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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/9/00/48/9004866.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_9004866
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: (Ce1.88 La1.01 Nd.61 Pr.19 Sm.06 Gd.03 Ca.27 Y.03 Th.02)
 (Fe2+.93 Mn.06 Zr.01) (Ti2.55 Fe3+1.29 Nb.16) Si3.91 O22 Crystal (3an)
;
_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 Fe2.22 Mn0.06 Nb0.16 O22 Si4 Ti2.55 Zr0.01'
_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                 100.516
_cell_angle_gamma                90
_cell_length_a                   13.368
_cell_length_b                   5.7243
_cell_length_c                   11.041
_cell_formula_units_Z            2
_cell_volume                     830.694
_database_code_amcsd             0005959
_exptl_crystal_density_diffrn    5.157
_cod_original_formula_sum        'Ce4 Fe2.22 Mn.06 Zr.01 Ti2.55 Nb.16 Si4 O22'
_cod_database_code               9004866
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_occupancy
_atom_site_U_iso_or_equiv
CeA1 0.35694 0.00000 0.73625 1.00000 0.01830
CeA2 0.07052 0.00000 0.74265 1.00000 0.02110
Fe2+M1 0.50000 0.00000 0.50000 0.93000 0.01730
Mn2+M1 0.50000 0.00000 0.50000 0.06000 0.01730
ZrM1 0.50000 0.00000 0.50000 0.01000 0.01730
Fe3+M2 0.25000 0.25000 0.00000 0.64500 0.01270
TiM2 0.25000 0.25000 0.00000 0.27500 0.01270
NbM2 0.25000 0.25000 0.00000 0.08000 0.01270
TiM3 0.00000 0.00000 0.00000 1.00000 0.01520
TiM4 0.50000 0.00000 0.00000 1.00000 0.01940
Si1 0.20140 0.50000 0.73100 1.00000 0.02960
Si2 0.35880 0.50000 0.54470 1.00000 0.03320
O1 0.47800 0.25170 0.87340 1.00000 0.01480
O2 0.14610 0.00000 0.97800 1.00000 0.01150
O3 0.18720 0.00000 0.59690 1.00000 0.01680
O4 0.34790 0.00000 0.98860 1.00000 0.01260
O5 0.42640 0.27080 0.59150 1.00000 0.02720
O6 0.22730 -0.73510 0.81370 1.00000 0.01320
O7 0.08330 0.50000 0.66830 1.00000 0.03000
O8 0.27190 0.50000 0.62910 1.00000 0.04100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005959
