#------------------------------------------------------------------------------
#$Date: 2012-02-28 16:44:07 +0100 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/99/9009971.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_9009971
loop_
_publ_author_name
'Nguyen, N.'
'Choisnet, J.'
'Raveau, B.'
_publ_section_title
;
 Silicates synthetiques a structure milarite
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_volume                  34
_journal_year                    1980
_chemical_formula_sum            'K3 Li Mg4 O30 Si12'
_chemical_name_mineral           K3Mg4LiSi12O30
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.253
_cell_length_b                   10.253
_cell_length_c                   14.04
_cell_volume                     1278.202
_exptl_crystal_density_diffrn    2.698
_[local]_cod_chemical_formula_sum_orig 'K3 Mg4 Li Si12 O30'
_cod_original_cell_volume        1278.203
_cod_database_code               9009971
_amcsd_database_code             AMCSD#0013553
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,-z
x-y,x,z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,-z
-x,-y,z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,-z
y,-x+y,z
-x+y,y,1/2+z
x-y,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
KA1 0.00000 0.00000 0.25000 1.00000 0.00760
KA2 0.33333 0.66667 0.00000 1.00000 0.00507
MgM1 0.33333 0.66667 0.25000 1.00000 0.02026
MgM2 0.50000 0.00000 0.25000 0.66670 0.01013
LiM2 0.50000 0.00000 0.25000 0.33330 0.01013
Si 0.76700 0.10900 0.11200 1.00000 0.01140
O1 0.74300 0.11800 0.00000 1.00000 0.00887
O2 0.94200 0.20900 0.14000 1.00000 0.00760
O3 0.65900 0.15500 0.16900 1.00000 0.00887