#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011235.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_1011235
loop_
_publ_author_name
'Vegard, L'
'Maurstad, A'
_publ_section_title
;
Die Kristallstruktur der wasserfreien Alaune R'R''' (S O4)2
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               24
_journal_volume                  1928
_journal_year                    1928
_chemical_formula_structural     'K Al (S O4)2'
_chemical_formula_sum            'Al K O8 S2'
_chemical_name_mineral           Steklite
_chemical_name_systematic        'Potassium aluminium sulfate(VI)'
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.706
_cell_length_b                   4.706
_cell_length_c                   7.96
_cell_volume                     152.7
_exptl_crystal_density_meas      2.67
_cod_database_code               1011235
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,-z
-x,y-x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
K1 K1+ 1 a 0. 0. 0. 1. 0 d
Al1 Al3+ 1 b 0. 0. 0.5 1. 0 d
S1 S6+ 2 d 0.3333 0.6667 0.222 1. 0 d
O1 O2- 2 d 0.3333 0.6667 0.016 1. 0 d
O2 O2- 6 g 0.328 0.344 0.317 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Al3+ 3.000
S6+ 6.000
O2- -2.000