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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009491.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_9009491
_chemical_name 'Chayesite'
loop_
_publ_author_name
'Alietti E'
'Brigatti M F'
'Capedri S'
'Poppi L'
_journal_name_full "Mineralogical Magazine"
_journal_volume 58
_journal_year 1994
_journal_page_first 655
_journal_page_last 662
_publ_section_title
;
 The roedderite-chayesite series from Spanish lamproites:
 crystal chemical characterization
 Locality: Cancarix, Albacete province, Spain
;
_chemical_formula_sum 'K.9 Na.2 (Mg4.15 Fe.85) Si12 O30'
_cell_length_a 10.118
_cell_length_b 10.118
_cell_length_c 14.300
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1267.815
_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
KC   0.00000   0.00000   0.25000   0.90000   0.02584
NaC   0.00000   0.00000   0.25000   0.10000   0.02584
NaB   0.33333   0.66667   0.00000   0.05000   0.01520
MgA   0.33333   0.66667   0.25000   0.83000   0.02305
Fe3+A   0.33333   0.66667   0.25000   0.17000   0.02305
MgT2   0.50000   0.50000   0.25000   0.83000   0.01089
Fe3+T2   0.50000   0.50000   0.25000   0.17000   0.01089
SiT1   0.23840   0.35292   0.39072   1.00000   0.01165
O1   0.12980   0.39480   0.00000   1.00000   0.02229
O2   0.21950   0.27760   0.13320   1.00000   0.02001
O3   0.15450   0.49640   0.17250   1.00000   0.01583