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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/07/9010784.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_9010784
loop_
_publ_author_name
'Pekov, I. V.'
'Pasero, M.'
'Yaskovskaya, A. N.'
'Chukanov, N. V.'
'Pushcharovsky, D. Y.'
'Merlino, S.'
'Zubkova, N. V.'
'Kononkova, N. N.'
'Men'shikov, Y. P.'
'Zadov, A. E.'
_publ_section_title
;Fluorcalciobritholite, (Ca,REE)5[(Si,P)O4]3F, a new mineral: description and
 crystal chemistry Locality: Mount Kukisvumchorr, Khibiny alkaline complex,
 Kola Peninsula, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              95
_journal_page_last               103
_journal_paper_doi               10.1127/0935-1221/2007/0019-0095
_journal_volume                  19
_journal_year                    2007
_chemical_compound_source
'Mount Kukisvumchorr, Khibiny alkaline complex, Kola Peninsula, Russia'
_chemical_formula_sum
'Ca3.006 Ce0.931 F La0.542 Nd0.261 O12 P1.05 Pr0.079 Si1.95 Y0.179'
_chemical_name_mineral           Fluorcalciobritholite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.580
_cell_length_b                   9.580
_cell_length_c                   6.985
_cell_formula_units_Z            2
_cell_volume                     555.173
_database_code_amcsd             0007198
_exptl_crystal_density_diffrn    4.123
_cod_original_formula_sum
'Ca3.006 Ce.931 La.542 Nd.261 Y.179 Pr.079 (Si1.95 P1.05) O12 F'
_cod_database_code               9010784
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-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
Ca1 0.33333 0.66667 0.00060 0.65400 0.03110
Ce1 0.33333 0.66667 0.00060 0.16100 0.03110
La1 0.33333 0.66667 0.00060 0.09400 0.03110
Nd1 0.33333 0.66667 0.00060 0.04500 0.03110
Y1 0.33333 0.66667 0.00060 0.03100 0.03110
Pr1 0.33333 0.66667 0.00060 0.01400 0.03110
Ca2 0.24870 0.01070 0.25000 0.56600 0.03300
Ce2 0.24870 0.01070 0.25000 0.20300 0.03300
La2 0.24870 0.01070 0.25000 0.11800 0.03300
Nd2 0.24870 0.01070 0.25000 0.05700 0.03300
Y2 0.24870 0.01070 0.25000 0.03900 0.03300
Pr2 0.24870 0.01070 0.25000 0.01700 0.03300
Si 0.37180 0.40010 0.25000 0.65000 0.02610
P 0.37180 0.40010 0.25000 0.35000 0.02610
O1 0.46770 0.59060 0.25000 1.00000 0.04300
O2 0.48660 0.32550 0.25000 1.00000 0.03700
O3 0.25630 0.34320 0.43100 1.00000 0.05400
F 0.00000 0.00000 0.25000 1.00000 0.09200
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007198
