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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/08/1540839.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_1540839
loop_
_publ_author_name
'Wannagat, U.'
'Flindt, R.'
'Doerrenbach, F.'
'Buerger, H.'
'Brauer, D.J.'
_publ_section_title
;
 On the crystalline products from the reaction of silicon tetrachloride
 with nitrogen in a glow discharge. Single x-ray structure determination
 of N (Si Cl3)3 and Cl3 Si N (Si Cl2)2 N Si Cl3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              33
_journal_page_last               46
_journal_volume                  572
_journal_year                    1989
_chemical_formula_sum            'Cl9 N Si3'
_chemical_name_systematic        'N (Si Cl3)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.51
_cell_angle_beta                 99.29
_cell_angle_gamma                111.57
_cell_formula_units_Z            2
_cell_length_a                   6.536
_cell_length_b                   8.535
_cell_length_c                   14.136
_cell_volume                     717.458
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wannagat_ZAACAB_1989_1188.cif
_cod_data_source_block           Cl9N1Si3
_cod_original_cell_volume        717.4575
_cod_original_formula_sum        'Cl9 N1 Si3'
_cod_database_code               1540839
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
Si4 Si+4 0.0454 0.8853 0.1661 0.5 0.0
Cl4 Cl-1 0.388 0.0205 0.3815 1 0.0
Cl8 Cl-1 -0.1742 0.7853 0.03955 1 0.0
Si2 Si+4 0.1432 0.7832 0.3629 0.5 0.0
Si1 Si+4 -0.0037 0.6355 0.3538 0.5 0.0
Cl7 Cl-1 -0.1623 0.4154 0.09799 1 0.0
Cl1 Cl-1 -0.0601 0.7728 0.46074 1 0.0
Si3 Si+4 0.1759 0.9418 0.2528 0.5 0.0
Cl6 Cl-1 0.0079 0.0958 0.227 1 0.0
Cl9 Cl-1 -0.522 0.5586 0.1681 1 0.0
Si5 Si+4 -0.2066 0.6287 0.1462 0.5 0.0
Cl5 Cl-1 0.3596 0.9571 0.1452 1 0.0
Cl2 Cl-1 0.2903 0.6141 0.39544 1 0.0
Cl3 Cl-1 -0.2506 0.3987 0.32487 1 0.0
Si6 Si+4 -0.2254 0.537 0.2086 0.5 0.0
N1 N-3 -0.0084 0.7336 0.2477 1 0.0
