The material described by Ba5(OsO5)3Cl crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(2), three equivalent O(3), four equivalent O(1), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Os(1) is bonded in a distorted trigonal bipyramidal geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), two equivalent Ba(1), and one Os(1) atom to form distorted OBa3Os tetrahedra that share corners with two equivalent Cl(1)Ba6 octahedra, corners with six equivalent O(2)Ba3Os tetrahedra, corners with seven equivalent O(1)Ba3Os tetrahedra,  an edgeedge with one Cl(1)Ba6 octahedra,  an edgeedge with one O(1)Ba3Os tetrahedra, and edges with three equivalent O(2)Ba3Os tetrahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(2), and one Os(1) atom to form distorted OBa3Os tetrahedra that share corners with two equivalent Cl(1)Ba6 octahedra, corners with six equivalent O(1)Ba3Os tetrahedra, corners with six equivalent O(2)Ba3Os tetrahedra, edges with three equivalent O(1)Ba3Os tetrahedra, and edges with three equivalent O(2)Ba3Os tetrahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Os(1) atom. Cl(1) is bonded to six equivalent Ba(1) atoms to form ClBa6 octahedra that share corners with twelve equivalent O(1)Ba3Os tetrahedra, corners with twelve equivalent O(2)Ba3Os tetrahedra, edges with six equivalent O(1)Ba3Os tetrahedra, and faces with two equivalent Cl(1)Ba6 octahedra. is represented by the CIF card [CIF]
data_Ba5Os3ClO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.115
_cell_length_b   11.115
_cell_length_c   7.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   853.313
_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  0.000  0.265  0.768  1.0
  Ba  Ba1  1  0.000  0.735  0.268  1.0
  Ba  Ba2  1  0.265  0.265  0.268  1.0
  Ba  Ba3  1  0.735  0.000  0.268  1.0
  Ba  Ba4  1  0.265  0.000  0.768  1.0
  Ba  Ba5  1  0.667  0.333  0.504  1.0
  Ba  Ba6  1  0.735  0.735  0.768  1.0
  Ba  Ba7  1  0.333  0.667  0.504  1.0
  Ba  Ba8  1  0.667  0.333  0.004  1.0
  Ba  Ba9  1  0.333  0.667  0.004  1.0
  Os  Os10  1  0.388  0.000  0.215  1.0
  Os  Os11  1  0.000  0.612  0.715  1.0
  Os  Os12  1  0.612  0.612  0.215  1.0
  Os  Os13  1  0.388  0.388  0.715  1.0
  Os  Os14  1  0.000  0.388  0.215  1.0
  Os  Os15  1  0.612  0.000  0.715  1.0
  Cl  Cl16  1  0.000  0.000  0.039  1.0
  Cl  Cl17  1  0.000  0.000  0.539  1.0
  O  O18  1  0.257  0.869  0.069  1.0
  O  O19  1  0.554  0.424  0.247  1.0
  O  O20  1  0.389  0.131  0.069  1.0
  O  O21  1  0.870  0.424  0.747  1.0
  O  O22  1  0.446  0.576  0.747  1.0
  O  O23  1  0.554  0.130  0.747  1.0
  O  O24  1  0.576  0.446  0.747  1.0
  O  O25  1  0.294  0.000  0.390  1.0
  O  O26  1  0.131  0.389  0.069  1.0
  O  O27  1  0.294  0.294  0.890  1.0
  O  O28  1  0.000  0.706  0.890  1.0
  O  O29  1  0.706  0.000  0.890  1.0
  O  O30  1  0.424  0.554  0.247  1.0
  O  O31  1  0.706  0.706  0.390  1.0
  O  O32  1  0.000  0.294  0.390  1.0
  O  O33  1  0.130  0.554  0.747  1.0
  O  O34  1  0.611  0.869  0.569  1.0
  O  O35  1  0.389  0.257  0.569  1.0
  O  O36  1  0.743  0.131  0.569  1.0
  O  O37  1  0.869  0.257  0.069  1.0
  O  O38  1  0.257  0.389  0.569  1.0
  O  O39  1  0.870  0.446  0.247  1.0
  O  O40  1  0.611  0.743  0.069  1.0
  O  O41  1  0.130  0.576  0.247  1.0
  O  O42  1  0.446  0.870  0.247  1.0
  O  O43  1  0.743  0.611  0.069  1.0
  O  O44  1  0.131  0.743  0.569  1.0
  O  O45  1  0.576  0.130  0.247  1.0
  O  O46  1  0.424  0.870  0.747  1.0
  O  O47  1  0.869  0.611  0.569  1.0
[/CIF]
.
