#------------------------------------------------------------------------------
#$Date: 2015-07-13 21:08:58 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150666 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106499.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_2106499
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            'In4 P6 S18'
_chemical_name_systematic        'In4 (P2 S6)3'
_space_group_IT_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                 107.67
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.842
_cell_length_b                   10.528
_cell_length_c                   18.266
_cell_volume                     1253.671
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Diehl_ACBCAR_1978_406.cif
_cod_data_source_block           In4P6S18
_cod_database_code               2106499
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
S8 S-2 0.7482 0.3426 0.4186 1 0.0
S3 S-2 0.741 0.3468 0.0862 1 0.0
S9 S-2 0.2476 0.1735 0.4162 1 0.0
In2 In+3 0.0017 0.3495 0.3237 1 0.0
S5 S-2 0.7412 0.174 0.2543 1 0.0
P3 P+4 0.1702 0.008 0.3538 1 0.0
S7 S-2 0.2454 0.5045 0.0837 1 0.0
S1 S-2 0.2462 0.5104 0.418 1 0.0
P2 P+4 0.1697 0.5129 0.1851 1 0.0
S2 S-2 0.2622 0.155 0.0847 1 0.0
S6 S-2 0.261 0.351 0.2445 1 0.0
In1 In+3 0.0024 0.3199 0.012 1 0.0
S4 S-2 0.2523 0.0173 0.2567 1 0.0
P1 P+4 0.1706 0.0023 0.0161 1 0.0
