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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015463.cif $
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#
# 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_9015463
loop_
_publ_author_name
'Bourgault, M.'
'Fourcade, R.'
'Mascherpa, G.'
_publ_section_title
;
 Mise en evidence de l'entite Sb2 F4 O dans un compose d'addition
 moleculaire avec l'uree etude structurale de ((N H2)2 C O)2 Sb2 F4 O
 _cod_database_code 1008123
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              214
_journal_page_last               220
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'C2 F4 N4 O3 Sb2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.32
_cell_angle_gamma                90
_cell_length_a                   19.98
_cell_length_b                   8.152
_cell_length_c                   15.089
_cell_volume                     2076.900
_database_code_amcsd             0016065
_exptl_crystal_density_diffrn    2.863
_[local]_cod_chemical_formula_sum_orig 'Sb2 F4 O3 N4 C2'
_cod_database_code               9015463
_amcsd_formula_title             'F4 H8 N4 O3 Sb2'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb1 0.00360 0.01640 0.02460 0.00110 0.01290 -0.00180
Sb2 0.00430 0.01680 0.02100 0.00070 0.01220 0.00590
F1 0.00700 0.02450 0.00460 0.00640 0.03900 -0.01400
F2 0.00660 0.02900 0.02400 -0.00500 0.01400 0.00760
F3 0.01000 0.01400 0.05600 -0.00900 0.04600 -0.02100
F4 0.00640 0.04100 0.03800 -0.00150 0.03800 -0.02200
O1 0.00410 0.01900 0.02000 -0.00600 0.00800 0.00100
O2 0.00680 0.01600 0.04700 -0.00600 0.03700 -0.01400
O3 0.00620 0.02100 0.06200 -0.01100 0.03900 0.01200
N1 0.00910 0.02500 0.05500 0.00600 0.04800 0.00500
N2 0.00980 0.03100 0.04400 -0.02400 0.05500 -0.00600
N3 0.00840 0.03400 0.06600 0.01000 0.06500 0.00300
N4 0.00840 0.03000 0.05800 0.02200 0.04800 0.01100
C1 0.00510 0.02700 0.02500 0.00300 0.02600 -0.00700
C2 0.00670 0.01900 0.02300 0.01000 0.01100 0.00300
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1 0.17936 0.29998 0.34455
Sb2 0.99720 0.40868 0.12234
F1 0.12750 0.88700 0.86990
F2 0.19610 0.61470 0.97560
F3 0.47090 0.86070 0.62770
F4 0.07480 0.49700 0.59580
O1 0.07630 0.58980 0.77400
O2 0.08508 0.17100 0.14430
O3 0.23660 0.55900 0.34690
N1 0.33300 0.74400 0.63200
N2 0.11700 0.09100 0.63300
N3 0.99600 0.96400 0.37100
N4 0.21200 0.31200 0.11500
C1 0.27000 0.20500 0.13300
C2 0.06900 0.98100 0.63600
_journal_paper_doi 10.1016/0022-4596(81)90159-6