The compound described by Ba5SiO4Cl6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(2), one Cl(3), one Cl(4), two equivalent Cl(2), and three equivalent Cl(1) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Si(1) atom to form distorted OBa3Si trigonal pyramids that share corners with four equivalent Cl(2)Ba5 trigonal bipyramids, edges with two equivalent Cl(4)Ba6 octahedra,  an edgeedge with one Cl(2)Ba5 trigonal bipyramid, and  an edgeedge with one O(2)Ba3Si trigonal pyramid. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ba(3) atoms to form ClBa6 octahedra that share corners with two equivalent Cl(4)Ba6 octahedra, corners with six equivalent Cl(2)Ba5 trigonal bipyramids, edges with four equivalent O(2)Ba3Si trigonal pyramids, and faces with two equivalent Cl(2)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the second Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), and three equivalent Ba(3) atoms. In the third Cl site, Cl(2) is bonded to one Ba(2), two equivalent Ba(1), and two equivalent Ba(3) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent Cl(4)Ba6 octahedra,  a cornercorner with one Cl(2)Ba5 trigonal bipyramid, corners with four equivalent O(2)Ba3Si trigonal pyramids, edges with two equivalent Cl(2)Ba5 trigonal bipyramids,  an edgeedge with one O(2)Ba3Si trigonal pyramid, and  a faceface with one Cl(4)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 38-67°. In the fourth Cl site, Cl(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(3) atoms. is represented by the CIF file [CIF]
data_Ba5Si(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.828
_cell_length_b   8.828
_cell_length_c   11.818
_cell_angle_alpha   82.165
_cell_angle_beta   82.165
_cell_angle_gamma   114.693
_symmetry_Int_Tables_number   1
_cell_volume   809.736
_cell_formula_units_Z   2
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  0.681  0.426  0.520  1.0
  Ba  Ba1  1  0.799  0.201  0.250  1.0
  Ba  Ba2  1  0.770  0.925  0.633  1.0
  Ba  Ba3  1  0.075  0.230  0.867  1.0
  Ba  Ba4  1  0.319  0.574  0.480  1.0
  Ba  Ba5  1  0.201  0.799  0.750  1.0
  Ba  Ba6  1  0.925  0.770  0.133  1.0
  Ba  Ba7  1  0.230  0.075  0.367  1.0
  Ba  Ba8  1  0.426  0.681  0.020  1.0
  Ba  Ba9  1  0.574  0.319  0.980  1.0
  Si  Si10  1  0.422  0.578  0.750  1.0
  Si  Si11  1  0.578  0.422  0.250  1.0
  Cl  Cl12  1  0.204  0.147  0.632  1.0
  Cl  Cl13  1  0.019  0.718  0.549  1.0
  Cl  Cl14  1  0.718  0.019  0.049  1.0
  Cl  Cl15  1  0.796  0.853  0.368  1.0
  Cl  Cl16  1  0.853  0.796  0.868  1.0
  Cl  Cl17  1  0.759  0.241  0.750  1.0
  Cl  Cl18  1  0.981  0.282  0.451  1.0
  Cl  Cl19  1  0.147  0.204  0.132  1.0
  Cl  Cl20  1  0.241  0.759  0.250  1.0
  Cl  Cl21  1  0.000  0.500  0.000  1.0
  Cl  Cl22  1  0.282  0.981  0.951  1.0
  Cl  Cl23  1  0.500  0.000  0.500  1.0
  O  O24  1  0.402  0.443  0.867  1.0
  O  O25  1  0.235  0.523  0.715  1.0
  O  O26  1  0.557  0.598  0.633  1.0
  O  O27  1  0.523  0.235  0.215  1.0
  O  O28  1  0.477  0.765  0.785  1.0
  O  O29  1  0.443  0.402  0.367  1.0
  O  O30  1  0.765  0.477  0.285  1.0
  O  O31  1  0.598  0.557  0.133  1.0
[/CIF]
