#------------------------------------------------------------------------------
#$Date: 2024-05-06 08:39:41 +0100 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/97/9009725.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009725
loop_
_publ_author_name
'Andou, Y.'
'Kawahara, A.'
_publ_section_title
;
 The refinement of the structure of synthetic kalsilite
 Locality: synthetic
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              153
_journal_page_last               161
_journal_paper_doi               10.2465/minerj.12.153
_journal_volume                  12
_journal_year                    1984
_chemical_formula_sum            'Al K O6 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.151
_cell_length_b                   5.151
_cell_length_c                   8.690
_cell_formula_units_Z            2
_cell_volume                     199.680
_exptl_crystal_density_diffrn    3.163
_cod_original_cell_volume        199.679
_cod_original_formula_sum        'K Al Si O6'
_cod_database_code               9009725
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,1/2+z
-y,x-y,z
-x,-y,1/2+z
-x+y,-x,z
y,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 0.00000 0.00000 0.25000 0.01583
Al 0.33333 0.66667 0.05400 0.00937
Si 0.33333 0.66667 0.43600 0.00570
O1 0.61000 0.00500 0.99300 0.01773
O2 0.35000 0.71300 0.25200 0.01267