#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/44/8104445.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_8104445
loop_
_publ_author_name
'Somer, M.'
'Peters, K.'
'von Schnering, H.G.'
_publ_section_title
;
 Crystal structure of cesium antimonide triantimonidoaluminate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              316
_journal_page_last               317
_journal_volume                  195
_journal_year                    1991
_chemical_formula_sum            'Al Cs6 K3 Sb4'
_chemical_name_systematic        'K3 Cs6 Sb (Al Sb3)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.0169
_cell_length_b                   11.0169
_cell_length_c                   11.5885
_cell_volume                     1218.082
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1991_1442.cif
_cod_data_source_block           Al1Cs6K3Sb4
_cod_original_formula_sum        'Al1 Cs6 K3 Sb4'
_cod_database_code               8104445
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,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 0.11833 0.23666 0.25 1 0.0
Al1 Al+3 0.3333 0.6667 0.25 1 0.0
Sb1 Sb-3 0.47243 0.52757 0.25 1 0.0
Cs1 Cs+1 0.20946 0.41892 0.54316 1 0.0
Sb2 Sb-3 0 0 0 1 0.0
