#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004260.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_9004260
_chemical_name 'Stillwellite-(Ce)'
loop_
_publ_author_name
'Burns P C'
'Hawthorne F C'
'MacDonald D J'
'Ventura G D'
'Parodi G'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 31
_journal_year 1993
_journal_page_first 147
_journal_page_last 152
_publ_section_title
;
 The crystal structure of stillwellite
;
_chemical_formula_sum 'Ce.49 La.35 Nd.07 Th.05 Pr.03 Ca.01 Sm.01 Si B O6'
_cell_length_a 6.841
_cell_length_b 6.841
_cell_length_c 6.702
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 271.628
_symmetry_space_group_name_H-M 'P 31'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  '-x+y,-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
Ce   0.41184  -0.00016   0.00000   0.49000   0.00420
La   0.41184  -0.00016   0.00000   0.35000   0.00420
Nd   0.41184  -0.00016   0.00000   0.07000   0.00420
Th   0.41184  -0.00016   0.00000   0.05000   0.00420
Pr   0.41184  -0.00016   0.00000   0.03000   0.00420
Ca   0.41184  -0.00016   0.00000   0.01000   0.00420
Sm   0.41184  -0.00016   0.00000   0.01000   0.00420
Si   0.41670   0.00010  -0.50080   1.00000   0.00260
B  -0.11040   0.00050   0.00600   1.00000   0.01630
O1   0.14160  -0.39610  -0.00420   1.00000   0.00850
O2   0.53400   0.39490   0.00380   1.00000   0.00860
O3a  -0.00370   0.05620  -0.78250   1.00000   0.00620
O3b   0.05430  -0.00120   0.11940   1.00000   0.00620
O4   0.65710  -0.19450   0.02140   1.00000   0.00570
O5   0.84930   0.19630  -0.02420   1.00000   0.00620