#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/05/9010551.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_9010551
loop_
_publ_author_name
'Johnsen, O.'
'Grice, J. D.'
_publ_section_title
;The crystal chemistry of the eudialyte group Locality: Kipawa alkaline
 complex, Villedieu township, Temiscaminque County, Quebec, Canada Sample: #8
 Note: additional sites with low but unreported occupancies excluded
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              865
_journal_page_last               891
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
;Ca6.42 Ce0.24 Cl0.96 Dy0.06 Er0.06 F0.534 Fe1.56 Gd0.06 H0.51 K0.42 La0.06
 Mg0.096 Mn0.54 Na12.324 Nb0.16 Nd0.06 O75.13 Si25.62 Sr0.06 Ti0.22 Y0.78
 Yb0.06 Zr3
;
_chemical_name_mineral           Eudialyte
_space_group_IT_number           166
_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                   14.225
_cell_length_b                   14.225
_cell_length_c                   30.302
_cell_volume                     5310.146
_exptl_crystal_density_diffrn    2.914
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum
;Ca6.42 Y.78 Ce.24 La.06 Nd.06 Gd.06 Dy.06 Er.06 Yb.06 Sr.06 Fe1.56 Mn.54
 Mg.096 Si25.62 Ti.22 Nb.16 Na12.324 K.42 Zr3 O75.13 Cl.96 F.534 H.51
;
_cod_database_code               9010551
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
-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
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,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_occupancy
_atom_site_U_iso_or_equiv
CaM1 0.00000 0.73840 0.50000 0.79000 0.01000
YM1 0.00000 0.73840 0.50000 0.13000 0.01000
CeM1 0.00000 0.73840 0.50000 0.02000 0.01000
LaM1 0.00000 0.73840 0.50000 0.01000 0.01000
NdM1 0.00000 0.73840 0.50000 0.01000 0.01000
GdM1 0.00000 0.73840 0.50000 0.01000 0.01000
DyM1 0.00000 0.73840 0.50000 0.01000 0.01000
ErM1 0.00000 0.73840 0.50000 0.01000 0.01000
YbM1 0.00000 0.73840 0.50000 0.01000 0.01000
SrM1 0.00000 0.73840 0.50000 0.01000 0.01000
FeM24 0.00000 0.50000 0.50000 0.44000 0.06400
MnM24 0.00000 0.50000 0.50000 0.18000 0.06400
FeM25 -0.06070 0.46970 0.49790 0.04000 0.02000
MgM25 -0.06070 0.46970 0.49790 0.01600 0.02000
SiM3 0.00000 0.00000 0.12010 0.61000 0.03900
TiM3 0.00000 0.00000 0.12010 0.08000 0.03900
NbM3 0.00000 0.00000 0.12010 0.06000 0.03900
Si7 0.00000 0.00000 0.07820 0.20000 0.01300
TiSi7 0.00000 0.00000 0.07820 0.03000 0.01300
NbSi7 0.00000 0.00000 0.07820 0.02000 0.01300
Na1a 0.22600 -0.22600 0.01100 0.48700 0.04400
Na1b 0.25310 -0.25310 -0.00450 0.48700 0.04400
Na4 0.56450 -0.56450 0.11770 0.63000 0.05300
CaNa4 0.56450 -0.56450 0.11770 0.28000 0.05300
KNa4 0.56450 -0.56450 0.11770 0.07000 0.05300
CeNa4 0.56450 -0.56450 0.11770 0.02000 0.05300
Na5 -0.07320 0.07320 0.01170 0.45000 0.10700
Zr 0.50000 0.50000 0.00000 1.00000 0.01100
Si1 0.40350 -0.40350 0.08470 1.00000 0.01100
Si3 0.12520 -0.12520 0.09090 1.00000 0.01400
Si5 0.34100 0.27780 0.06980 1.00000 0.01200
O1 0.27170 -0.27170 0.08840 1.00000 0.02200
O2 0.44590 -0.44590 0.12390 1.00000 0.02400
O3 0.42900 -0.42900 0.03630 1.00000 0.02700
O7 0.23190 0.28570 0.06020 1.00000 0.02700
O8 0.15310 -0.15310 0.13800 1.00000 0.02100
O9 0.06020 -0.06020 0.09350 1.00000 0.05500
O13 0.43640 0.36310 0.03930 1.00000 0.02800
O14 0.37080 0.29650 0.12100 1.00000 0.02300
O15 0.84350 -0.84350 0.05420 1.00000 0.02100
O19 0.05830 -0.05830 0.83760 0.34000 0.06100
O20 0.00000 0.00000 0.02650 0.29000 0.02400
ClX1a 0.00000 0.00000 0.73730 0.09600 0.06900
FX1a 0.00000 0.00000 0.73730 0.05300 0.06900
O-HX1a 0.00000 0.00000 0.73730 0.05100 0.06900
ClX1b 0.04880 -0.04880 0.74520 0.03200 0.03000
FX1b 0.04880 -0.04880 0.74520 0.01800 0.03000
O-HX1b 0.04880 -0.04880 0.74520 0.01700 0.03000
ClX1c 0.05000 -0.05000 0.79370 0.03200 0.03000
FX1c 0.05000 -0.05000 0.79370 0.01800 0.03000
O-HX1c 0.05000 -0.05000 0.79370 0.01700 0.03000
ClX1d 0.00000 0.00000 0.80030 0.09600 0.03000
FX1d 0.00000 0.00000 0.80030 0.05300 0.03000
O-HX1d 0.00000 0.00000 0.80030 0.05100 0.03000
ClX1e 0.00000 0.00000 0.69080 0.09600 0.03000
FX1e 0.00000 0.00000 0.69080 0.05300 0.03000
O-HX1e 0.00000 0.00000 0.69080 0.05100 0.03000