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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/48/9004834.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_9004834
loop_
_publ_author_name
'Friis, H.'
'Balic-Zunic T'
'Pekov, I. V.'
'Petersen, O. V.'
_publ_section_title
;Kuannersuite-(Ce), Ba6Na2REE2(PO4)6FCl, a new member of the apatite group,
 from the Ilimaussaq Alkaline Complex, South Greenland: Description and
 crystal chemistry Locality: Ilimaussaq Alkaline Complex, South Greenland
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              95
_journal_page_last               106
_journal_paper_doi               10.2113/gscanmin.42.1.95
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source
'Ilimaussaq Alkaline Complex, South Greenland'
_chemical_formula_sum
'Ba5.886 Ce1.18 Cl0.59 F2.41 La0.3 Na2 Nd0.52 O24 P6'
_chemical_name_mineral           Kuannersuite-(Ce)
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9097
_cell_length_b                   9.9097
_cell_length_c                   7.4026
_cell_formula_units_Z            1
_cell_volume                     629.558
_database_code_amcsd             0005927
_exptl_crystal_density_diffrn    4.676
_cod_original_formula_sum
'Ba5.886 (Ce1.18 Nd.52 La.3) Na2 P6 O24 F2.41 Cl.59'
_cod_database_code               9004834
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x+y,-z
-x+y,-x,z
-x,-y,-z
-y,x-y,z
x-y,x,-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
Ba 0.26020 0.02440 0.23296 0.98100 0.01277
Ce 0.33333 0.66667 0.47754 0.59000 0.00860
Nd 0.33333 0.66667 0.47754 0.26000 0.00860
La 0.33333 0.66667 0.47754 0.15000 0.00860
Na 0.66667 0.33333 0.01590 1.17000 0.02130
P 0.38090 0.41230 0.26190 1.00000 0.00960
O1 0.50720 0.36680 0.28410 1.00000 0.01850
O2 0.13180 0.54550 0.21900 1.00000 0.01550
O3 0.28510 0.38670 0.43710 1.00000 0.01750
O4 0.26760 0.30960 0.11500 1.00000 0.01920
F1 0.00000 0.00000 0.03500 1.00000 0.02700
F2 0.00000 0.00000 0.50000 0.41000 0.01500
Cl 0.00000 0.00000 0.50000 0.59000 0.01500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005927
