The material structure described by Ba4AgInS6 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(6), two equivalent S(2), and two equivalent S(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one S(2), one S(4), one S(6), two equivalent S(1), and two equivalent S(3) atoms. Ag(1) is bonded to one S(1), one S(4), one S(5), and one S(6) atom to form AgS4 tetrahedra that share corners with two equivalent In(1)S4 tetrahedra. In(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form InS4 tetrahedra that share corners with two equivalent Ag(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(3) is bonded to one Ba(1), one Ba(2), one Ba(3), two equivalent Ba(4), and one In(1) atom to form distorted SBa5In octahedra that share  a cornercorner with one S(2)Ba5In octahedra, corners with five equivalent S(5)Ba5Ag octahedra,  an edgeedge with one S(3)Ba5In octahedra, edges with three equivalent S(6)Ba5Ag octahedra, and faces with two equivalent S(2)Ba5In octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second S site, S(4) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(4), two equivalent Ba(3), one Ag(1), and one In(1) atom. In the third S site, S(5) is bonded to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Ag(1) atom to form SBa5Ag octahedra that share  a cornercorner with one S(6)Ba5Ag octahedra, corners with four equivalent S(2)Ba5In octahedra, corners with five equivalent S(3)Ba5In octahedra, edges with two equivalent S(5)Ba5Ag octahedra, edges with two equivalent S(2)Ba5In octahedra, and faces with two equivalent S(6)Ba5Ag octahedra. The corner-sharing octahedral tilt angles range from 20-56°. In the fourth S site, S(6) is bonded to one Ba(1), one Ba(2), one Ba(4), two equivalent Ba(3), and one Ag(1) atom to form distorted SBa5Ag octahedra that share  a cornercorner with one S(5)Ba5Ag octahedra, corners with five equivalent S(2)Ba5In octahedra,  an edgeedge with one S(6)Ba5Ag octahedra, edges with three equivalent S(3)Ba5In octahedra, and faces with two equivalent S(5)Ba5Ag octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth S site, S(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(4), one Ag(1), and one In(1) atom. In the sixth S site, S(2) is bonded to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one In(1) atom to form SBa5In octahedra that share  a cornercorner with one S(3)Ba5In octahedra, corners with four equivalent S(5)Ba5Ag octahedra, corners with five equivalent S(6)Ba5Ag octahedra, edges with two equivalent S(5)Ba5Ag octahedra, edges with two equivalent S(2)Ba5In octahedra, and faces with two equivalent S(3)Ba5In octahedra. The corner-sharing octahedral tilt angles range from 20-55°. is represented by the CIF card [CIF]
data_Ba4InAgS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.005
_cell_length_b   8.833
_cell_length_c   18.002
_cell_angle_alpha   76.061
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1389.728
_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
  Ba  Ba0  1  0.580  0.783  0.714  1.0
  Ba  Ba1  1  0.080  0.217  0.786  1.0
  Ba  Ba2  1  0.420  0.217  0.286  1.0
  Ba  Ba3  1  0.920  0.783  0.214  1.0
  Ba  Ba4  1  0.577  0.254  0.715  1.0
  Ba  Ba5  1  0.077  0.746  0.785  1.0
  Ba  Ba6  1  0.423  0.746  0.285  1.0
  Ba  Ba7  1  0.923  0.254  0.215  1.0
