#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/8/8101056.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_8101056
_journal_name_full  'Zeitschrift fur Kristallographie - NCS'
_journal_year      2001
_publ_section_title
;
Reanalysis of the Single-Crystal Structure of Gallium Sulfide
;
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_[local]_cod_cif_authors_sg_H-M  'C c'
loop_
_publ_author_name
  'Jones, Camille Y.'
  'Bryan, Jeffrey C.'
  'Kirschbaum, Kristin'
  'Edwards, Jimmie G.'
_chemical_formula_moiety  'Ga2 S3'
_chemical_formula_structural  'Ga2 S3'
_chemical_formula_sum  'Ga2 S3'
_chemical_formula_weight  235.6
_symmetry_cell_setting  Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  x,-y,1/2+z
  1/2+x,1/2+y,z
  1/2+x,1/2-y,1/2+z
_cell_length_a  11.107(2)
_cell_length_b  6.395(1)
_cell_length_c  7.021(1)
_cell_angle_alpha  90
_cell_angle_beta  121.17(3)
_cell_angle_gamma  90
_cell_volume  426.70(18)
_cell_formula_units_Z  4
_cell_measurement_temperature  294
_exptl_crystal_density_diffrn  3.67
_diffrn_ambient_temperature  294
_refine_diff_density_rms  0.33
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
Ga1 Ga Uani 0.04213(8) 0.40234(19) 0.12512(11) 1.000 0.0098(4) . .
Ga2 Ga Uani 0.20026(9) 0.93206(18) 0.11559(13) 1.000 0.0099(4) . .
S1 S Uani -0.0050(3) 1.0861(4) -0.0162(6) 1.000 0.0146(7) . .
S2 S Uani 0.3378(3) 0.9075(3) 0.4999(4) 1.000 0.0097(8) . .
S3 S Uani 0.1741(3) 0.5840(3) 0.0084(4) 1.000 0.0095(7) . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ga1 0.0068(7) 0.0130(6) 0.0096(7) 0.0005(4) 0.0042(5) 0.0007(4)
Ga2 0.0065(7) 0.0133(6) 0.0102(7) -0.0012(4) 0.0045(5) -0.0003(4)
S1 0.0065(12) 0.0160(13) 0.0182(13) -0.0048(9) 0.0043(10) -0.0001(8)
S2 0.0041(12) 0.0153(12) 0.0098(15) -0.0019(8) 0.0036(11) -0.0009(8)
S3 0.0084(13) 0.0121(12) 0.0095(12) -0.0010(8) 0.0056(10) -0.0017(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
  Ga1  S3  2.327(3)  .  .
yes
  Ga1  S1  2.193(3)  .  1_545
yes
  Ga1  S3  2.305(3)  .  2_565
yes
  Ga1  S2  2.310(3)  .  4_464
yes
  Ga2  S1  2.200(4)  .  .
yes
  Ga2  S2  2.318(3)  .  .
yes
  Ga2  S3  2.319(2)  .  .
yes
  Ga2  S2  2.309(3)  .  2_574
yes
_cod_database_code 8101056