#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002794.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_9002794
_chemical_name 'Vicanite-(Ce)'
loop_
_publ_author_name
'Ballirano P'
'Callegari A'
'Caucia F'
'Maras A'
'Mazzi F'
'Ungaretti L'
_journal_name_full "American Mineralogist"
_journal_volume 87
_journal_year 2002
_journal_page_first 1139
_journal_page_last 1143
_publ_section_title
;
 The crystal structure of vicanite - (Ce), a borosilicate showing an unusual
 (Si3B3O18) polyanion
;
_chemical_formula_sum 'Ce2.328 Ca8.01 La2.214 Th2.448 (Fe.823 Al.177) Si6 B4 As1
_cell_length_a 10.8112
_cell_length_b 10.8112
_cell_length_c 27.3296
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2766.379
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+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
CeM1  -0.13188   0.13188  -0.31881   0.75100   0.00960
CaM1  -0.13188   0.13188  -0.31881   0.24900   0.00960
LaM2  -0.13794   0.13794   0.09655   0.73800   0.01210
CaM2  -0.13794   0.13794   0.09655   0.26200   0.01210
CaM3   0.11490  -0.11490  -0.09790   0.99200   0.01490
CeM3   0.11490  -0.11490  -0.09790   0.00800   0.01490
CaM4   0.13025  -0.13025   0.46683   0.98300   0.01510
CeM4   0.13025  -0.13025   0.46683   0.01700   0.01510
ThM5   0.14125  -0.14125   0.21736   0.81600   0.00880
CaM5   0.14125  -0.14125   0.21736   0.18400   0.00880
Fe   0.00000   0.00000   0.00000   0.82300   0.00640
Al   0.00000   0.00000   0.00000   0.17700   0.00640
Si1   0.16920  -0.16920   0.04310   1.00000   0.00870
Si2  -0.17010   0.17010  -0.04040   1.00000   0.00840
B1  -0.07800   0.07800   0.29260   1.00000   0.00980
B2   0.00000   0.00000   0.14670   1.00000   0.01560
As1   0.00000   0.00000  -0.21070   0.77300   0.00880
P1   0.00000   0.00000  -0.21070   0.22700   0.00880
As2   0.00000   0.00000  -0.45760   0.41700   0.00740
Na   0.00000   0.00000  -0.42640   0.58300   0.02380
O1   0.08210  -0.08210   0.04520   1.00000   0.01110
O2   0.18670  -0.18670  -0.01490   1.00000   0.01200
O3   0.32330  -0.06800   0.06940   1.00000   0.01320
O4  -0.08370   0.08370  -0.04900   1.00000   0.01200
O5  -0.19260   0.19260   0.01700   1.00000   0.01240
O6  -0.32770   0.07830  -0.06430   1.00000   0.01510
O7   0.07610  -0.07610   0.30450   1.00000   0.00890
O8  -0.09510   0.09510   0.23890   1.00000   0.00960
O9   0.07280  -0.07280   0.14430   1.00000   0.01350
O10   0.00000   0.00000  -0.14910   1.00000   0.01610
O11   0.16050   0.04600  -0.23320   0.50000   0.01910
O12  -0.08120   0.08120  -0.49220   0.41700   0.01850
F12  -0.08120   0.08120  -0.49220   0.58300   0.01850
F13   0.00000   0.00000  -0.33660   1.00000   0.02580
F14   0.02120   0.30580  -0.16120   1.00000   0.02000
Wat   0.00000   0.00000   0.43500   0.21000   0.02000