The compound described by Ba4SrRe3O15Cl crystallizes in the trigonal P31m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), one Cl(1), and one Cl(2) atom. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), one Cl(1), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Re site, Re(2) is bonded in a distorted trigonal bipyramidal geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Ba(1), one Ba(3), one Sr(1), and one Re(2) atom to form distorted OBa2SrRe tetrahedra that share  a cornercorner with one Cl(1)Ba6 octahedra,  a cornercorner with one Cl(2)Ba6 octahedra, corners with three equivalent O(1)Ba2SrRe tetrahedra, corners with three equivalent O(2)Ba3Re tetrahedra, corners with six equivalent O(3)Ba2SrRe tetrahedra,  an edgeedge with one O(1)Ba2SrRe tetrahedra, edges with two equivalent O(2)Ba3Re tetrahedra, and edges with three equivalent O(4)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. In the second O site, O(5) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one Re(1) atom. In the third O site, O(6) is bonded in a single-bond geometry to one Ba(2), two equivalent Ba(1), and one Re(2) atom. In the fourth O site, O(1) is bonded to one Ba(1), one Ba(2), one Sr(1), and one Re(1) atom to form distorted OBa2SrRe tetrahedra that share corners with two equivalent Cl(2)Ba6 octahedra, corners with three equivalent O(1)Ba2SrRe tetrahedra, corners with three equivalent O(3)Ba2SrRe tetrahedra, corners with three equivalent O(4)Ba2SrRe tetrahedra, corners with four equivalent O(2)Ba3Re tetrahedra,  an edgeedge with one Cl(1)Ba6 octahedra,  an edgeedge with one O(1)Ba2SrRe tetrahedra,  an edgeedge with one O(4)Ba2SrRe tetrahedra, and edges with two equivalent O(3)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 49-71°. In the fifth O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Re(2) atom to form distorted OBa3Re tetrahedra that share corners with two equivalent Cl(1)Ba6 octahedra, corners with three equivalent O(3)Ba2SrRe tetrahedra, corners with three equivalent O(4)Ba2SrRe tetrahedra, corners with three equivalent O(2)Ba3Re tetrahedra, corners with four equivalent O(1)Ba2SrRe tetrahedra,  an edgeedge with one Cl(2)Ba6 octahedra,  an edgeedge with one O(3)Ba2SrRe tetrahedra,  an edgeedge with one O(2)Ba3Re tetrahedra, and edges with two equivalent O(4)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the sixth O site, O(3) is bonded to one Ba(2), one Ba(3), one Sr(1), and one Re(1) atom to form distorted OBa2SrRe tetrahedra that share  a cornercorner with one Cl(1)Ba6 octahedra,  a cornercorner with one Cl(2)Ba6 octahedra, corners with three equivalent O(1)Ba2SrRe tetrahedra, corners with three equivalent O(2)Ba3Re tetrahedra, corners with six equivalent O(4)Ba2SrRe tetrahedra,  an edgeedge with one O(2)Ba3Re tetrahedra, edges with two equivalent O(1)Ba2SrRe tetrahedra, and edges with three equivalent O(3)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Ba(1) and three equivalent Ba(2) atoms to form ClBa6 octahedra that share corners with six equivalent O(3)Ba2SrRe tetrahedra, corners with six equivalent O(4)Ba2SrRe tetrahedra, corners with twelve equivalent O(2)Ba3Re tetrahedra, edges with six equivalent O(1)Ba2SrRe tetrahedra, and faces with two equivalent Cl(2)Ba6 octahedra. In the second Cl site, Cl(2) is bonded to three equivalent Ba(1) and three equivalent Ba(2) atoms to form ClBa6 octahedra that share corners with six equivalent O(3)Ba2SrRe tetrahedra, corners with six equivalent O(4)Ba2SrRe tetrahedra, corners with twelve equivalent O(1)Ba2SrRe tetrahedra, edges with six equivalent O(2)Ba3Re tetrahedra, and faces with two equivalent Cl(1)Ba6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4SrRe3ClO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.004
_cell_length_b   11.004
_cell_length_c   7.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   827.601
_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  0.736  0.000  0.761  1.0
