The material structure described by UThB8 crystallizes in the orthorhombic Cmmm space group. U(1) is bonded in a 18-coordinate geometry to two equivalent B(5), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Th(1) is bonded in a 18-coordinate geometry to two equivalent B(4), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(5) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent Th(1), one B(1), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent Th(1), one B(5), two equivalent B(1), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent Th(1), one B(4), two equivalent B(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a distorted trigonal planar geometry to four equivalent U(1), two equivalent Th(1), one B(4), and two equivalent B(3) atoms. In the fifth B site, B(5) is bonded in a 3-coordinate geometry to two equivalent U(1), four equivalent Th(1), one B(5), and two equivalent B(2) atoms. is represented by the CIF file [CIF]
data_ThUB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.150
_cell_length_b   7.150
_cell_length_c   4.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.310
_symmetry_Int_Tables_number   1
_cell_volume   206.272
_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
  Th  Th0  1  0.812  0.812  0.000  1.0
  Th  Th1  1  0.188  0.188  0.000  1.0
  U  U2  1  0.690  0.310  0.000  1.0
  U  U3  1  0.310  0.690  0.000  1.0
  B  B4  1  0.000  0.500  0.799  1.0
  B  B5  1  0.500  0.000  0.799  1.0
  B  B6  1  0.000  0.500  0.201  1.0
  B  B7  1  0.500  0.000  0.201  1.0
  B  B8  1  0.045  0.676  0.500  1.0
  B  B9  1  0.955  0.324  0.500  1.0
  B  B10  1  0.467  0.179  0.500  1.0
  B  B11  1  0.533  0.821  0.500  1.0
  B  B12  1  0.179  0.467  0.500  1.0
  B  B13  1  0.821  0.533  0.500  1.0
  B  B14  1  0.676  0.045  0.500  1.0
  B  B15  1  0.324  0.955  0.500  1.0
  B  B16  1  0.588  0.588  0.500  1.0
  B  B17  1  0.412  0.412  0.500  1.0
  B  B18  1  0.911  0.089  0.500  1.0
  B  B19  1  0.089  0.911  0.500  1.0
[/CIF]
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The material structure described by UThB8 crystallizes in the orthorhombic Cmmm space group. U(1) is bonded in a 18-coordinate geometry to two equivalent B(5), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Th(1) is bonded in a 18-coordinate geometry to two equivalent B(4), four equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(5) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent Th(1), one B(1), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent Th(1), one B(5), two equivalent B(1), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent U(1), two equivalent Th(1), one B(4), two equivalent B(1), and two equivalent B(2) atoms. In the fourth B site, B(4) is bonded in a distorted trigonal planar geometry to four equivalent U(1), two equivalent Th(1), one B(4), and two equivalent B(3) atoms. In the fifth B site, B(5) is bonded in a 3-coordinate geometry to two equivalent U(1), four equivalent Th(1), one B(5), and two equivalent B(2) atoms. is represented by the CIF file [CIF]
data_ThUB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.150
_cell_length_b   7.150
_cell_length_c   4.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.310
_symmetry_Int_Tables_number   1
_cell_volume   206.272
_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
  Th  Th0  1  0.812  0.812  0.000  1.0
  Th  Th1  1  0.188  0.188  0.000  1.0
  U  U2  1  0.690  0.310  0.000  1.0
  U  U3  1  0.310  0.690  0.000  1.0
  B  B4  1  0.000  0.500  0.799  1.0
  B  B5  1  0.500  0.000  0.799  1.0
  B  B6  1  0.000  0.500  0.201  1.0
  B  B7  1  0.500  0.000  0.201  1.0
  B  B8  1  0.045  0.676  0.500  1.0
  B  B9  1  0.955  0.324  0.500  1.0
  B  B10  1  0.467  0.179  0.500  1.0
  B  B11  1  0.533  0.821  0.500  1.0
  B  B12  1  0.179  0.467  0.500  1.0
  B  B13  1  0.821  0.533  0.500  1.0
  B  B14  1  0.676  0.045  0.500  1.0
  B  B15  1  0.324  0.955  0.500  1.0
  B  B16  1  0.588  0.588  0.500  1.0
  B  B17  1  0.412  0.412  0.500  1.0
  B  B18  1  0.911  0.089  0.500  1.0
  B  B19  1  0.089  0.911  0.500  1.0
[/CIF]
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