The crystal structure described by Th7Ni3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the second Th site, Th(3) is bonded in a distorted water-like geometry to two equivalent Ni(1) atoms. In the third Th site, Th(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Th(3), and three equivalent Th(2) atoms. is represented by the CIF card [CIF]
data_Th7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.813
_cell_length_b   9.813
_cell_length_c   6.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   518.140
_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  0.333  0.667  0.071  1.0
  Th  Th1  1  0.667  0.333  0.571  1.0
  Th  Th2  1  0.127  0.873  0.241  1.0
  Th  Th3  1  0.254  0.127  0.741  1.0
  Th  Th4  1  0.873  0.746  0.741  1.0
  Th  Th5  1  0.127  0.254  0.241  1.0
  Th  Th6  1  0.746  0.873  0.241  1.0
  Th  Th7  1  0.873  0.127  0.741  1.0
  Th  Th8  1  0.545  0.455  0.040  1.0
  Th  Th9  1  0.089  0.545  0.540  1.0
  Th  Th10  1  0.455  0.911  0.540  1.0
  Th  Th11  1  0.545  0.089  0.040  1.0
  Th  Th12  1  0.911  0.455  0.040  1.0
  Th  Th13  1  0.455  0.545  0.540  1.0
  Ni  Ni14  1  0.814  0.186  0.305  1.0
  Ni  Ni15  1  0.629  0.814  0.805  1.0
  Ni  Ni16  1  0.186  0.371  0.805  1.0
  Ni  Ni17  1  0.814  0.629  0.305  1.0
  Ni  Ni18  1  0.371  0.186  0.305  1.0
  Ni  Ni19  1  0.186  0.814  0.805  1.0
[/CIF]
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The crystal structure described by Th7Ni3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Th sites. In the first Th site, Th(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the second Th site, Th(3) is bonded in a distorted water-like geometry to two equivalent Ni(1) atoms. In the third Th site, Th(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to one Th(1), two equivalent Th(3), and three equivalent Th(2) atoms. is represented by the CIF card [CIF]
data_Th7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.813
_cell_length_b   9.813
_cell_length_c   6.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   518.140
_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  0.333  0.667  0.071  1.0
  Th  Th1  1  0.667  0.333  0.571  1.0
  Th  Th2  1  0.127  0.873  0.241  1.0
  Th  Th3  1  0.254  0.127  0.741  1.0
  Th  Th4  1  0.873  0.746  0.741  1.0
  Th  Th5  1  0.127  0.254  0.241  1.0
  Th  Th6  1  0.746  0.873  0.241  1.0
  Th  Th7  1  0.873  0.127  0.741  1.0
  Th  Th8  1  0.545  0.455  0.040  1.0
  Th  Th9  1  0.089  0.545  0.540  1.0
  Th  Th10  1  0.455  0.911  0.540  1.0
  Th  Th11  1  0.545  0.089  0.040  1.0
  Th  Th12  1  0.911  0.455  0.040  1.0
  Th  Th13  1  0.455  0.545  0.540  1.0
  Ni  Ni14  1  0.814  0.186  0.305  1.0
  Ni  Ni15  1  0.629  0.814  0.805  1.0
  Ni  Ni16  1  0.186  0.371  0.805  1.0
  Ni  Ni17  1  0.814  0.629  0.305  1.0
  Ni  Ni18  1  0.371  0.186  0.305  1.0
  Ni  Ni19  1  0.186  0.814  0.805  1.0
[/CIF]
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