#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009971.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_9009971
_chemical_name 'K3Mg4LiSi12O30'
loop_
_publ_author_name
'Nguyen N'
'Choisnet J'
'Raveau B'
_journal_name_full "Journal of Solid State Chemistry"
_journal_volume 34
_journal_year 1980
_journal_page_first 1
_journal_page_last 9
_publ_section_title
;
 Silicates synthetiques a structure milarite
 Locality: synthetic
;
_chemical_formula_sum 'K3 Mg4 Li Si12 O30'
_cell_length_a 10.253
_cell_length_b 10.253
_cell_length_c 14.04
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1278.203
_symmetry_space_group_name_H-M 'P 6/m c c'
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_Uiso_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