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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008430.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_9008430
_chemical_name 'Britholite-(Ce)'
loop_
_publ_author_name
'Noe D C'
'Hughes J M'
'Mariano A N'
'Drexler J W'
'Kato A'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 206
_journal_year 1993
_journal_page_first 233
_journal_page_last 246
_publ_section_title
;
 The crystal structure of monoclinic britholite-(Ce) and britholite-(Y)
 Note: unannealed sample
 Locality: the Kipawa syenite gneiss complex
;
_chemical_formula_sum '(Ca2.15 Ce2.85) Si3 O12.16 F.84 H'
_cell_length_a 9.5804
_cell_length_b 9.5901
_cell_length_c 6.9802
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120.079
_cell_volume 554.957
_symmetry_space_group_name_H-M 'P 1 1 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+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
Ca1a   0.33350   0.66710   0.98600   0.19000   0.07168
Ce1a   0.33350   0.66710   0.98600   0.81000   0.07168
Ca1b   0.33290   0.66640   0.48840   0.71000   0.00038
Ce1b   0.33290   0.66640   0.48840   0.29000   0.00038
Ca2a   0.99050   0.24120   0.24400   0.40000   0.04002
Ce2a   0.99050   0.24120   0.24400   0.60000   0.04002
Ca2b   0.24070   0.25010   0.73800   0.42000   0.03964
Ce2b   0.24070   0.25010   0.73800   0.58000   0.03964
Ca2c   0.25020   0.00910   0.23300   0.43000   0.03774
Ce2c   0.25020   0.00910   0.23300   0.57000   0.03774
Si1   0.02560   0.62870   0.25000   1.00000   0.02660
Si2   0.37120   0.39800   0.24900   1.00000   0.02786
Si3   0.60240   0.97270   0.24800   1.00000   0.02913
O1a   0.83700   0.51100   0.23000   1.00000   0.04306
O1b   0.48900   0.32600   0.22300   1.00000   0.03800
O1c   0.67300   0.16500   0.22200   1.00000   0.03546
O2a   0.40500   0.87200   0.26900   1.00000   0.02406
O2b   0.46600   0.59500   0.25200   1.00000   0.04053
O2c   0.12900   0.53400   0.26200   1.00000   0.03166
O3a   0.63500   0.90200   0.04300   1.00000   0.02660
O3b   0.69200   0.93500   0.41000   1.00000   0.07346
O3c   0.27200   0.37000   0.04600   1.00000   0.02786
O3d   0.23900   0.30900   0.41700   1.00000   0.05066
O3e   0.06700   0.76000   0.06800   1.00000   0.06206
O3f   0.10000   0.73000   0.43600   1.00000   0.02913
F  -0.00100   0.99800   0.19100   0.84000   0.10385
O-H  -0.00100   0.99800   0.19100   0.16000   0.10385