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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007984.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_9007984
loop_
_publ_author_name
'Woodward, J. D.'
'Almond, P. M.'
'Albrecht-Schmitt T E'
_publ_section_title
;
 Caesium thorium silicate, Cs2ThSi6O15
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i58
_journal_page_last               i60
_journal_paper_doi               10.1107/S1600536805008421
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     Cs2ThSi6O15
_chemical_formula_sum            'Cs2 O15 Si6 Th'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.2920
_cell_length_b                   7.2154
_cell_length_c                   13.6800
_cell_formula_units_Z            4
_cell_volume                     1608.129
_database_code_amcsd             0010442
_exptl_crystal_density_diffrn    3.744
_cod_original_formula_sum        'Cs2 Th Si6 O15'
_cod_database_code               9007984
_amcsd_formula_title             Cs2ThSi6O15
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,z
1/2-x,y,1/2+z
-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cs1 0.03198 0.75571 -0.00043 0.02933
Cs2 0.14389 0.77550 0.31009 0.04080
Th 0.12009 0.28758 0.14972 0.00868
Si1 -0.07690 0.45300 0.22150 0.01070
Si2 -0.05602 0.03590 0.22880 0.00960
Si3 0.30808 0.01390 0.07470 0.01050
Si4 0.28295 0.58100 0.07130 0.00980
Si5 0.10902 0.24960 -0.11800 0.00840
Si6 0.20396 0.28060 0.40610 0.01050
O1 0.01140 0.48730 0.17800 0.01610
O2 -0.09130 0.56680 0.32040 0.02420
O3 -0.14720 0.50280 0.14220 0.02250
O4 -0.09050 0.24040 0.25650 0.01410
O5 0.03510 0.04030 0.18790 0.01170
O6 -0.11690 -0.05620 0.15030 0.01850
O7 0.22270 0.08510 0.11570 0.02020
O8 0.30540 -0.20480 0.04710 0.01370
O9 0.33650 0.12140 -0.02490 0.01550
O10 0.19380 0.55570 0.11770 0.01770
O11 0.07820 0.27250 -0.00850 0.01920
O12 0.05930 0.08360 -0.16990 0.01470
O13 0.14700 0.31130 0.31230 0.02130
O14 0.29380 0.20230 0.37650 0.01880
O15 0.21080 0.47460 0.46670 0.01840
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010442
