#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/72/1537255.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_1537255
loop_
_publ_author_name
'von Schnering, H.G.'
'Kliche, G.'
'Somer, M.'
'Ohse, L.'
'Kempa, P.B.'
'Wolf, J.'
'Meyer, T.'
'Hoenle, W.'
_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            'K3 P11'
_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                   10.315
_cell_length_b                   13.94
_cell_length_c                   10.45
_cell_volume                     1502.617
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1991_60.cif
_cod_data_source_block           K3P11
_cod_original_sg_symbol_Hall     '-P 2n 2ab (z,y,-x)'
_cod_database_code               1537255
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
K1 K+1 0.07 0.004 0.239 1 0.0
P3 P 0.384 0.125 0.42 1 0.0
P4 P 0.316 0.372 0.418 1 0.0
P6 P 0.25 0.478 0 1 0.0
P2 P 0.064 0.205 0.404 1 0.0
K2 K+1 0.25 0.291 0 1 0.0
P5 P 0.497 0.342 0.519 1 0.0
P1 P 0.262 0.234 0.319 1 0.0
