The material structure described by YbGdS3 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing YbS7 pentagonal bipyramids. Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent Gd(1) atoms. In the second S site, S(2) is bonded to three equivalent Yb(1) and two equivalent Gd(1) atoms to form distorted SYb3Gd2 trigonal bipyramids that share corners with eight equivalent S(3)Yb2Gd3 square pyramids, edges with two equivalent S(3)Yb2Gd3 square pyramids, and edges with four equivalent S(2)Yb3Gd2 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Yb(1) and three equivalent Gd(1) atoms to form distorted SYb2Gd3 square pyramids that share corners with eight equivalent S(2)Yb3Gd2 trigonal bipyramids, edges with four equivalent S(3)Yb2Gd3 square pyramids, and edges with two equivalent S(2)Yb3Gd2 trigonal bipyramids. is represented by the CIF card [CIF]
data_YbGdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   10.070
_cell_length_c   11.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.556
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Yb  Yb0  1  0.250  0.182  0.502  1.0
  Yb  Yb1  1  0.250  0.318  0.002  1.0
  Yb  Yb2  1  0.750  0.818  0.498  1.0
  Yb  Yb3  1  0.750  0.682  0.998  1.0
  Gd  Gd4  1  0.750  0.505  0.678  1.0
  Gd  Gd5  1  0.750  0.995  0.178  1.0
  Gd  Gd6  1  0.250  0.495  0.322  1.0
  Gd  Gd7  1  0.250  0.005  0.822  1.0
  S  S8  1  0.250  0.309  0.739  1.0
  S  S9  1  0.250  0.191  0.239  1.0
  S  S10  1  0.750  0.691  0.261  1.0
  S  S11  1  0.750  0.809  0.761  1.0
  S  S12  1  0.750  0.051  0.644  1.0
  S  S13  1  0.750  0.449  0.144  1.0
  S  S14  1  0.250  0.949  0.356  1.0
  S  S15  1  0.250  0.551  0.856  1.0
  S  S16  1  0.250  0.635  0.539  1.0
  S  S17  1  0.250  0.865  0.039  1.0
  S  S18  1  0.750  0.365  0.461  1.0
  S  S19  1  0.750  0.135  0.961  1.0
[/CIF]
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The material structure described by YbGdS3 crystallizes in the orthorhombic Pnma space group. Yb(1) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing YbS7 pentagonal bipyramids. Gd(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Yb(1) and three equivalent Gd(1) atoms. In the second S site, S(2) is bonded to three equivalent Yb(1) and two equivalent Gd(1) atoms to form distorted SYb3Gd2 trigonal bipyramids that share corners with eight equivalent S(3)Yb2Gd3 square pyramids, edges with two equivalent S(3)Yb2Gd3 square pyramids, and edges with four equivalent S(2)Yb3Gd2 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Yb(1) and three equivalent Gd(1) atoms to form distorted SYb2Gd3 square pyramids that share corners with eight equivalent S(2)Yb3Gd2 trigonal bipyramids, edges with four equivalent S(3)Yb2Gd3 square pyramids, and edges with two equivalent S(2)Yb3Gd2 trigonal bipyramids. is represented by the CIF card [CIF]
data_YbGdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   10.070
_cell_length_c   11.110
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.556
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Yb  Yb0  1  0.250  0.182  0.502  1.0
  Yb  Yb1  1  0.250  0.318  0.002  1.0
  Yb  Yb2  1  0.750  0.818  0.498  1.0
  Yb  Yb3  1  0.750  0.682  0.998  1.0
  Gd  Gd4  1  0.750  0.505  0.678  1.0
  Gd  Gd5  1  0.750  0.995  0.178  1.0
  Gd  Gd6  1  0.250  0.495  0.322  1.0
  Gd  Gd7  1  0.250  0.005  0.822  1.0
  S  S8  1  0.250  0.309  0.739  1.0
  S  S9  1  0.250  0.191  0.239  1.0
  S  S10  1  0.750  0.691  0.261  1.0
  S  S11  1  0.750  0.809  0.761  1.0
  S  S12  1  0.750  0.051  0.644  1.0
  S  S13  1  0.750  0.449  0.144  1.0
  S  S14  1  0.250  0.949  0.356  1.0
  S  S15  1  0.250  0.551  0.856  1.0
  S  S16  1  0.250  0.635  0.539  1.0
  S  S17  1  0.250  0.865  0.039  1.0
  S  S18  1  0.750  0.365  0.461  1.0
  S  S19  1  0.750  0.135  0.961  1.0
[/CIF]
.