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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009489.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009489
loop_
_publ_author_name
'Hughes, J. M.'
'Yunxiang, N.'
_publ_section_title
;
 A high-precision crystal structure refinement of daqingshanite-(Ce)
 from Nkombwa Hill carbonatite, Zambia
 Locality: Nkombwa Hill carbonatite, Zambia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              493
_journal_page_last               496
_journal_volume                  58
_journal_year                    1994
_chemical_formula_sum            'C3 Ce O13 P Sr3'
_chemical_name_mineral           Daqingshanite-(Ce)
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.073
_cell_length_b                   10.073
_cell_length_c                   9.234
_cell_volume                     811.406
_exptl_crystal_density_diffrn    4.162
_[local]_cod_cif_authors_sg_H-M  'R 3 m'
_[local]_cod_chemical_formula_sum_orig 'Sr3 Ce P C3 O13'
_cod_database_code               9009489
_amcsd_database_code             AMCSD#0012105
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_U_iso_or_equiv
Sr 0.48294 -0.48294 0.04310 0.01136
Ce 0.00000 0.00000 0.00000 0.01070
P 0.33333 0.66667 0.24480 0.01646
C 0.33070 0.16535 0.23250 0.01520
O1 0.33333 0.66667 0.40700 0.06079
O2 0.25030 0.50060 0.18970 0.02280
O3 0.19000 0.09500 0.20710 0.01773
O4 0.40460 0.09380 0.25210 0.02191