data_38263-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                38263
_audit_creation_date               1983/12/31
_chemical_name_systematic          Cyclo-decasulfur
_chemical_formula_structural       S10
_chemical_formula_sum              S10
_publ_section_title
;
X-ray structural analyses of cyclodecasulfur S10 and of 
cyclohexasulfur-cyclodecasulfur molecular addition compound S6 S10
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, 
Organische Chemie (33,1978-41,1986)
;
 1983 38 1548 1556 ZNBAD2
_publ_author_name
;
Steudel, R.;Steidel, J.;Reinhardt, R.
;
_cell_length_a                     12.533(9)
_cell_length_b                     10.275(9)
_cell_length_c                     12.776(9)
_cell_angle_alpha                  90.
_cell_angle_beta                   37.98(2)
_cell_angle_gamma                  90.
_cell_volume                       1012.46
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_refine_ls_R_factor_all            0.039
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x, -y, z+1/2'
  2	'-x, -y, -z'
  3	'-x, y, -z+1/2'
  4	'x, y, z'
  5	'x+1/2, -y+1/2, z+1/2'
  6	'-x+1/2, -y+1/2, -z'
  7	'-x+1/2, y+1/2, -z+1/2'
  8	'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
S0+	0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
S1 S0+ 8 f 0.5959(1) 0.2878(1) 0.7308(1) 1. 0 
S2 S0+ 8 f 0.7609(1) 0.4401(1) 0.5640(1) 1. 0 
S3 S0+ 8 f 0.7657(1) 0.5517(1) 0.6931(1) 1. 0 
S4 S0+ 8 f 0.5457(1) 0.6627(1) 0.8726(1) 1. 0 
S5 S0+ 8 f 0.5947(1) 0.8144(1) 0.7321(1) 1. 0 

loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_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
S1 S0+ 0.0254(3) 0.0194(3) 0.0326(3) -.0007(2) -.0236 0.0036(2)
S2 S0+ 0.0218(3) 0.0201(4) 0.0289(3) -.0001(2) -.0182 -.0006(2)
S3 S0+ 0.0264(3) 0.0253(3) 0.0437(4) 0.0034(3) -.0297 -.0044(3)
S4 S0+ 0.0263(3) 0.0314(3) 0.0267(3) 0.0046(3) -.0216 -.0031(2)
S5 S0+ 0.0263(3) 0.0209(3) 0.0355(3) -.0030(2) -.0251 0.0003(2)
#End of data_38263-ICSD


