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#$Date: 2015-10-09 22:18:57 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162900 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/55/1535502.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1535502
loop_
_publ_author_name
'Hoffmann, S.'
'Faessler, T.F.'
'Hoch, C.'
'Roehr, C.'
_publ_section_title
;
 Alkali metal tetrelide-tetrelates: "double salts" with (E4)(4-) Zintl
 anions (E = Si, Ge) and the first dimeric cyclotrisilicate ions (Si6
 O17)(10-)
;
_journal_name_full               'Angew. Chem. Int. ed.'
_journal_page_first              4398
_journal_page_last               4400
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Cs10 O9 Si7'
_chemical_name_systematic        'Cs10 (Si4) (Si3 O9)'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.53
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.877
_cell_length_b                   8.193
_cell_length_c                   23.616
_cell_volume                     2873.028
_citation_journal_id_ASTM        ACIEF5
_cod_data_source_file            Hoffmann_ACIEF5_2001_289.cif
_cod_data_source_block           Cs10O9Si7
_cod_database_code               1535502
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O4 O-2 0.0774 -0.019 0.7264 1 0.0
Cs6 Cs+1 0.64854 -0.3683 0.69025 1 0.0
O8 O-2 0.5721 0.283 0.6517 1 0.0
Si4 Si-1 0.6749 -0.2124 0.5317 1 0.0
Si7 Si+4 0.5 -0.0975 0.75 1 0.0
Cs7 Cs+1 0.8824 -0.373 0.95648 1 0.0
Cs1 Cs+1 0.78231 0.0393 0.65986 1 0.0
Cs2 Cs+1 0.72346 -0.0376 0.82033 1 0.0
Cs8 Cs+1 0.03029 0.041 0.59433 1 0.0
Cs3 Cs+1 0.84664 0.3821 0.79826 1 0.0
Si2 Si-1 0.7458 -0.244 0.4428 1 0.0
O9 O-2 0.4247 0.023 0.7782 1 0.0
Cs5 Cs+1 0.90939 0.5373 0.64932 1 0.0
O2 O-2 1.0908 -0.273 0.6565 1 0.0
O6 O-2 0.5477 -0.201 0.7997 1 0.0
Cs9 Cs+1 0.48219 -0.0041 0.5934 1 0.0
Si3 Si-1 0.84 -0.2202 0.528 1 0.0
Si1 Si-1 0.7523 0.0128 0.4933 1 0.0
O1 O-2 0.9577 0.216 0.696 1 0.0
Si8 Si+4 0.5868 0.2267 0.7169 1 0.0
Si6 Si+4 1.091 -0.2186 0.7223 1 0.0
Cs10 Cs+1 0.6205 0.3619 0.53766 1 0.0
Cs4 Cs+1 0.59773 -0.5231 0.84652 1 0.0
O5 O-2 0 -0.288 0.75 1 0.0
Si5 Si+4 0 0.1077 0.75 1 0.0
O10 O-2 0.5 0.302 0.75 1 0.0
O3 O-2 1.1772 -0.269 0.7625 1 0.0
O7 O-2 0.6775 0.282 0.7482 1 0.0