  Ba  Ba8  1  0.758  0.903  0.959  1.0
  Ba  Ba9  1  0.258  0.097  0.541  1.0
  Ba  Ba10  1  0.242  0.097  0.041  1.0
  Ba  Ba11  1  0.742  0.903  0.459  1.0
  Ba  Ba12  1  0.266  0.610  0.540  1.0
  Ba  Ba13  1  0.766  0.390  0.960  1.0
  Ba  Ba14  1  0.734  0.390  0.460  1.0
  Ba  Ba15  1  0.234  0.610  0.040  1.0
  In  In16  1  0.881  0.556  0.632  1.0
  In  In17  1  0.381  0.444  0.868  1.0
  In  In18  1  0.119  0.444  0.368  1.0
  In  In19  1  0.619  0.556  0.132  1.0
  Ag  Ag20  1  0.372  0.938  0.866  1.0
  Ag  Ag21  1  0.872  0.062  0.634  1.0
  Ag  Ag22  1  0.628  0.062  0.134  1.0
  Ag  Ag23  1  0.128  0.938  0.366  1.0
  S  S24  1  0.014  0.336  0.597  1.0
  S  S25  1  0.514  0.664  0.903  1.0
  S  S26  1  0.986  0.664  0.403  1.0
  S  S27  1  0.486  0.336  0.097  1.0
  S  S28  1  0.820  0.488  0.771  1.0
  S  S29  1  0.320  0.512  0.729  1.0
  S  S30  1  0.180  0.512  0.229  1.0
  S  S31  1  0.680  0.488  0.271  1.0
  S  S32  1  0.629  0.590  0.574  1.0
  S  S33  1  0.129  0.410  0.926  1.0
  S  S34  1  0.371  0.410  0.426  1.0
  S  S35  1  0.871  0.590  0.074  1.0
  S  S36  1  0.010  0.815  0.598  1.0
  S  S37  1  0.510  0.185  0.902  1.0
  S  S38  1  0.990  0.185  0.402  1.0
  S  S39  1  0.490  0.815  0.098  1.0
  S  S40  1  0.812  0.987  0.779  1.0
  S  S41  1  0.312  0.013  0.721  1.0
  S  S42  1  0.188  0.013  0.221  1.0
  S  S43  1  0.688  0.987  0.279  1.0
  S  S44  1  0.614  0.095  0.570  1.0
  S  S45  1  0.114  0.905  0.930  1.0
  S  S46  1  0.386  0.905  0.430  1.0
  S  S47  1  0.886  0.095  0.070  1.0
[/CIF]
.
The material structure described by Ba4AgInS6 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(6), two equivalent S(2), and two equivalent S(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one S(3), one S(4), one S(6), two equivalent S(2), and two equivalent S(5) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one S(2), one S(4), one S(6), two equivalent S(1), and two equivalent S(3) atoms. Ag(1) is bonded to one S(1), one S(4), one S(5), and one S(6) atom to form AgS4 tetrahedra that share corners with two equivalent In(1)S4 tetrahedra. In(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form InS4 tetrahedra that share corners with two equivalent Ag(1)S4 tetrahedra. There are six inequivalent S sites. In the first S site, S(3) is bonded to one Ba(1), one Ba(2), one Ba(3), two equivalent Ba(4), and one In(1) atom to form distorted SBa5In octahedra that share  a cornercorner with one S(2)Ba5In octahedra, corners with five equivalent S(5)Ba5Ag octahedra,  an edgeedge with one S(3)Ba5In octahedra, edges with three equivalent S(6)Ba5Ag octahedra, and faces with two equivalent S(2)Ba5In octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second S site, S(4) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(4), two equivalent Ba(3), one Ag(1), and one In(1) atom. In the third S site, S(5) is bonded to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Ag(1) atom to form SBa5Ag octahedra that share  a cornercorner with one S(6)Ba5Ag octahedra, corners with four equivalent S(2)Ba5In octahedra, corners with five equivalent S(3)Ba5In octahedra, edges with two equivalent S(5)Ba5Ag octahedra, edges with two equivalent S(2)Ba5In octahedra, and faces with two equivalent S(6)Ba5Ag