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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/9/00/48/9004864.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_9004864
loop_
_publ_author_name
'Sokolova, E. V.'
'Hawthorne, F. C.'
'Della Ventura, G.'
'Kartashov, P. M.'
_publ_section_title
;Chevkinite-(Ce): Crystal structure and the effect of moderate
 radiation-induced damage on site-occupancy refinement Locality: Mongolia
 Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02)
 (Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 Crystal
 (2)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1013
_journal_page_last               1025
_journal_paper_doi               10.2113/gscanmin.42.4.1013
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        Mongolia
_chemical_formula_sum            'Ce4 Fe3 O22 Si4 Ti2'
_chemical_name_mineral           Chevkinite-(Ce)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.57
_cell_angle_gamma                90
_cell_length_a                   13.534
_cell_length_b                   5.789
_cell_length_c                   11.159
_cell_formula_units_Z            2
_cell_volume                     859.454
_database_code_amcsd             0005957
_exptl_crystal_density_diffrn    4.977
_cod_original_formula_sum        'Ce4 Fe3 Ti2 Si4 O22'
_cod_database_code               9004864
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
CeA1 0.35496 0.00000 0.73642 0.02830
CeA2 0.06918 0.00000 0.74232 0.03160
Fe2+M1 0.50000 0.00000 0.50000 0.03470
Fe3+M2 0.25000 0.25000 0.00000 0.02310
TiM3 0.00000 0.00000 0.00000 0.02090
TiM4 0.50000 0.00000 0.00000 0.02660
Si1 0.20200 0.50000 0.73170 0.03700
Si2 0.35760 0.50000 0.54700 0.04160
O1 0.47760 0.25320 0.87440 0.02230
O2 0.14680 0.00000 0.97860 0.02000
O3 0.18270 0.00000 0.59570 0.02500
O4 0.34860 0.00000 0.98860 0.02100
O5 0.42470 0.27300 0.59850 0.03700
O6 0.22860 -0.73540 0.81380 0.01930
O7 0.08310 0.50000 0.67370 0.05200
O8 0.26540 0.50000 0.62540 0.05300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005957
