The material described by Ba9Pr6Br34 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent Br(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Br(1), one Br(2), one Br(5), two equivalent Br(3), two equivalent Br(6), and three equivalent Br(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent Br(4) and four equivalent Br(6) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(3), two equivalent Br(5), and two equivalent Br(6) atoms. There are six inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent Ba(2) atoms to form BrBa4 tetrahedra that share corners with four equivalent Br(4)Ba3Pr tetrahedra, corners with eight equivalent Br(3)Ba3Pr tetrahedra, edges with two equivalent Br(1)Ba2Pr2 tetrahedra, and edges with four equivalent Br(4)Ba3Pr tetrahedra. In the second Br site, Br(3) is bonded to one Ba(1), two equivalent Ba(2), and one Pr(2) atom to form BrBa3Pr tetrahedra that share corners with two equivalent Br(1)Ba2Pr2 tetrahedra, corners with two equivalent Br(2)Ba4 tetrahedra, corners with four equivalent Br(3)Ba3Pr tetrahedra, corners with four equivalent Br(4)Ba3Pr tetrahedra,  an edgeedge with one Br(1)Ba2Pr2 tetrahedra,  an edgeedge with one Br(4)Ba3Pr tetrahedra, and edges with three equivalent Br(3)Ba3Pr tetrahedra. In the third Br site, Br(4) is bonded to three equivalent Ba(2) and one Pr(1) atom to form BrBa3Pr tetrahedra that share  a cornercorner with one Br(2)Ba4 tetrahedra, corners with three equivalent Br(1)Ba2Pr2 tetrahedra, corners with three equivalent Br(4)Ba3Pr tetrahedra, corners with four equivalent Br(3)Ba3Pr tetrahedra,  an edgeedge with one Br(3)Ba3Pr tetrahedra,  an edgeedge with one Br(2)Ba4 tetrahedra, and edges with three equivalent Br(4)Ba3Pr tetrahedra. In the fourth Br site, Br(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2) and two equivalent Pr(2) atoms. In the fifth Br site, Br(6) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Pr(1), and one Pr(2) atom. In the sixth Br site, Br(1) is bonded to two equivalent Ba(2) and two equivalent Pr(2) atoms to form BrBa2Pr2 tetrahedra that share corners with four equivalent Br(3)Ba3Pr tetrahedra, corners with six equivalent Br(4)Ba3Pr tetrahedra,  an edgeedge with one Br(1)Ba2Pr2 tetrahedra,  an edgeedge with one Br(2)Ba4 tetrahedra, and edges with two equivalent Br(3)Ba3Pr tetrahedra. is represented by the CIF file [CIF]
data_Ba9Pr6Br34
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.324
_cell_length_b   14.324
_cell_length_c   14.324
_cell_angle_alpha   130.287
_cell_angle_beta   130.287
_cell_angle_gamma   72.948
_symmetry_Int_Tables_number   1
_cell_volume   1670.367
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Ba  Ba1  1  0.159  0.705  0.179  1.0
  Ba  Ba2  1  0.526  0.979  0.821  1.0
  Ba  Ba3  1  0.979  0.159  0.454  1.0
  Ba  Ba4  1  0.705  0.526  0.546  1.0
  Ba  Ba5  1  0.841  0.295  0.821  1.0
  Ba  Ba6  1  0.474  0.021  0.179  1.0
  Ba  Ba7  1  0.021  0.841  0.546  1.0
  Ba  Ba8  1  0.295  0.474  0.454  1.0
  Pr  Pr9  1  0.688  0.688  0.000  1.0
  Pr  Pr10  1  0.312  0.312  0.000  1.0
