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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008023.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_1008023
loop_
_publ_author_name
'Heger, G'
'Klein, S'
'Pintschovius, L'
'Kahlert, H'
_publ_section_title
;
Determination of the crystal structure of (S N)ₓ by neutron
diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              341
_journal_page_last               347
_journal_paper_doi               10.1016/0022-4596(78)90082-8
_journal_volume                  23
_journal_year                    1978
_chemical_formula_structural     'S N'
_chemical_formula_sum            'N S'
_chemical_name_systematic        'Sulfur nitride'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.0(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.11(1)
_cell_length_b                   4.43(1)
_cell_length_c                   7.63(1)
_cell_volume                     130.5
_refine_ls_R_factor_all          0.109
_cod_database_code               1008023
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z
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
_atom_site_calc_flag
S1 S3+ 4 e 0.175(2) 0.789(2) 0.343(2) 0.90(1) 0 d
N1 N3- 4 e 0.136(1) 0.432(1) 0.321(1) 0.90(1) 0 d
N2 N3- 4 e 0.27(1) 0.05(1) 0.37(1) 0.05(1) 0 d
S2 S3+ 4 e 0.27(1) 0.05(1) 0.37(1) 0.05(1) 0 d
N3 N3- 4 e 0.06(4) 0.76(1) 0.39(2) 0.05(1) 0 d
S3 S3+ 4 e 0.06(4) 0.76(1) 0.39(2) 0.05(1) 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
S3+ 3.000
N3- -3.000
