#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013787.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_9013787
loop_
_publ_author_name
'Grice, J. D.'
'Rowe, R.'
'Poirier, G.'
'Pratt, A.'
'Francis, J.'
_publ_section_title
;Bussyite-(Ce), a new beryllium silicate mineral species from Mont
 Saint-Hilaire, Quebec Locality: Poudrette quarry, Mont Saint-Hilaire, Quebec,
 Canada
;
_journal_name_full               'The Canadian Mineralogists'
_journal_page_first              193
_journal_page_last               204
_journal_volume                  47
_journal_year                    2009
_chemical_formula_sum
;Be5.176 Ca0.764 Ce0.824 Eu0.008 F4 Gd0.078 H7.72 La0.236 Mg0.012 Mn0.485
 Na3.652 Nd0.374 O33.15 Pr0.114 Si8.824 Sm0.08 Th0.174 Y0.242
;
_chemical_name_mineral           Bussyite-(Ce)
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.127
_cell_angle_gamma                90
_cell_length_a                   11.6445
_cell_length_b                   13.9212
_cell_length_c                   16.5909
_cell_volume                     2674.112
_exptl_crystal_density_diffrn    3.368
_[local]_cod_chemical_formula_sum_orig
;Ce.824 Nd.374 Y.242 Th.174 Pr.114 Sm.08 Gd.078 Eu.008 (Ca.764 La.236) Na3.652
 O33.15 Mn.485 Mg.012 Si8.824 Be5.176 F4 H7.72
;
_cod_database_code               9013787
_amcsd_database_code             AMCSD#0006240
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-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
Ce1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Nd1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Y1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Th1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Pr1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Sm1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Gd1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Eu1 0.01680 0.01400 0.01400 -0.00050 -0.00110 -0.00050
Ca 0.01990 0.02280 0.01860 0.00000 0.00130 0.00000
La 0.01990 0.02280 0.01860 0.00000 0.00130 0.00000
Na1 0.05350 0.03130 0.03160 0.00000 0.01740 0.00000
Wat1 0.05350 0.03130 0.03160 0.00000 0.01740 0.00000
Na2 0.01700 0.06710 0.01690 -0.00470 -0.00070 -0.01180
Wat2 0.01700 0.06710 0.01690 -0.00470 -0.00070 -0.01180
Na3 0.03610 0.05300 0.04760 0.00260 0.00810 0.02900
Wat3 0.03610 0.05300 0.04760 0.00260 0.00810 0.02900
Na4 0.07600 0.03000 0.06800 -0.00600 0.02500 0.00000
Wat4 0.07600 0.03000 0.06800 -0.00600 0.02500 0.00000
Mn 0.02590 0.04770 0.02800 0.00000 -0.00160 0.00000
Na 0.02590 0.04770 0.02800 0.00000 -0.00160 0.00000
Mg 0.02590 0.04770 0.02800 0.00000 -0.00160 0.00000
Si1 0.03150 0.02610 0.02430 0.00030 -0.00070 -0.00290
Si2 0.01640 0.01400 0.01560 0.00070 -0.00070 0.00250
Be2 0.01640 0.01400 0.01560 0.00070 -0.00070 0.00250
Si3 0.02910 0.02920 0.02470 -0.00630 -0.00200 0.00240
Si4 0.02510 0.02280 0.02130 -0.00140 -0.00330 -0.00150
Si5 0.02360 0.00360 0.01530 0.00120 0.00110 -0.00010
Si5a 0.02700 0.03600 0.02000 5.00000 -0.00300 -0.00700
Be5a 0.02700 0.03000 0.02000 0.00500 -0.00300 -0.00700
Be6 0.01000 0.00700 0.01600 0.00300 0.00900 0.00000
Si6 0.01000 0.00700 0.01600 0.00300 0.00900 0.00000
Be7 0.01100 0.01200 0.03000 0.00000 0.00500 -0.00400
