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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/9/00/57/9005737.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_9005737
loop_
_publ_author_name
'Konev, A.'
'Pasero, M.'
'Pushcharovsky, D.'
'Merlino, S.'
'Kashaev, A.'
'Suvorova, L.'
'Ushchapovskaya, Z.'
'Nartova, N.'
'Lebedeva, Y.'
'Chukanov, N.'
_publ_section_title
;
 Biraite-(Ce), Ce2Fe2+(CO3)(Si2O7), a new mineral from Siberia
 with a novel structure type
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              715
_journal_page_last               721
_journal_paper_doi               10.1127/0935-1221/2005/0017-0715
_journal_volume                  17
_journal_year                    2005
_chemical_compound_source
'Biraia deposit, Irkutsk district, Siberia, Russia'
_chemical_formula_sum
;C Ca0.06 Ce F0.2 Fe0.67 La0.56 Mg0.21 Mn0.11 Na0.02 Nd0.24 O9.8 Pr0.08 Si2
 Sm0.02 Ti0.01
;
_chemical_name_mineral           Biraite-(Ce)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.75
_cell_angle_gamma                90
_cell_length_a                   6.505
_cell_length_b                   6.744
_cell_length_c                   18.561
_cell_formula_units_Z            4
_cell_volume                     771.053
_database_code_amcsd             0007129
_exptl_crystal_density_diffrn    4.716
_cod_original_formula_sum
;Ce La.56 Nd.24 Pr.08 Sm.02 Ca.06 Na.02 (Fe.67 Mn.11 Ti.01 Mg.21) C Si2 (O9.8
 F.2)
;
_cod_database_code               9005737
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+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
Ce1 0.32745 0.28119 0.23623 0.50000 0.01034
La1 0.32745 0.28119 0.23623 0.28000 0.01034
Nd1 0.32745 0.28119 0.23623 0.12000 0.01034
Pr1 0.32745 0.28119 0.23623 0.04000 0.01034
Sm1 0.32745 0.28119 0.23623 0.01000 0.01034
Ca1 0.32745 0.28119 0.23623 0.03000 0.01034
Na1 0.32745 0.28119 0.23623 0.01000 0.01034
Ce2 0.88569 0.86796 0.07651 0.50000 0.01232
La2 0.88569 0.86796 0.07651 0.28000 0.01232
Nd2 0.88569 0.86796 0.07651 0.12000 0.01232
Pr2 0.88569 0.86796 0.07651 0.04000 0.01232
Sm2 0.88569 0.86796 0.07651 0.01000 0.01232
Ca2 0.88569 0.86796 0.07651 0.03000 0.01232
Na2 0.88569 0.86796 0.07651 0.01000 0.01232
FeM1 0.43356 0.50550 0.07776 0.67000 0.01930
MnM1 0.43356 0.50550 0.07776 0.11000 0.01930
TiM1 0.43356 0.50550 0.07776 0.01000 0.01930
MgM1 0.43356 0.50550 0.07776 0.21000 0.01930
C 0.40410 0.98580 0.09960 1.00000 0.01280
Si1 0.92370 0.35730 0.07260 1.00000 0.01010
Si2 0.80560 0.28690 0.21860 1.00000 0.00880
O1 0.42210 0.12860 0.05660 0.98000 0.02010
F1 0.42210 0.12860 0.05660 0.02000 0.02010
O2 0.26830 -0.00920 0.13720 0.98000 0.01510
F2 0.26830 -0.00920 0.13720 0.02000 0.01510
O3 0.53240 0.83060 0.10910 0.98000 0.01750
F3 0.53240 0.83060 0.10910 0.02000 0.01750
O4 0.91310 0.18700 0.01120 0.98000 0.01380
F4 0.91310 0.18700 0.01120 0.02000 0.01380
O5 0.15380 0.46990 0.10640 0.98000 0.01950
F5 0.15380 0.46990 0.10640 0.02000 0.01950
O6 0.72660 0.51630 0.04250 0.98000 0.01550
F6 0.72660 0.51630 0.04250 0.02000 0.01550
O7 0.89600 0.22750 0.14640 0.98000 0.01220
F7 0.89600 0.22750 0.14640 0.02000 0.01220
O8 0.65910 0.11640 0.23650 0.98000 0.01190
F8 0.65910 0.11640 0.23650 0.02000 0.01190
O9 0.02660 0.32660 0.28740 0.98000 0.01350
F9 0.02660 0.32660 0.28740 0.02000 0.01350
O10 0.63690 0.47080 0.19140 0.98000 0.01320
F10 0.63690 0.47080 0.19140 0.02000 0.01320
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007129
