula_sum        'As1 K1 Se2'
_cod_database_code               1540955
loop_
_symmetry_equiv_pos_as_xyz
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
K4 K+1 -0.1465 0.9978 0.4529 1 0.0
Se1 Se-2 0.686 0.2073 1.2284 1 0.0
Se4 Se-2 0.2623 0.2448 0.738 1 0.0
Se5 Se-2 0.6683 0.708 1.2484 1 0.0
K1 K+1 0.2123 0.2599 0.2261 1 0.0
As3 As+3 0.2884 0.6767 1.155 1 0.0
As4 As+3 0.3172 0.9426 1.017 1 0.0
Se7 Se-2 0 1 1 1 0.0
Se8 Se-2 0.1758 0.7448 0.8228 1 0.0
Se3 Se-2 0.4396 0.4998 0.5614 1 0.0
Se2 Se-2 0.3861 -0.0187 0.691 1 0.0
K2 K+1 -0.1098 0.4974 0.4143 1 0.0
As1 As+3 0.595 0.177 0.8503 1 0.0
Se6 Se-2 0.1298 0.4818 0.9492 1 0.0
As2 As+3 0.4556 0.4424 0.8774 1 0.0
K3 K+1 0.6634 0.7583 0.7714 1 0.0