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The compound described by Ba5SiO4Cl6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(1), one O(2), one Cl(3), one Cl(4), two equivalent Cl(2), and three equivalent Cl(1) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Si(1) atom to form distorted OBa3Si trigonal pyramids that share corners with four equivalent Cl(2)Ba5 trigonal bipyramids, edges with two equivalent Cl(4)Ba6 octahedra,  an edgeedge with one Cl(2)Ba5 trigonal bipyramid, and  an edgeedge with one O(2)Ba3Si trigonal pyramid. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ba(3) atoms to form ClBa6 octahedra that share corners with two equivalent Cl(4)Ba6 octahedra, corners with six equivalent Cl(2)Ba5 trigonal bipyramids, edges with four equivalent O(2)Ba3Si trigonal pyramids, and faces with two equivalent Cl(2)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 25°. In the second Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), and three equivalent Ba(3) atoms. In the third Cl site, Cl(2) is bonded to one Ba(2), two equivalent Ba(1), and two equivalent Ba(3) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent Cl(4)Ba6 octahedra,  a cornercorner with one Cl(2)Ba5 trigonal bipyramid, corners with four equivalent O(2)Ba3Si trigonal pyramids, edges with two equivalent Cl(2)Ba5 trigonal bipyramids,  an edgeedge with one O(2)Ba3Si trigonal pyramid, and  a faceface with one Cl(4)Ba6 octahedra. The corner-sharing octahedral tilt angles range from 38-67°. In the fourth Cl site, Cl(3) is bonded in a distorted see-saw-like geometry to two equivalent Ba(1) and two equivalent Ba(3) atoms. is represented by the CIF file [CIF]
data_Ba5Si(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.828
_cell_length_b   8.828
_cell_length_c   11.818
_cell_angle_alpha   82.165
_cell_angle_beta   82.165
_cell_angle_gamma   114.693
_symmetry_Int_Tables_number   1
_cell_volume   809.736
_cell_formula_units_Z   2
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  0.681  0.426  0.520  1.0
  Ba  Ba1  1  0.799  0.201  0.250  1.0
  Ba  Ba2  1  0.770  0.925  0.633  1.0
  Ba  Ba3  1  0.075  0.230  0.867  1.0
  Ba  Ba4  1  0.319  0.574  0.480  1.0
  Ba  Ba5  1  0.201  0.799  0.750  1.0
  Ba  Ba6  1  0.925  0.770  0.133  1.0
  Ba  Ba7  1  0.230  0.075  0.367  1.0
  Ba  Ba8  1  0.426  0.681  0.020  1.0
  Ba  Ba9  1  0.574  0.319  0.980  1.0
  Si  Si10  1  0.422  0.578  0.750  1.0
  Si  Si11  1  0.578  0.422  0.250  1.0
  Cl  Cl12  1  0.204  0.147  0.632  1.0
  Cl  Cl13  1  0.019  0.718  0.549  1.0
  Cl  Cl14  1  0.718  0.019  0.049  1.0
  Cl  Cl15  1  0.796  0.853  0.368  1.0
  Cl  Cl16  1  0.853  0.796  0.868  1.0
  Cl  Cl17  1  0.759  0.241  0.750  1.0
  Cl  Cl18  1  0.981  0.282  0.451  1.0
  Cl  Cl19  1  0.147  0.204  0.132  1.0
  Cl  Cl20  1  0.241  0.759  0.250  1.0
  Cl  Cl21  1  0.000  0.500  0.000  1.0
  Cl  Cl22  1  0.282  0.981  0.951  1.0
  Cl  Cl23  1  0.500  0.000  0.500  1.0
  O  O24  1  0.402  0.443  0.867  1.0
  O  O25  1  0.235  0.523  0.715  1.0
  O  O26  1  0.557  0.598  0.633  1.0
  O  O27  1  0.523  0.235  0.215  1.0
  O  O28  1  0.477  0.765  0.785  1.0
  O  O29  1  0.443  0.402  0.367  1.0
  O  O30  1  0.765  0.477  0.285  1.0
  O  O31  1  0.598  0.557  0.133  1.0
[/CIF]
.