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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015560.cif $
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#
# 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_9015560
loop_
_publ_author_name
'Piilonen, P. C.'
'McDonald, A. M.'
'Grice, J. D.'
'Cooper, M. A.'
'Kolitsch, U.'
'Rowe, R.'
'Gault, R. A.'
'Poirier, G.'
_publ_section_title
;
 Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia),
 with descriptions of the crystal structures of arisite-(La) and arisite-(Ce)
 Note: x-coordinate of O1 adjusted to special position
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              257
_journal_page_last               268
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Aris, Namibia'
_chemical_formula_sum
'C2.7 Ca0.1 Ce0.94 F1.6 La0.8 Na Nd0.1 O8.1 Pr0.04 Sm0.02'
_chemical_name_mineral           Arisite-(Ce)
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1109
_cell_length_b                   5.1109
_cell_length_c                   8.6713
_cell_volume                     196.160
_database_code_amcsd             0014600
_exptl_crystal_density_diffrn    4.108
_[local]_cod_chemical_formula_sum_orig
'Na (Ce.94 La.8 Pr.04 Nd.1 Sm.02 Ca.1) C2.7 O8.1 F1.6'
_cod_database_code               9015560
loop_
_space_group_symop_operation_xyz
x,y,z
x,x-y,-z
-x+y,-x,-z
-y,-x,z
-y,x-y,z
-x+y,y,-z
x,y,-z
x,x-y,z
-x+y,-x,z
-y,-x,-z
-y,x-y,-z
-x+y,y,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
Na 0.00000 0.00000 0.00000 1.00000 0.01300
Ce 0.66667 0.33333 0.72542 0.47000 0.01200
La 0.66667 0.33333 0.72542 0.40000 0.01200
Pr 0.66667 0.33333 0.72542 0.02000 0.01200
Nd 0.66667 0.33333 0.72542 0.05000 0.01200
Sm 0.66667 0.33333 0.72542 0.01000 0.01200
Ca 0.66667 0.33333 0.72542 0.05000 0.01200
C1 0.33333 0.66667 0.80500 1.00000 0.01300
O1 0.62520 0.81260 0.80130 1.00000 0.01700
F 0.66667 0.33333 0.00000 1.00000 0.03100
C2 0.00000 0.00000 0.50000 0.70000 0.03300
O2 0.84750 0.15250 0.50000 0.70000 0.02600
F2 0.84750 0.15250 0.50000 0.20000 0.02600
_journal_paper_doi 10.1180/minmag.2010.074.2.257