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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/9/01/28/9012843.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_9012843
loop_
_publ_author_name
'Lulu, X. M.'
'Zhi-Zhong P'
_publ_section_title
;
 Crystal structure of xinganite
 Locality: Daxinganling, China
;
_journal_name_full               Geochemistry
_journal_page_first              280
_journal_page_last               285
_journal_volume                  5
_journal_year                    1986
_chemical_formula_sum            'Be0.96 Ce0.92 H O5 Si0.98'
_chemical_name_mineral           Hingganite-(Ce)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.171
_cell_angle_gamma                90
_cell_length_a                   4.7681
_cell_length_b                   7.6757
_cell_length_c                   9.9301
_cell_volume                     363.425
_exptl_crystal_density_diffrn    4.498
_[local]_cod_chemical_formula_sum_orig 'Ce.92 Be.96 Si.98 O5 H'
_cod_database_code               9012843
_amcsd_database_code             AMCSD#0013763
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ce 0.00540 0.01260 0.01340 0.00050 0.00580 0.00140
Be 0.00010 0.00010 0.00630 0.00170 0.01360 0.00170
Si 0.00940 0.00860 0.01580 0.00190 0.00730 0.00180
O1 0.01380 0.01740 0.02240 0.00230 0.01110 0.00540
O2 0.00750 0.01740 0.02310 0.00400 0.01160 0.00360
O3 0.00620 0.01120 0.02210 0.02210 -0.01400 0.00120
O4 0.01890 0.00740 0.02000 0.00020 0.01090 -0.00010
Oh5 0.00340 0.02510 0.02030 -0.00760 0.00670 0.00960
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ce 0.00100 0.11080 0.33120 0.92000 ?
Be 0.44690 0.41470 0.33530 0.96000 ?
Si 0.51520 0.27420 0.08060 0.98000 ?
O1 0.75920 0.41250 0.03600 1.00000 ?
O2 0.32680 0.28780 0.45170 1.00000 ?
O3 0.30840 0.35030 0.19370 1.00000 ?
O4 0.68360 0.10800 0.14780 1.00000 ?
O-h5 0.78790 0.41280 0.32960 1.00000 ?
H 0.80330 0.48170 0.43150 1.00000 0.05870