The compound described by Ba2ThCrTe7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Te(3), one Te(5), two equivalent Te(2), two equivalent Te(4), and four equivalent Te(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Te(4), one Te(5), two equivalent Te(1), two equivalent Te(3), and four equivalent Te(2) atoms. Th(1) is bonded in a 8-coordinate geometry to one Te(3), one Te(4), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(5) atoms. Cr(1) is bonded to two equivalent Te(3), two equivalent Te(4), and two equivalent Te(5) atoms to form face-sharing CrTe6 octahedra. There are five inequivalent Te sites. In the first Te site, Te(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Th(1), and two equivalent Cr(1) atoms. In the second Te site, Te(4) is bonded to one Ba(2), two equivalent Ba(1), one Th(1), and two equivalent Cr(1) atoms to form distorted TeBa3ThCr2 pentagonal pyramids that share corners with four equivalent Te(4)Ba3ThCr2 pentagonal pyramids and faces with three equivalent Te(5)Ba2Th2Cr2 pentagonal pyramids. In the third Te site, Te(5) is bonded to one Ba(1), one Ba(2), two equivalent Th(1), and two equivalent Cr(1) atoms to form TeBa2Th2Cr2 pentagonal pyramids that share corners with four equivalent Te(5)Ba2Th2Cr2 pentagonal pyramids and faces with three equivalent Te(4)Ba3ThCr2 pentagonal pyramids. In the fourth Te site, Te(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Th(1), and two equivalent Te(1) atoms. In the fifth Te site, Te(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Th(1), and two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_Ba2ThCrTe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.263
_cell_length_b   12.806
_cell_length_c   19.108
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1532.458
_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  0.250  0.322  0.944  1.0
  Ba  Ba1  1  0.250  0.822  0.556  1.0
  Ba  Ba2  1  0.750  0.678  0.056  1.0
  Ba  Ba3  1  0.750  0.178  0.444  1.0
  Ba  Ba4  1  0.250  0.447  0.276  1.0
  Ba  Ba5  1  0.250  0.947  0.224  1.0
  Ba  Ba6  1  0.750  0.553  0.724  1.0
  Ba  Ba7  1  0.750  0.053  0.776  1.0
  Th  Th8  1  0.250  0.292  0.625  1.0
  Th  Th9  1  0.250  0.792  0.875  1.0
  Th  Th10  1  0.750  0.708  0.375  1.0
  Th  Th11  1  0.750  0.208  0.125  1.0
  Cr  Cr12  1  0.000  0.000  0.000  1.0
  Cr  Cr13  1  0.500  0.500  0.500  1.0
  Cr  Cr14  1  0.500  0.000  0.000  1.0
  Cr  Cr15  1  0.000  0.500  0.500  1.0
  Te  Te16  1  0.002  0.075  0.602  1.0
  Te  Te17  1  0.498  0.575  0.898  1.0
  Te  Te18  1  0.502  0.925  0.398  1.0
  Te  Te19  1  0.998  0.425  0.102  1.0
  Te  Te20  1  0.998  0.925  0.398  1.0
  Te  Te21  1  0.502  0.425  0.102  1.0
  Te  Te22  1  0.498  0.075  0.602  1.0
  Te  Te23  1  0.002  0.575  0.898  1.0
  Te  Te24  1  0.003  0.307  0.771  1.0
  Te  Te25  1  0.497  0.807  0.729  1.0
  Te  Te26  1  0.503  0.693  0.229  1.0
  Te  Te27  1  0.997  0.193  0.271  1.0
  Te  Te28  1  0.997  0.693  0.229  1.0
  Te  Te29  1  0.503  0.193  0.271  1.0
  Te  Te30  1  0.497  0.307  0.771  1.0
  Te  Te31  1  0.003  0.807  0.729  1.0
  Te  Te32  1  0.250  0.042  0.882  1.0
  Te  Te33  1  0.250  0.542  0.618  1.0
  Te  Te34  1  0.750  0.958  0.118  1.0
  Te  Te35  1  0.750  0.458  0.382  1.0
  Te  Te36  1  0.250  0.329  0.459  1.0
  Te  Te37  1  0.250  0.829  0.041  1.0
  Te  Te38  1  0.750  0.671  0.541  1.0
  Te  Te39  1  0.750  0.171  0.959  1.0
  Te  Te40  1  0.250  0.637  0.415  1.0
  Te  Te41  1  0.250  0.137  0.085  1.0
  Te  Te42  1  0.750  0.363  0.585  1.0
  Te  Te43  1  0.750  0.863  0.915  1.0
[/CIF]
.
