#------------------------------------------------------------------------------
#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/05/9010556.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_9010556
loop_
_publ_author_name
'Johnsen, O.'
'Grice, J. D.'
_publ_section_title
;
 The crystal chemistry of the eudialyte group
 Locality: Amdrup Fjord, Kangerdlugssuaq intrusion, Eastern Greenland
 Sample: #13
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              865
_journal_page_last               891
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
;Al0.15 Ca3.36 Ce0.71 Cl0.269 F1.541 Fe0.75 H0.192 Hf0.06 K0.3 La0.58 Mn3.78
 Na13.93 Nb0.55 Nd0.138 O75.752 Si25.11 Sr0.15 Ti0.2 Y0.42 Zr2.95
;
_chemical_name_mineral           Kentbrooksite
_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                   14.199
_cell_length_b                   14.199
_cell_length_c                   30.139
_cell_volume                     5262.293
_exptl_crystal_density_diffrn    3.093
_[local]_cod_cif_authors_sg_H-M  'R 3 m'
_[local]_cod_chemical_formula_sum_orig
;Ca3.36 Mn3.78 Y.42 Ce.71 La.58 Fe.75 Al.15 Nb.55 Zr2.95 Ti.2 Si25.11 Na13.93
 Nd.138 K.3 Sr.15 Hf.06 O75.752 Cl.269 F1.541 H.192
;
_cod_database_code               9010556
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_occupancy
_atom_site_U_iso_or_equiv
CaM1 0.59400 0.92570 0.16740 0.56000 0.01700
MnM1 0.59400 0.92570 0.16740 0.30000 0.01700
YM1 0.59400 0.92570 0.16740 0.07000 0.01700
CeM1 0.59400 0.92570 0.16740 0.04000 0.01700
LaM1 0.59400 0.92570 0.16740 0.03000 0.01700
MnM25 0.81790 0.18210 0.16930 0.66000 0.01400
FeM25 0.81790 0.18210 0.16930 0.15000 0.01400
AlM25 0.81790 0.18210 0.16930 0.05000 0.01400
FeM24 0.84300 0.15700 0.16430 0.10000 0.03000
NbM3 0.00000 0.00000 -0.12810 0.55000 0.01400
ZrM3 0.00000 0.00000 -0.12810 0.13000 0.01400
TiM3 0.00000 0.00000 -0.12810 0.08000 0.01400
Si7 0.00000 0.00000 0.07800 0.85000 0.01100
Si7a 0.00000 0.00000 0.11690 0.26000 0.03000
Na1a 0.22210 0.77790 0.01560 0.48500 0.03300
CeNa1a 0.22210 0.77790 0.01560 0.01000 0.03300
LaNa1a 0.22210 0.77790 0.01560 0.00500 0.03300
Na1b 0.24940 0.75080 -0.00030 0.48500 0.07700
CeNa1b 0.24940 0.75080 -0.00030 0.01000 0.07700
LaNa1b 0.24940 0.75080 -0.00030 0.00500 0.07700
Na2 0.44420 0.55580 -0.67870 0.79000 0.02300
Na3a 0.08890 0.91110 0.20490 0.47000 0.07300
CeNa3a 0.08890 0.91110 0.20490 0.01500 0.07300
LaNa3a 0.08890 0.91110 0.20490 0.01000 0.07300
NdNa3a 0.08890 0.91110 0.20490 0.00800 0.07300
Na3b 0.11510 0.88490 0.21550 0.47000 0.03300
CeNa3b 0.11510 0.88490 0.21550 0.01500 0.03300
LaNa3b 0.11510 0.88490 0.21550 0.01000 0.03300
NdNa3b 0.11510 0.88490 0.21550 0.00800 0.03300