  Ba  Ba1  1  0.264  0.264  0.761  1.0
  Ba  Ba2  1  0.000  0.736  0.761  1.0
  Ba  Ba3  1  0.264  0.000  0.260  1.0
  Ba  Ba4  1  0.736  0.736  0.260  1.0
  Ba  Ba5  1  0.000  0.264  0.260  1.0
  Ba  Ba6  1  0.333  0.667  0.501  1.0
  Ba  Ba7  1  0.667  0.333  0.501  1.0
  Sr  Sr8  1  0.667  0.333  0.005  1.0
  Sr  Sr9  1  0.333  0.667  0.005  1.0
  Re  Re10  1  0.609  0.000  0.202  1.0
  Re  Re11  1  0.391  0.391  0.202  1.0
  Re  Re12  1  0.000  0.609  0.202  1.0
  Re  Re13  1  0.390  0.000  0.706  1.0
  Re  Re14  1  0.610  0.610  0.706  1.0
  Re  Re15  1  0.000  0.390  0.706  1.0
  Cl  Cl16  1  0.000  0.000  0.035  1.0
  Cl  Cl17  1  0.000  0.000  0.535  1.0
  O  O18  1  0.608  0.866  0.060  1.0
  O  O19  1  0.258  0.392  0.060  1.0
  O  O20  1  0.134  0.742  0.060  1.0
  O  O21  1  0.742  0.134  0.060  1.0
  O  O22  1  0.866  0.608  0.060  1.0
  O  O23  1  0.392  0.258  0.060  1.0
  O  O24  1  0.390  0.132  0.562  1.0
  O  O25  1  0.743  0.610  0.562  1.0
  O  O26  1  0.868  0.257  0.562  1.0
  O  O27  1  0.257  0.868  0.562  1.0
  O  O28  1  0.132  0.390  0.562  1.0
  O  O29  1  0.610  0.743  0.562  1.0
  O  O30  1  0.421  0.867  0.242  1.0
  O  O31  1  0.446  0.579  0.242  1.0
  O  O32  1  0.133  0.554  0.242  1.0
  O  O33  1  0.554  0.133  0.242  1.0
  O  O34  1  0.867  0.421  0.242  1.0
  O  O35  1  0.579  0.446  0.242  1.0
  O  O36  1  0.578  0.134  0.750  1.0
  O  O37  1  0.556  0.422  0.750  1.0
  O  O38  1  0.866  0.444  0.750  1.0
  O  O39  1  0.444  0.866  0.750  1.0
  O  O40  1  0.134  0.578  0.750  1.0
  O  O41  1  0.422  0.556  0.750  1.0
  O  O42  1  0.707  0.000  0.380  1.0
  O  O43  1  0.293  0.293  0.380  1.0
  O  O44  1  0.000  0.707  0.380  1.0
  O  O45  1  0.292  0.000  0.881  1.0
  O  O46  1  0.708  0.708  0.881  1.0
  O  O47  1  0.000  0.292  0.881  1.0
[/CIF]
.
The compound described by Ba4SrRe3O15Cl crystallizes in the trigonal P31m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), one Cl(1), and one Cl(2) atom. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), one Cl(1), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to three equivalent O(2), three equivalent O(3), and three equivalent O(4) atoms. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the second Re site, Re(2) is bonded in a distorted trigonal bipyramidal geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Ba(1), one Ba(3), one Sr(1), and one Re(2) atom to form distorted OBa2SrRe tetrahedra that share  a cornercorner with one Cl(1)Ba6 octahedra,  a cornercorner with one Cl(2)Ba6 octahedra, corners with three equivalent O(1)Ba2SrRe tetrahedra, corners with three equivalent O(2)Ba3Re tetrahedra, corners with six equivalent O(3)Ba2SrRe tetrahedra,  an edgeedge with one O(1)Ba2SrRe tetrahedra, edges with two equivalent O(2)Ba3Re tetrahedra, and edges with three equivalent O(4)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. In the second O site, O(5) is bonded in a single-bond geometry to one Ba(1), two equivalent Ba(2), and one Re(1) atom. In the third O site, O(6) is bonded in a single-bond geometry to one Ba(2), two equivalent Ba(1), and one Re(2) atom. In the fourth O site, O(1) is bonded to one Ba(1), one Ba(2), one Sr(1), and one Re(1) atom to form distorted OBa2SrRe tetrahedra that share corners with two equivalent Cl(2)Ba6 octahedra, corners with three equivalent O(1)Ba2SrRe tetrahedra, corners with three equivalent O(3)Ba2SrRe tetrahedra, corners with three equivalent O(4)Ba2SrRe tetrahedra, corners with four equivalent O(2)Ba3Re tetrahedra,  an edgeedge with one Cl(1)Ba6 octahedra,  an edgeedge with one O(1)Ba2SrRe tetrahedra,  an edgeedge with one O(4)Ba2SrRe tetrahedra, and edges with two equivalent O(3)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 49-71°. In the fifth O site, O(2) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Re(2) atom to form distorted OBa3Re tetrahedra that share corners with two equivalent Cl(1)Ba6 