#------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/08/8100808.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_8100808
loop_
_publ_author_name
'Schwarz, Ulrich'
_publ_section_title
;
Crystal structure of indium monosulfide, InS, at 7.9 GPa
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              470
_journal_page_last               470
_journal_volume                  217
_journal_year                    2002
_chemical_formula_analytical     InS
_chemical_formula_moiety         InS
_chemical_formula_structural     InS
_chemical_formula_sum            'In S'
_chemical_formula_weight         146.89
_chemical_name_common            'Indium(II) sulfide'
_chemical_name_structure_type    'Indium sulfide'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.880(7)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   3.8630(8)
_cell_length_b                   10.7668(9)
_cell_length_c                   3.8554(7)
_cell_measurement_temperature    295(2)
_cell_volume                     160.33(8)
_pd_proc_ls_prof_R_factor        0.062
_pd_proc_ls_prof_wR_factor       0.120
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100808
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x+1/2,-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_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
In In 0.055(2) 0.1191(4) -.038(2) 1.0 4 e 0 d Uiso 0.0143(3)
S S 0.019(5) 0.359(1) -.001(6) 1.0 4 e 0 d Uiso 0.0139(5)