octahedra. The corner-sharing octahedral tilt angles range from 20-56°. In the fourth S site, S(6) is bonded to one Ba(1), one Ba(2), one Ba(4), two equivalent Ba(3), and one Ag(1) atom to form distorted SBa5Ag octahedra that share  a cornercorner with one S(5)Ba5Ag octahedra, corners with five equivalent S(2)Ba5In octahedra,  an edgeedge with one S(6)Ba5Ag octahedra, edges with three equivalent S(3)Ba5In octahedra, and faces with two equivalent S(5)Ba5Ag octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth S site, S(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(4), one Ag(1), and one In(1) atom. In the sixth S site, S(2) is bonded to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one In(1) atom to form SBa5In octahedra that share  a cornercorner with one S(3)Ba5In octahedra, corners with four equivalent S(5)Ba5Ag octahedra, corners with five equivalent S(6)Ba5Ag octahedra, edges with two equivalent S(5)Ba5Ag octahedra, edges with two equivalent S(2)Ba5In octahedra, and faces with two equivalent S(3)Ba5In octahedra. The corner-sharing octahedral tilt angles range from 20-55°. is represented by the CIF card [CIF]
data_Ba4InAgS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.005
_cell_length_b   8.833
_cell_length_c   18.002
_cell_angle_alpha   76.061
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1389.728
_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
  Ba  Ba0  1  0.580  0.783  0.714  1.0
  Ba  Ba1  1  0.080  0.217  0.786  1.0
  Ba  Ba2  1  0.420  0.217  0.286  1.0
  Ba  Ba3  1  0.920  0.783  0.214  1.0
  Ba  Ba4  1  0.577  0.254  0.715  1.0
  Ba  Ba5  1  0.077  0.746  0.785  1.0
  Ba  Ba6  1  0.423  0.746  0.285  1.0
  Ba  Ba7  1  0.923  0.254  0.215  1.0
  Ba  Ba8  1  0.758  0.903  0.959  1.0
  Ba  Ba9  1  0.258  0.097  0.541  1.0
  Ba  Ba10  1  0.242  0.097  0.041  1.0
  Ba  Ba11  1  0.742  0.903  0.459  1.0
  Ba  Ba12  1  0.266  0.610  0.540  1.0
  Ba  Ba13  1  0.766  0.390  0.960  1.0
  Ba  Ba14  1  0.734  0.390  0.460  1.0
  Ba  Ba15  1  0.234  0.610  0.040  1.0
  In  In16  1  0.881  0.556  0.632  1.0
  In  In17  1  0.381  0.444  0.868  1.0
  In  In18  1  0.119  0.444  0.368  1.0
  In  In19  1  0.619  0.556  0.132  1.0
  Ag  Ag20  1  0.372  0.938  0.866  1.0
  Ag  Ag21  1  0.872  0.062  0.634  1.0
  Ag  Ag22  1  0.628  0.062  0.134  1.0
  Ag  Ag23  1  0.128  0.938  0.366  1.0
  S  S24  1  0.014  0.336  0.597  1.0
  S  S25  1  0.514  0.664  0.903  1.0
  S  S26  1  0.986  0.664  0.403  1.0
  S  S27  1  0.486  0.336  0.097  1.0
  S  S28  1  0.820  0.488  0.771  1.0
  S  S29  1  0.320  0.512  0.729  1.0
  S  S30  1  0.180  0.512  0.229  1.0
  S  S31  1  0.680  0.488  0.271  1.0
  S  S32  1  0.629  0.590  0.574  1.0
  S  S33  1  0.129  0.410  0.926  1.0
  S  S34  1  0.371  0.410  0.426  1.0
  S  S35  1  0.871  0.590  0.074  1.0
  S  S36  1  0.010  0.815  0.598  1.0
  S  S37  1  0.510  0.185  0.902  1.0
  S  S38  1  0.990  0.185  0.402  1.0
  S  S39  1  0.490  0.815  0.098  1.0
  S  S40  1  0.812  0.987  0.779  1.0
  S  S41  1  0.312  0.013  0.721  1.0
  S  S42  1  0.188  0.013  0.221  1.0
  S  S43  1  0.688  0.987  0.279  1.0
  S  S44  1  0.614  0.095  0.570  1.0
  S  S45  1  0.114  0.905  0.930  1.0
  S  S46  1  0.386  0.905  0.430  1.0
  S  S47  1  0.886  0.095  0.070  1.0
[/CIF]
.