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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/47/9014762.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_9014762
loop_
_publ_author_name
'Yang, Z.'
'Giester, G.'
'Ding, K.'
'Tillmanns, E.'
_publ_section_title
;
 Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of
 the chevkinite group from Saima alkaline complex, Liaoning Province, NE China
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               196
_journal_paper_doi               10.1127/0935-1221/2011/0023-2158
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'Saima alkaline complex, Liaoning Province, NE China'
_chemical_formula_sum            'Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91'
_chemical_name_mineral           Hezuolinite
_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                 114.10
_cell_angle_gamma                90
_cell_length_a                   13.973
_cell_length_b                   5.6984
_cell_length_c                   11.988
_cell_formula_units_Z            2
_cell_volume                     871.327
_database_code_amcsd             0018979
_exptl_crystal_density_diffrn    4.300
_cod_original_formula_sum        '(Sr3.4 Ce.6) Zr.91 Fe.366 Ti3.724 Si4 O22'
_cod_database_code               9014762
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
Sr(1) 0.76910 0.00000 0.73925 0.82700 0.01944
Ce(1) 0.76910 0.00000 0.73925 0.17300 0.01944
Sr(2) 0.54878 0.50000 0.74706 0.87300 0.01977
Ce(2) 0.54878 0.50000 0.74706 0.12700 0.01977
Zr 0.00000 0.50000 0.50000 0.91000 0.01433
Fe 0.00000 0.50000 0.50000 0.09000 0.01433
Ti(1) 0.50000 0.74123 0.00000 0.86200 0.01650
Fe(1) 0.50000 0.74123 0.00000 0.13800 0.01650
Ti(2) 0.27291 0.00000 0.00148 1.00000 0.01740
Si(1) 0.40824 0.00000 0.73498 1.00000 0.01233
Si(2) 0.83745 0.00000 0.45164 1.00000 0.01473
O(1) 0.06874 0.26040 0.18216 1.00000 0.02000
O(2) 0.21047 0.24950 0.88124 1.00000 0.01800
O(3) 0.38640 0.73610 0.41220 1.00000 0.02790
O(4) 0.09410 0.00000 0.99510 1.00000 0.02090
O(5) 0.40540 0.00000 0.00520 1.00000 0.01730
O(6) 0.48140 0.00000 0.66080 1.00000 0.02860
O(7) 0.28480 0.00000 0.64640 1.00000 0.03430
O(8) 0.14200 0.00000 0.40830 1.00000 0.03140
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018979