The compound described by Ba2ThCrTe7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Te(3), one Te(5), two equivalent Te(2), two equivalent Te(4), and four equivalent Te(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Te(4), one Te(5), two equivalent Te(1), two equivalent Te(3), and four equivalent Te(2) atoms. Th(1) is bonded in a 8-coordinate geometry to one Te(3), one Te(4), two equivalent Te(1), two equivalent Te(2), and two equivalent Te(5) atoms. Cr(1) is bonded to two equivalent Te(3), two equivalent Te(4), and two equivalent Te(5) atoms to form face-sharing CrTe6 octahedra. There are five inequivalent Te sites. In the first Te site, Te(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Th(1), and two equivalent Cr(1) atoms. In the second Te site, Te(4) is bonded to one Ba(2), two equivalent Ba(1), one Th(1), and two equivalent Cr(1) atoms to form distorted TeBa3ThCr2 pentagonal pyramids that share corners with four equivalent Te(4)Ba3ThCr2 pentagonal pyramids and faces with three equivalent Te(5)Ba2Th2Cr2 pentagonal pyramids. In the third Te site, Te(5) is bonded to one Ba(1), one Ba(2), two equivalent Th(1), and two equivalent Cr(1) atoms to form TeBa2Th2Cr2 pentagonal pyramids that share corners with four equivalent Te(5)Ba2Th2Cr2 pentagonal pyramids and faces with three equivalent Te(4)Ba3ThCr2 pentagonal pyramids. In the fourth Te site, Te(1) is bonded in a 6-coordinate geometry to one Ba(2), two equivalent Ba(1), one Th(1), and two equivalent Te(1) atoms. In the fifth Te site, Te(2) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Th(1), and two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_Ba2ThCrTe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.263
_cell_length_b   12.806
_cell_length_c   19.108
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1532.458
_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  0.250  0.322  0.944  1.0
  Ba  Ba1  1  0.250  0.822  0.556  1.0
  Ba  Ba2  1  0.750  0.678  0.056  1.0
  Ba  Ba3  1  0.750  0.178  0.444  1.0
  Ba  Ba4  1  0.250  0.447  0.276  1.0
  Ba  Ba5  1  0.250  0.947  0.224  1.0
  Ba  Ba6  1  0.750  0.553  0.724  1.0
  Ba  Ba7  1  0.750  0.053  0.776  1.0
  Th  Th8  1  0.250  0.292  0.625  1.0
  Th  Th9  1  0.250  0.792  0.875  1.0
  Th  Th10  1  0.750  0.708  0.375  1.0
  Th  Th11  1  0.750  0.208  0.125  1.0
  Cr  Cr12  1  0.000  0.000  0.000  1.0
  Cr  Cr13  1  0.500  0.500  0.500  1.0
  Cr  Cr14  1  0.500  0.000  0.000  1.0
  Cr  Cr15  1  0.000  0.500  0.500  1.0
  Te  Te16  1  0.002  0.075  0.602  1.0
  Te  Te17  1  0.498  0.575  0.898  1.0
  Te  Te18  1  0.502  0.925  0.398  1.0
  Te  Te19  1  0.998  0.425  0.102  1.0
  Te  Te20  1  0.998  0.925  0.398  1.0
  Te  Te21  1  0.502  0.425  0.102  1.0
  Te  Te22  1  0.498  0.075  0.602  1.0
  Te  Te23  1  0.002  0.575  0.898  1.0
  Te  Te24  1  0.003  0.307  0.771  1.0
  Te  Te25  1  0.497  0.807  0.729  1.0
  Te  Te26  1  0.503  0.693  0.229  1.0
  Te  Te27  1  0.997  0.193  0.271  1.0
  Te  Te28  1  0.997  0.693  0.229  1.0
  Te  Te29  1  0.503  0.193  0.271  1.0
  Te  Te30  1  0.497  0.307  0.771  1.0
  Te  Te31  1  0.003  0.807  0.729  1.0
  Te  Te32  1  0.250  0.042  0.882  1.0
  Te  Te33  1  0.250  0.542  0.618  1.0
  Te  Te34  1  0.750  0.958  0.118  1.0
  Te  Te35  1  0.750  0.458  0.382  1.0
  Te  Te36  1  0.250  0.329  0.459  1.0
  Te  Te37  1  0.250  0.829  0.041  1.0
  Te  Te38  1  0.750  0.671  0.541  1.0
  Te  Te39  1  0.750  0.171  0.959  1.0
  Te  Te40  1  0.250  0.637  0.415  1.0
  Te  Te41  1  0.250  0.137  0.085  1.0
  Te  Te42  1  0.750  0.363  0.585  1.0
  Te  Te43  1  0.750  0.863  0.915  1.0
[/CIF]
.