Na4 0.56700 0.43300 0.12040 0.62000 0.01500
CeNa4 0.56700 0.43300 0.12040 0.10000 0.01500
LaNa4 0.56700 0.43300 0.12040 0.10000 0.01500
NdNa4 0.56700 0.43300 0.12040 0.03000 0.01500
KNa4 0.56700 0.43300 0.12040 0.10000 0.01500
SrNa4 0.56700 0.43300 0.12040 0.05000 0.01500
Na5 0.73860 0.26140 0.31390 1.00000 0.06500
Zr 0.49800 0.50200 0.00000 0.94000 0.00900
Ti 0.49800 0.50200 0.00000 0.04000 0.00900
Hf 0.49800 0.50200 0.00000 0.02000 0.00900
Si1 0.26280 0.73720 0.24890 1.00000 0.01400
Si2 0.40360 0.59640 0.08750 1.00000 0.01700
Si3 0.53940 0.46060 0.24460 1.00000 0.01100
Si4 0.12480 0.87520 0.09200 1.00000 0.01000
Si5 0.94600 0.67640 0.26320 1.00000 0.00900
Si6 0.72290 0.06260 0.06970 1.00000 0.01000
O1 0.39510 0.60490 0.24500 1.00000 0.02400
O2 0.22180 0.77820 0.20780 1.00000 0.03300
O3 0.23490 0.76510 0.29660 1.00000 0.03400
O4 0.27120 0.72880 0.09230 1.00000 0.02900
O5 0.44730 0.55270 0.12520 1.00000 0.03600
O6 0.09410 0.90590 0.37130 1.00000 0.03000
O7 0.60980 0.03800 0.27420 1.00000 0.01500
O8 0.51590 0.48410 0.19590 1.00000 0.01500
O9 0.60440 0.39560 0.24840 1.00000 0.02300
O10 0.71590 0.94520 0.05990 1.00000 0.02500
O11 0.15510 0.84490 0.13850 1.00000 0.01700
O12 0.05960 0.94040 0.10040 1.00000 0.03600
O13 0.30220 0.89810 -0.62670 1.00000 0.02200
O14 0.70360 0.07420 0.12110 1.00000 0.01600
O15 0.84350 0.15650 0.05300 1.00000 0.01600
O16 0.74970 0.77550 0.29450 1.00000 0.02100
O17 0.96070 0.70380 0.21080 1.00000 0.01700
O18 0.82020 0.17980 0.27810 1.00000 0.01400
O19 0.72990 0.27010 0.17070 0.87000 0.02100
O20 0.00000 0.00000 0.02480 0.95000 0.02200
ClX1a 0.00000 0.00000 -0.26610 0.03400 0.03000
FX1a 0.00000 0.00000 -0.26610 0.19300 0.03000
O-HX1a 0.00000 0.00000 -0.26610 0.02400 0.03000
ClX1b 0.05010 0.10020 -0.26090 0.01100 0.03000
FX1b 0.05010 0.10020 -0.26090 0.06400 0.03000
O-HX1b 0.05010 0.10020 -0.26090 0.00800 0.03000
ClX1c 0.02580 0.05170 -0.24540 0.01100 0.03000
FX1c 0.02580 0.05170 -0.24540 0.06400 0.03000
O-HX1c 0.02580 0.05170 -0.24540 0.00800 0.03000
ClX2a 0.00000 0.00000 0.23850 0.03400 0.03000
FX2a 0.00000 0.00000 0.23850 0.19300 0.03000
O-HX2a 0.00000 0.00000 0.23850 0.02400 0.03000
ClX2b 0.00000 0.00000 0.20910 0.03400 0.03000
FX2b 0.00000 0.00000 0.20910 0.19300 0.03000
O-HX2b 0.00000 0.00000 0.20910 0.02400 0.03000
ClX2c 0.01970 0.03940 0.29200 0.01100 0.03000
FX2c 0.01970 0.03940 0.29200 0.06400 0.03000
O-HX2c 0.01970 0.03940 0.29200 0.00800 0.03000
ClX2d 0.00000 0.00000 0.26150 0.03400 0.03000
FX2d 0.00000 0.00000 0.26150 0.19300 0.03000
O-HX2d 0.00000 0.00000 0.26150 0.02400 0.03000
ClX2e 0.00000 0.00000 0.17280 0.03400 0.03000
FX2e 0.00000 0.00000 0.17280 0.19300 0.03000
O-HX2e 0.00000 0.00000 0.17280 0.02400 0.03000