The compound described by ThNi crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to three equivalent Ni(2) and four equivalent Ni(1) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Th(2), four equivalent Th(1), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ThNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.279
_cell_length_b   5.697
_cell_length_c   14.069
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.971
_cell_formula_units_Z   8
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  0.250  0.548  0.283  1.0
  Th  Th1  1  0.750  0.452  0.717  1.0
  Th  Th2  1  0.250  0.952  0.783  1.0
  Th  Th3  1  0.250  0.754  0.534  1.0
  Th  Th4  1  0.250  0.746  0.034  1.0
  Th  Th5  1  0.750  0.254  0.966  1.0
  Th  Th6  1  0.750  0.048  0.217  1.0
  Th  Th7  1  0.750  0.246  0.466  1.0
  Ni  Ni8  1  0.250  0.040  0.355  1.0
  Ni  Ni9  1  0.750  0.540  0.145  1.0
  Ni  Ni10  1  0.750  0.761  0.396  1.0
  Ni  Ni11  1  0.250  0.460  0.855  1.0
  Ni  Ni12  1  0.750  0.960  0.645  1.0
  Ni  Ni13  1  0.750  0.739  0.896  1.0
  Ni  Ni14  1  0.250  0.261  0.104  1.0
  Ni  Ni15  1  0.250  0.239  0.604  1.0
[/CIF]
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The compound described by ThNi crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 7-coordinate geometry to three equivalent Ni(2) and four equivalent Ni(1) atoms. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to three equivalent Ni(1) and four equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Th(2), four equivalent Th(1), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Th(1), four equivalent Th(2), and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_ThNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.279
_cell_length_b   5.697
_cell_length_c   14.069
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.971
_cell_formula_units_Z   8
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  0.250  0.548  0.283  1.0
  Th  Th1  1  0.750  0.452  0.717  1.0
  Th  Th2  1  0.250  0.952  0.783  1.0
  Th  Th3  1  0.250  0.754  0.534  1.0
  Th  Th4  1  0.250  0.746  0.034  1.0
  Th  Th5  1  0.750  0.254  0.966  1.0
  Th  Th6  1  0.750  0.048  0.217  1.0
  Th  Th7  1  0.750  0.246  0.466  1.0
  Ni  Ni8  1  0.250  0.040  0.355  1.0
  Ni  Ni9  1  0.750  0.540  0.145  1.0
  Ni  Ni10  1  0.750  0.761  0.396  1.0
  Ni  Ni11  1  0.250  0.460  0.855  1.0
  Ni  Ni12  1  0.750  0.960  0.645  1.0
  Ni  Ni13  1  0.750  0.739  0.896  1.0
  Ni  Ni14  1  0.250  0.261  0.104  1.0
  Ni  Ni15  1  0.250  0.239  0.604  1.0
[/CIF]
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