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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/41/9014115.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_9014115
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_paper_doi               10.1180/minmag.2010.074.2.257
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Aris, Namibia'
_chemical_formula_sum
'C2.63 Ca0.14 Ce0.84 F1.72 La0.9 Na Nd0.08 O7.89 Pr0.02 Sm0.02'
_chemical_name_mineral           Arisite-(La)
_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                   5.1131
_cell_length_b                   5.1131
_cell_length_c                   8.6759
_cell_formula_units_Z            1
_cell_volume                     196.433
_database_code_amcsd             0014599
_exptl_crystal_density_diffrn    4.051
_cod_original_formula_sum
'Na (La.9 Ce.84 Nd.08 Pr.02 Sm.02 Ca.14) C2.63 O7.89 F1.72'
_cod_database_code               9014115
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 0.01400
La 0.66667 0.33333 0.72574 0.45000 0.01100
Ce 0.66667 0.33333 0.72574 0.42000 0.01100
Nd 0.66667 0.33333 0.72574 0.04000 0.01100
Pr 0.66667 0.33333 0.72574 0.01000 0.01100
Sm 0.66667 0.33333 0.72574 0.01000 0.01100
Ca 0.66667 0.33333 0.72574 0.07000 0.01100
C1 0.33333 0.66667 0.80400 1.00000 0.01200
O1 0.62800 0.81400 0.80130 1.00000 0.01900
F 0.66667 0.33333 0.00000 1.00000 0.03200
C2 0.00000 0.00000 0.50000 0.63000 0.04400
O2 0.84700 0.15300 0.50000 0.63000 0.02500
F2 0.84700 0.15300 0.50000 0.24000 0.02500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014599
