The material structure described by Th2NiB10 crystallizes in the orthorhombic Pbam space group. Th(1) is bonded in a 22-coordinate geometry to two equivalent Ni(1), four equivalent B(1), four equivalent B(2), four equivalent B(4), and eight equivalent B(3) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Th(1), two equivalent B(1), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Ni(1), one B(1), one B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Th(1), one B(1), two equivalent B(3), and two equivalent B(4) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Ni(1), one B(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Ni(1), two equivalent B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Th2NiB10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.178
_cell_length_b   5.643
_cell_length_c   11.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.116
_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  0.500  0.306  0.864  1.0
  Th  Th1  1  0.500  0.694  0.136  1.0
  Th  Th2  1  0.500  0.806  0.636  1.0
  Th  Th3  1  0.500  0.194  0.364  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  1.000  1.000  1.000  1.0
  B  B6  1  1.000  0.125  0.541  1.0
  B  B7  1  1.000  0.875  0.459  1.0
  B  B8  1  0.000  0.625  0.959  1.0
  B  B9  1  0.000  0.375  0.041  1.0
  B  B10  1  0.000  0.154  0.697  1.0
  B  B11  1  1.000  0.846  0.303  1.0
  B  B12  1  0.300  0.201  0.113  1.0
  B  B13  1  0.300  0.799  0.887  1.0
  B  B14  1  0.700  0.701  0.387  1.0
  B  B15  1  0.700  0.299  0.613  1.0
  B  B16  1  0.700  0.799  0.887  1.0
  B  B17  1  0.700  0.201  0.113  1.0
  B  B18  1  0.300  0.299  0.613  1.0
  B  B19  1  0.300  0.701  0.387  1.0
  B  B20  1  1.000  0.035  0.188  1.0
  B  B21  1  1.000  0.965  0.812  1.0
  B  B22  1  1.000  0.535  0.312  1.0
  B  B23  1  0.000  0.465  0.688  1.0
  B  B24  1  1.000  0.346  0.197  1.0
  B  B25  1  0.000  0.654  0.803  1.0
[/CIF]
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The material structure described by Th2NiB10 crystallizes in the orthorhombic Pbam space group. Th(1) is bonded in a 22-coordinate geometry to two equivalent Ni(1), four equivalent B(1), four equivalent B(2), four equivalent B(4), and eight equivalent B(3) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Th(1), two equivalent B(1), two equivalent B(4), and four equivalent B(3) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Ni(1), one B(1), one B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Th(1), one B(1), two equivalent B(3), and two equivalent B(4) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Ni(1), one B(1), one B(2), one B(3), and one B(4) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Th(1), one Ni(1), two equivalent B(2), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_Th2NiB10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.178
_cell_length_b   5.643
_cell_length_c   11.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.116
_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  0.500  0.306  0.864  1.0
  Th  Th1  1  0.500  0.694  0.136  1.0
  Th  Th2  1  0.500  0.806  0.636  1.0
  Th  Th3  1  0.500  0.194  0.364  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  1.000  1.000  1.000  1.0
  B  B6  1  1.000  0.125  0.541  1.0
  B  B7  1  1.000  0.875  0.459  1.0
  B  B8  1  0.000  0.625  0.959  1.0
  B  B9  1  0.000  0.375  0.041  1.0
  B  B10  1  0.000  0.154  0.697  1.0
  B  B11  1  1.000  0.846  0.303  1.0
  B  B12  1  0.300  0.201  0.113  1.0
  B  B13  1  0.300  0.799  0.887  1.0
  B  B14  1  0.700  0.701  0.387  1.0
  B  B15  1  0.700  0.299  0.613  1.0
  B  B16  1  0.700  0.799  0.887  1.0
  B  B17  1  0.700  0.201  0.113  1.0
  B  B18  1  0.300  0.299  0.613  1.0
  B  B19  1  0.300  0.701  0.387  1.0
  B  B20  1  1.000  0.035  0.188  1.0
  B  B21  1  1.000  0.965  0.812  1.0
  B  B22  1  1.000  0.535  0.312  1.0
  B  B23  1  0.000  0.465  0.688  1.0
  B  B24  1  1.000  0.346  0.197  1.0
  B  B25  1  0.000  0.654  0.803  1.0
[/CIF]
.