The material described by Ba5(OsO5)3Cl crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(2), three equivalent O(3), four equivalent O(1), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Os(1) is bonded in a distorted trigonal bipyramidal geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), two equivalent Ba(1), and one Os(1) atom to form distorted OBa3Os tetrahedra that share corners with two equivalent Cl(1)Ba6 octahedra, corners with six equivalent O(2)Ba3Os tetrahedra, corners with seven equivalent O(1)Ba3Os tetrahedra,  an edgeedge with one Cl(1)Ba6 octahedra,  an edgeedge with one O(1)Ba3Os tetrahedra, and edges with three equivalent O(2)Ba3Os tetrahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(2), and one Os(1) atom to form distorted OBa3Os tetrahedra that share corners with two equivalent Cl(1)Ba6 octahedra, corners with six equivalent O(1)Ba3Os tetrahedra, corners with six equivalent O(2)Ba3Os tetrahedra, edges with three equivalent O(1)Ba3Os tetrahedra, and edges with three equivalent O(2)Ba3Os tetrahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Os(1) atom. Cl(1) is bonded to six equivalent Ba(1) atoms to form ClBa6 octahedra that share corners with twelve equivalent O(1)Ba3Os tetrahedra, corners with twelve equivalent O(2)Ba3Os tetrahedra, edges with six equivalent O(1)Ba3Os tetrahedra, and faces with two equivalent Cl(1)Ba6 octahedra. is represented by the CIF card [CIF]
data_Ba5Os3ClO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.115
_cell_length_b   11.115
_cell_length_c   7.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   853.313
_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  0.000  0.265  0.768  1.0
  Ba  Ba1  1  0.000  0.735  0.268  1.0
  Ba  Ba2  1  0.265  0.265  0.268  1.0
  Ba  Ba3  1  0.735  0.000  0.268  1.0
  Ba  Ba4  1  0.265  0.000  0.768  1.0
  Ba  Ba5  1  0.667  0.333  0.504  1.0
  Ba  Ba6  1  0.735  0.735  0.768  1.0
  Ba  Ba7  1  0.333  0.667  0.504  1.0
  Ba  Ba8  1  0.667  0.333  0.004  1.0
  Ba  Ba9  1  0.333  0.667  0.004  1.0
  Os  Os10  1  0.388  0.000  0.215  1.0
  Os  Os11  1  0.000  0.612  0.715  1.0
  Os  Os12  1  0.612  0.612  0.215  1.0
  Os  Os13  1  0.388  0.388  0.715  1.0
  Os  Os14  1  0.000  0.388  0.215  1.0
  Os  Os15  1  0.612  0.000  0.715  1.0
  Cl  Cl16  1  0.000  0.000  0.039  1.0
  Cl  Cl17  1  0.000  0.000  0.539  1.0
  O  O18  1  0.257  0.869  0.069  1.0
  O  O19  1  0.554  0.424  0.247  1.0
  O  O20  1  0.389  0.131  0.069  1.0
  O  O21  1  0.870  0.424  0.747  1.0
  O  O22  1  0.446  0.576  0.747  1.0
  O  O23  1  0.554  0.130  0.747  1.0
  O  O24  1  0.576  0.446  0.747  1.0
  O  O25  1  0.294  0.000  0.390  1.0
  O  O26  1  0.131  0.389  0.069  1.0
  O  O27  1  0.294  0.294  0.890  1.0
  O  O28  1  0.000  0.706  0.890  1.0
  O  O29  1  0.706  0.000  0.890  1.0
  O  O30  1  0.424  0.554  0.247  1.0
  O  O31  1  0.706  0.706  0.390  1.0
  O  O32  1  0.000  0.294  0.390  1.0
  O  O33  1  0.130  0.554  0.747  1.0
  O  O34  1  0.611  0.869  0.569  1.0
  O  O35  1  0.389  0.257  0.569  1.0
  O  O36  1  0.743  0.131  0.569  1.0
  O  O37  1  0.869  0.257  0.069  1.0
  O  O38  1  0.257  0.389  0.569  1.0
  O  O39  1  0.870  0.446  0.247  1.0
  O  O40  1  0.611  0.743  0.069  1.0
  O  O41  1  0.130  0.576  0.247  1.0
  O  O42  1  0.446  0.870  0.247  1.0
  O  O43  1  0.743  0.611  0.069  1.0
  O  O44  1  0.131  0.743  0.569  1.0
  O  O45  1  0.576  0.130  0.247  1.0
  O  O46  1  0.424  0.870  0.747  1.0
  O  O47  1  0.869  0.611  0.569  1.0
[/CIF]
.