  Pr  Pr11  1  0.178  0.608  0.786  1.0
  Pr  Pr12  1  0.822  0.392  0.214  1.0
  Pr  Pr13  1  0.392  0.178  0.570  1.0
  Pr  Pr14  1  0.608  0.822  0.430  1.0
  Br  Br15  1  0.922  0.422  0.500  1.0
  Br  Br16  1  0.422  0.922  0.500  1.0
  Br  Br17  1  0.078  0.578  0.500  1.0
  Br  Br18  1  0.578  0.078  0.500  1.0
  Br  Br19  1  0.750  0.250  0.500  1.0
  Br  Br20  1  0.250  0.750  0.500  1.0
  Br  Br21  1  0.004  0.708  0.874  1.0
  Br  Br22  1  0.834  0.130  0.126  1.0
  Br  Br23  1  0.130  0.004  0.296  1.0
  Br  Br24  1  0.708  0.834  0.704  1.0
  Br  Br25  1  0.996  0.292  0.126  1.0
  Br  Br26  1  0.166  0.870  0.874  1.0
  Br  Br27  1  0.870  0.996  0.704  1.0
  Br  Br28  1  0.292  0.166  0.296  1.0
  Br  Br29  1  0.955  0.851  0.285  1.0
  Br  Br30  1  0.566  0.670  0.715  1.0
  Br  Br31  1  0.670  0.955  0.104  1.0
  Br  Br32  1  0.851  0.566  0.896  1.0
  Br  Br33  1  0.045  0.149  0.715  1.0
  Br  Br34  1  0.434  0.330  0.285  1.0
  Br  Br35  1  0.330  0.045  0.896  1.0
  Br  Br36  1  0.149  0.434  0.104  1.0
  Br  Br37  1  0.357  0.782  0.139  1.0
  Br  Br38  1  0.643  0.218  0.861  1.0
  Br  Br39  1  0.218  0.357  0.575  1.0
  Br  Br40  1  0.782  0.643  0.425  1.0
  Br  Br41  1  0.550  0.411  0.717  1.0
  Br  Br42  1  0.694  0.834  0.283  1.0
  Br  Br43  1  0.834  0.550  0.139  1.0
  Br  Br44  1  0.411  0.694  0.861  1.0
  Br  Br45  1  0.450  0.589  0.283  1.0
  Br  Br46  1  0.306  0.166  0.717  1.0
  Br  Br47  1  0.166  0.450  0.861  1.0
  Br  Br48  1  0.589  0.306  0.139  1.0
[/CIF]
.
The material described by Ba9Pr6Br34 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a body-centered cubic geometry to eight equivalent Br(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Br(1), one Br(2), one Br(5), two equivalent Br(3), two equivalent Br(6), and three equivalent Br(4) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent Br(4) and four equivalent Br(6) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(3), two equivalent Br(5), and two equivalent Br(6) atoms. There are six inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent Ba(2) atoms to form BrBa4 tetrahedra that share corners with four equivalent Br(4)Ba3Pr tetrahedra, corners with eight equivalent Br(3)Ba3Pr tetrahedra, edges with two equivalent Br(1)Ba2Pr2 tetrahedra, and edges with four equivalent Br(4)Ba3Pr tetrahedra. In the second Br site, Br(3) is bonded to one Ba(1), two equivalent Ba(2), and one Pr(2) atom to form BrBa3Pr tetrahedra that share corners with two equivalent Br(1)Ba2Pr2 tetrahedra, corners with two equivalent Br(2)Ba4 tetrahedra, corners with four equivalent Br(3)Ba3Pr tetrahedra, corners with four equivalent Br(4)Ba3Pr tetrahedra,  an edgeedge with one Br(1)Ba2Pr2 tetrahedra,  an edgeedge with one Br(4)Ba3Pr tetrahedra, and edges with three equivalent Br(3)Ba3Pr tetrahedra. In the third Br site, Br(4) is bonded to three equivalent Ba(2) and one Pr(1) atom to form BrBa3Pr tetrahedra that share  a cornercorner with one Br(2)Ba4 tetrahedra, corners with three equivalent Br(1)Ba2Pr2 tetrahedra, corners with three equivalent