octahedra, corners with three equivalent O(3)Ba2SrRe tetrahedra, corners with three equivalent O(4)Ba2SrRe tetrahedra, corners with three equivalent O(2)Ba3Re tetrahedra, corners with four equivalent O(1)Ba2SrRe tetrahedra,  an edgeedge with one Cl(2)Ba6 octahedra,  an edgeedge with one O(3)Ba2SrRe tetrahedra,  an edgeedge with one O(2)Ba3Re tetrahedra, and edges with two equivalent O(4)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 49-72°. In the sixth O site, O(3) is bonded to one Ba(2), one Ba(3), one Sr(1), and one Re(1) atom to form distorted OBa2SrRe tetrahedra that share  a cornercorner with one Cl(1)Ba6 octahedra,  a cornercorner with one Cl(2)Ba6 octahedra, corners with three equivalent O(1)Ba2SrRe tetrahedra, corners with three equivalent O(2)Ba3Re tetrahedra, corners with six equivalent O(4)Ba2SrRe tetrahedra,  an edgeedge with one O(2)Ba3Re tetrahedra, edges with two equivalent O(1)Ba2SrRe tetrahedra, and edges with three equivalent O(3)Ba2SrRe tetrahedra. The corner-sharing octahedral tilt angles range from 42-43°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Ba(1) and three equivalent Ba(2) atoms to form ClBa6 octahedra that share corners with six equivalent O(3)Ba2SrRe tetrahedra, corners with six equivalent O(4)Ba2SrRe tetrahedra, corners with twelve equivalent O(2)Ba3Re tetrahedra, edges with six equivalent O(1)Ba2SrRe tetrahedra, and faces with two equivalent Cl(2)Ba6 octahedra. In the second Cl site, Cl(2) is bonded to three equivalent Ba(1) and three equivalent Ba(2) atoms to form ClBa6 octahedra that share corners with six equivalent O(3)Ba2SrRe tetrahedra, corners with six equivalent O(4)Ba2SrRe tetrahedra, corners with twelve equivalent O(1)Ba2SrRe tetrahedra, edges with six equivalent O(2)Ba3Re tetrahedra, and faces with two equivalent Cl(1)Ba6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4SrRe3ClO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.004
_cell_length_b   11.004
_cell_length_c   7.892
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   827.601
_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  0.736  0.000  0.761  1.0
  Ba  Ba1  1  0.264  0.264  0.761  1.0
  Ba  Ba2  1  0.000  0.736  0.761  1.0
  Ba  Ba3  1  0.264  0.000  0.260  1.0
  Ba  Ba4  1  0.736  0.736  0.260  1.0
  Ba  Ba5  1  0.000  0.264  0.260  1.0
  Ba  Ba6  1  0.333  0.667  0.501  1.0
  Ba  Ba7  1  0.667  0.333  0.501  1.0
  Sr  Sr8  1  0.667  0.333  0.005  1.0
  Sr  Sr9  1  0.333  0.667  0.005  1.0
  Re  Re10  1  0.609  0.000  0.202  1.0
  Re  Re11  1  0.391  0.391  0.202  1.0
  Re  Re12  1  0.000  0.609  0.202  1.0
  Re  Re13  1  0.390  0.000  0.706  1.0
  Re  Re14  1  0.610  0.610  0.706  1.0
  Re  Re15  1  0.000  0.390  0.706  1.0
  Cl  Cl16  1  0.000  0.000  0.035  1.0
  Cl  Cl17  1  0.000  0.000  0.535  1.0
  O  O18  1  0.608  0.866  0.060  1.0
  O  O19  1  0.258  0.392  0.060  1.0
  O  O20  1  0.134  0.742  0.060  1.0
  O  O21  1  0.742  0.134  0.060  1.0
  O  O22  1  0.866  0.608  0.060  1.0
  O  O23  1  0.392  0.258  0.060  1.0
  O  O24  1  0.390  0.132  0.562  1.0
  O  O25  1  0.743  0.610  0.562  1.0
  O  O26  1  0.868  0.257  0.562  1.0
  O  O27  1  0.257  0.868  0.562  1.0
  O  O28  1  0.132  0.390  0.562  1.0
  O  O29  1  0.610  0.743  0.562  1.0
  O  O30  1  0.421  0.867  0.242  1.0
  O  O31  1  0.446  0.579  0.242  1.0
  O  O32  1  0.133  0.554  0.242  1.0
  O  O33  1  0.554  0.133  0.242  1.0
  O  O34  1  0.867  0.421  0.242  1.0
  O  O35  1  0.579  0.446  0.242  1.0
  O  O36  1  0.578  0.134  0.750  1.0
  O  O37  1  0.556  0.422  0.750  1.0
  O  O38  1  0.866  0.444  0.750  1.0
  O  O39  1  0.444  0.866  0.750  1.0
  O  O40  1  0.134  0.578  0.750  1.0
  O  O41  1  0.422  0.556  0.750  1.0
  O  O42  1  0.707  0.000  0.380  1.0
  O  O43  1  0.293  0.293  0.380  1.0
  O  O44  1  0.000  0.707  0.380  1.0
  O  O45  1  0.292  0.000  0.881  1.0
  O  O46  1  0.708  0.708  0.881  1.0
  O  O47  1  0.000  0.292  0.881  1.0
[/CIF]
.