The structure described by Zr2Ni7 crystallizes in the monoclinic C2/m space group. Zr(1) is bonded in a 14-coordinate geometry to two equivalent Ni(1), four equivalent Ni(3), and eight equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(3) is bonded to four equivalent Zr(1), two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiZr4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to four equivalent Zr(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, corner, and face-sharing NiZr4Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded in a 12-coordinate geometry to four equivalent Zr(1), one Ni(1), two equivalent Ni(3), and five equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.643
_cell_length_b   4.691
_cell_length_c   6.246
_cell_angle_alpha   82.089
_cell_angle_beta   73.850
_cell_angle_gamma   60.341
_symmetry_Int_Tables_number   1
_cell_volume   113.556
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.961  0.333  0.157  1.0
  Ni  Ni2  1  0.706  0.333  0.843  1.0
  Ni  Ni3  1  0.039  0.667  0.843  1.0
  Ni  Ni4  1  0.294  0.667  0.157  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Zr  Zr7  1  0.609  0.000  0.228  1.0
  Zr  Zr8  1  0.391  0.000  0.772  1.0
[/CIF]
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The structure described by Zr2Ni7 crystallizes in the monoclinic C2/m space group. Zr(1) is bonded in a 14-coordinate geometry to two equivalent Ni(1), four equivalent Ni(3), and eight equivalent Ni(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(3) is bonded to four equivalent Zr(1), two equivalent Ni(1), two equivalent Ni(3), and four equivalent Ni(2) atoms to form a mixture of edge, corner, and face-sharing NiZr4Ni8 cuboctahedra. In the second Ni site, Ni(1) is bonded to four equivalent Zr(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of edge, corner, and face-sharing NiZr4Ni8 cuboctahedra. In the third Ni site, Ni(2) is bonded in a 12-coordinate geometry to four equivalent Zr(1), one Ni(1), two equivalent Ni(3), and five equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.643
_cell_length_b   4.691
_cell_length_c   6.246
_cell_angle_alpha   82.089
_cell_angle_beta   73.850
_cell_angle_gamma   60.341
_symmetry_Int_Tables_number   1
_cell_volume   113.556
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.961  0.333  0.157  1.0
  Ni  Ni2  1  0.706  0.333  0.843  1.0
  Ni  Ni3  1  0.039  0.667  0.843  1.0
  Ni  Ni4  1  0.294  0.667  0.157  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.500  0.500  1.0
  Zr  Zr7  1  0.609  0.000  0.228  1.0
  Zr  Zr8  1  0.391  0.000  0.772  1.0
[/CIF]
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