#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/72/1537259.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_1537259
loop_
_publ_author_name
'von Schnering, H.G.'
'Somer, M.'
'Kliche, G.'
'Hoenle, W.'
'Meyer, T.'
'Kempa, P.B.'
'Wolf, J.'
'Ohse, L.'
_publ_section_title
;
 Darstellung, Eigenschaften und Schwingungsspektren der Kaefiganionen
 P11(3-) und As11(3-)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              13
_journal_page_last               30
_journal_volume                  601
_journal_year                    1991
_chemical_formula_sum            'As11 K3'
_chemical_name_systematic        'K3 As11'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2bc 2n'
_symmetry_space_group_name_H-M   'P n a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.596
_cell_length_b                   14.525
_cell_length_c                   10.914
_cell_volume                     1679.740
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1991_61.cif
_cod_data_source_block           As11K3
_cod_original_cell_volume        1679.74
_cod_original_sg_symbol_Hall     '-P 2n 2ab (z,y,-x)'
_cod_database_code               1537259
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y,-z
-x,-y,-z
-x-1/2,y-1/2,z-1/2
x,y-1/2,-z-1/2
x-1/2,-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
As5 As 0.513 0.361 0.546 1 0.0
K1 K+1 0.092 0.001 0.251 1 0.0
As3 As 0.404 0.135 0.434 1 0.0
As4 As 0.333 0.397 0.423 1 0.0
As1 As 0.285 0.249 0.318 1 0.0
As6 As 0.25 0.474 0 1 0.0
As2 As 0.064 0.219 0.376 1 0.0
K2 K+1 0.25 0.293 0 1 0.0
