#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106498.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_2106498
loop_
_publ_author_name
'Diehl, R.'
'Carpentier, C.D.'
_publ_section_title
;
 The structural chemistry of indium phosphorous chalkogenides
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1097
_journal_page_last               1105
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'In P S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.623
_cell_length_b                   5.623
_cell_length_c                   9.058
_cell_volume                     286.397
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Diehl_ACBCAR_1978_400.cif
_cod_data_source_block           In1P1S4
_cod_original_formula_sum        'In1 P1 S4'
_cod_database_code               2106498
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
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
S1 S-2 0.3057 0.2389 0.1302 1 0.0
In1 In+3 0 0 0 1 0.0
P1 P+5 0 0.5 0.75 1 0.0
