#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/66/2106689.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106689
loop_
_publ_author_name
'Griffin, A.M.'
'Sheldrick, G.M.'
_publ_section_title
;
 Beta-tetraphophorus pentasulphide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2738
_journal_page_last               2740
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'P4 S5'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.65
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.389
_cell_length_b                   10.966
_cell_length_c                   6.613
_cell_volume                     417.661
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Griffin_ACBCAR_1975_97.cif
_cod_data_source_block           P4S5
_cod_original_cell_volume        417.6608
_cod_database_code               2106689
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
S3 S-2 0.2231 0.1053 0.5158 1 0.0
S2 S-2 0.7673 0.1053 0.9179 1 0.0
P3 P+2 0.4214 0.1458 0.8575 1 0.0
P2 P+3 0.8706 0.25 0.7714 1 0.0
S1 S-2 0.6449 0.25 0.4219 1 0.0
P1 P+3 0.2851 0.25 0.3388 1 0.0