Si7 0.01100 0.01200 0.03000 0.00000 0.00500 -0.00400
O1 0.02000 0.01600 0.02000 0.00400 0.00900 -0.00200
O2 0.02300 0.01600 0.02300 0.00500 0.01100 -0.00300
O3 0.01700 0.03200 0.02100 -0.00600 -0.00500 -0.00600
O4 0.02900 0.02000 0.01800 -0.01200 -0.00600 -0.00800
O5 0.01400 0.01700 0.01300 -0.00400 0.00300 -0.00100
O6 0.02300 0.03300 0.01700 0.01100 -0.00200 0.00000
O7 0.02600 0.02300 0.02300 -0.00100 0.00400 -0.00600
O8 0.04700 0.02700 0.03600 0.00600 0.01400 -0.00300
O9 0.05900 0.03300 0.03400 0.01900 0.00600 -0.00200
O10 0.01100 0.02200 0.01100 -0.00700 -0.00400 0.00500
O11 0.03100 0.03400 0.00500 -0.01200 -0.00400 0.00500
O12 0.02700 0.01300 0.02400 -0.00500 0.00000 0.00000
O13 0.01500 0.02000 0.02000 0.00000 0.00000 0.00000
O14 0.01800 0.01300 0.00700 -0.00200 -0.00200 0.00300
O15 0.01800 0.02200 0.01400 -0.00200 -0.00800 0.00700
F16 0.03700 0.02900 0.04600 -0.00200 0.00800 -0.00100
F17 0.04000 0.05500 0.04200 0.00200 0.00400 0.00800
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
Ce1 0.14869 0.25501 0.39821 0.41200 0.01515
Nd1 0.14869 0.25501 0.39821 0.18700 0.01515
Y1 0.14869 0.25501 0.39821 0.12100 0.01515
Th1 0.14869 0.25501 0.39821 0.08700 0.01515
Pr1 0.14869 0.25501 0.39821 0.05700 0.01515
Sm1 0.14869 0.25501 0.39821 0.04000 0.01515
Gd1 0.14869 0.25501 0.39821 0.03900 0.01515
Eu1 0.14869 0.25501 0.39821 0.00400 0.01515
Ca 0.00000 0.45863 0.25000 0.76400 0.02050
La 0.00000 0.45863 0.25000 0.23600 0.02050
Na1 0.00000 0.73890 0.25000 0.55000 0.03780
Wat1 0.00000 0.73890 0.25000 0.45000 0.03780
Na2 0.16860 0.54350 0.40040 0.55000 0.03390
Wat2 0.16860 0.54350 0.40040 0.45000 0.03390
Na3 0.17250 0.98020 0.41240 0.55000 0.04530
Wat3 0.17250 0.98020 0.41240 0.45000 0.04530
Na4 0.18740 0.24690 -0.03820 0.25000 0.05660
Wat4 0.18740 0.24690 -0.03820 0.45000 0.05660
Mn 0.00000 0.07534 0.25000 0.48500 0.03420
Na 0.00000 0.07534 0.25000 0.40200 0.03420
Mg 0.00000 0.07534 0.25000 0.01200 0.03420
Si1 0.20532 0.90024 0.23466 1.00000 0.02760
Si2 0.08150 0.10560 0.06150 0.46300 0.01540
Be2 0.08150 0.10560 0.06150 0.53700 0.01530
Si3 0.08092 0.60954 0.08162 1.00000 0.02800
Si4 0.16350 0.25345 0.17442 1.00000 0.02350
Si5 0.09190 0.88860 0.07360 0.64000 0.01420
Si5a 0.05210 0.81080 0.08730 0.20900 0.02600
Be5a 0.05210 0.81080 0.08730 0.15100 0.02600
Be6 0.25230 0.60250 0.21910 0.94000 0.01000
Si6 0.25230 0.60250 0.21910 0.06000 0.01000
Be7 0.04790 0.40410 0.07800 0.96000 0.01800
Si7 0.04790 0.40410 0.07800 0.04000 0.01800
O1 0.31770 0.89540 0.18520 1.00000 0.01790
O2 0.17940 0.00270 0.27200 1.00000 0.02000
O3 0.08920 0.86870 0.17210 1.00000 0.02370
O4 0.28100 0.31960 0.19060 1.00000 0.02300
O5 -0.02720 0.10840 0.11100 1.00000 0.01460
O6 0.04480 0.12920 -0.03580 1.00000 0.02420
O7 0.18060 0.18200 0.09870 1.00000 0.02380
O8 0.14140 0.99960 0.06020 1.00000 0.03640
O9 -0.00530 0.69250 0.11380 1.00000 0.04200
O10 0.21310 0.62500 0.12060 1.00000 0.01530
O11 0.07130 0.61990 -0.01680 1.00000 0.02400
O12 0.03200 0.50910 0.11320 1.00000 0.02140
O13 0.05040 0.32200 0.15120 1.00000 0.01860
O14 0.15470 0.19090 0.25570 1.00000 0.01300
O15 0.32780 0.31090 0.46430 1.00000 0.01850
F16 0.13900 0.60140 0.26560 1.00000 0.03720
F17 0.16200 0.39900 0.03030 1.00000 0.04600