Br(4)Ba3Pr tetrahedra, corners with four equivalent Br(3)Ba3Pr tetrahedra,  an edgeedge with one Br(3)Ba3Pr tetrahedra,  an edgeedge with one Br(2)Ba4 tetrahedra, and edges with three equivalent Br(4)Ba3Pr tetrahedra. In the fourth Br site, Br(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2) and two equivalent Pr(2) atoms. In the fifth Br site, Br(6) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Pr(1), and one Pr(2) atom. In the sixth Br site, Br(1) is bonded to two equivalent Ba(2) and two equivalent Pr(2) atoms to form BrBa2Pr2 tetrahedra that share corners with four equivalent Br(3)Ba3Pr tetrahedra, corners with six equivalent Br(4)Ba3Pr tetrahedra,  an edgeedge with one Br(1)Ba2Pr2 tetrahedra,  an edgeedge with one Br(2)Ba4 tetrahedra, and edges with two equivalent Br(3)Ba3Pr tetrahedra. is represented by the CIF file [CIF]
data_Ba9Pr6Br34
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.324
_cell_length_b   14.324
_cell_length_c   14.324
_cell_angle_alpha   130.287
_cell_angle_beta   130.287
_cell_angle_gamma   72.948
_symmetry_Int_Tables_number   1
_cell_volume   1670.367
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Ba  Ba1  1  0.159  0.705  0.179  1.0
  Ba  Ba2  1  0.526  0.979  0.821  1.0
  Ba  Ba3  1  0.979  0.159  0.454  1.0
  Ba  Ba4  1  0.705  0.526  0.546  1.0
  Ba  Ba5  1  0.841  0.295  0.821  1.0
  Ba  Ba6  1  0.474  0.021  0.179  1.0
  Ba  Ba7  1  0.021  0.841  0.546  1.0
  Ba  Ba8  1  0.295  0.474  0.454  1.0
  Pr  Pr9  1  0.688  0.688  0.000  1.0
  Pr  Pr10  1  0.312  0.312  0.000  1.0
  Pr  Pr11  1  0.178  0.608  0.786  1.0
  Pr  Pr12  1  0.822  0.392  0.214  1.0
  Pr  Pr13  1  0.392  0.178  0.570  1.0
  Pr  Pr14  1  0.608  0.822  0.430  1.0
  Br  Br15  1  0.922  0.422  0.500  1.0
  Br  Br16  1  0.422  0.922  0.500  1.0
  Br  Br17  1  0.078  0.578  0.500  1.0
  Br  Br18  1  0.578  0.078  0.500  1.0
  Br  Br19  1  0.750  0.250  0.500  1.0
  Br  Br20  1  0.250  0.750  0.500  1.0
  Br  Br21  1  0.004  0.708  0.874  1.0
  Br  Br22  1  0.834  0.130  0.126  1.0
  Br  Br23  1  0.130  0.004  0.296  1.0
  Br  Br24  1  0.708  0.834  0.704  1.0
  Br  Br25  1  0.996  0.292  0.126  1.0
  Br  Br26  1  0.166  0.870  0.874  1.0
  Br  Br27  1  0.870  0.996  0.704  1.0
  Br  Br28  1  0.292  0.166  0.296  1.0
  Br  Br29  1  0.955  0.851  0.285  1.0
  Br  Br30  1  0.566  0.670  0.715  1.0
  Br  Br31  1  0.670  0.955  0.104  1.0
  Br  Br32  1  0.851  0.566  0.896  1.0
  Br  Br33  1  0.045  0.149  0.715  1.0
  Br  Br34  1  0.434  0.330  0.285  1.0
  Br  Br35  1  0.330  0.045  0.896  1.0
  Br  Br36  1  0.149  0.434  0.104  1.0
  Br  Br37  1  0.357  0.782  0.139  1.0
  Br  Br38  1  0.643  0.218  0.861  1.0
  Br  Br39  1  0.218  0.357  0.575  1.0
  Br  Br40  1  0.782  0.643  0.425  1.0
  Br  Br41  1  0.550  0.411  0.717  1.0
  Br  Br42  1  0.694  0.834  0.283  1.0
  Br  Br43  1  0.834  0.550  0.139  1.0
  Br  Br44  1  0.411  0.694  0.861  1.0
  Br  Br45  1  0.450  0.589  0.283  1.0
  Br  Br46  1  0.306  0.166  0.717  1.0
  Br  Br47  1  0.166  0.450  0.861  1.0
  Br  Br48  1  0.589  0.306  0.139  1.0
[/CIF]
.