The compound described by Nd2NiB10 crystallizes in the orthorhombic Pbam space group. Nd(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 Nd(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 Nd(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 Nd(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 Nd(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 Nd(1), one Ni(1), two equivalent B(2), and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2NiB10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.193
_cell_length_b   5.624
_cell_length_c   11.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.114
_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
  Nd  Nd0  1  0.500  0.312  0.863  1.0
  Nd  Nd1  1  0.500  0.688  0.137  1.0
  Nd  Nd2  1  0.500  0.812  0.637  1.0
  Nd  Nd3  1  0.500  0.188  0.363  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.000  1.000  1.000  1.0
  B  B6  1  1.000  0.127  0.541  1.0
  B  B7  1  1.000  0.873  0.459  1.0
  B  B8  1  1.000  0.627  0.959  1.0
  B  B9  1  1.000  0.373  0.041  1.0
  B  B10  1  1.000  0.159  0.698  1.0
  B  B11  1  1.000  0.841  0.302  1.0
  B  B12  1  0.300  0.200  0.114  1.0
  B  B13  1  0.300  0.800  0.886  1.0
  B  B14  1  0.700  0.700  0.386  1.0
  B  B15  1  0.700  0.300  0.614  1.0
  B  B16  1  0.700  0.800  0.886  1.0
  B  B17  1  0.700  0.200  0.114  1.0
  B  B18  1  0.300  0.300  0.614  1.0
  B  B19  1  0.300  0.700  0.386  1.0
  B  B20  1  1.000  0.032  0.187  1.0
  B  B21  1  1.000  0.968  0.813  1.0
  B  B22  1  1.000  0.532  0.313  1.0
  B  B23  1  1.000  0.468  0.687  1.0
  B  B24  1  1.000  0.341  0.198  1.0
  B  B25  1  1.000  0.659  0.802  1.0
[/CIF]
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The compound described by Nd2NiB10 crystallizes in the orthorhombic Pbam space group. Nd(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 Nd(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 Nd(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 Nd(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 Nd(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 Nd(1), one Ni(1), two equivalent B(2), and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2NiB10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.193
_cell_length_b   5.624
_cell_length_c   11.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.114
_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
  Nd  Nd0  1  0.500  0.312  0.863  1.0
  Nd  Nd1  1  0.500  0.688  0.137  1.0
  Nd  Nd2  1  0.500  0.812  0.637  1.0
  Nd  Nd3  1  0.500  0.188  0.363  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.000  1.000  1.000  1.0
  B  B6  1  1.000  0.127  0.541  1.0
  B  B7  1  1.000  0.873  0.459  1.0
  B  B8  1  1.000  0.627  0.959  1.0
  B  B9  1  1.000  0.373  0.041  1.0
  B  B10  1  1.000  0.159  0.698  1.0
  B  B11  1  1.000  0.841  0.302  1.0
  B  B12  1  0.300  0.200  0.114  1.0
  B  B13  1  0.300  0.800  0.886  1.0
  B  B14  1  0.700  0.700  0.386  1.0
  B  B15  1  0.700  0.300  0.614  1.0
  B  B16  1  0.700  0.800  0.886  1.0
  B  B17  1  0.700  0.200  0.114  1.0
  B  B18  1  0.300  0.300  0.614  1.0
  B  B19  1  0.300  0.700  0.386  1.0
  B  B20  1  1.000  0.032  0.187  1.0
  B  B21  1  1.000  0.968  0.813  1.0
  B  B22  1  1.000  0.532  0.313  1.0
  B  B23  1  1.000  0.468  0.687  1.0
  B  B24  1  1.000  0.341  0.198  1.0
  B  B25  1  1.000  0.659  0.802  1.0
[/CIF]
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