The crystal structure described by Zr(NiZn10)2 crystallizes in the cubic Fd-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zn(3) and twelve equivalent Zn(1) atoms. Ni(1) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form NiZn12 cuboctahedra that share corners with six equivalent Ni(1)Zn12 cuboctahedra, edges with eighteen equivalent Zn(1)ZrZn10Ni cuboctahedra, and faces with six equivalent Zn(1)ZrZn10Ni cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a distorted linear geometry to two equivalent Ni(1) and six equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded to one Zr(1), one Ni(1), two equivalent Zn(3), three equivalent Zn(2), and five equivalent Zn(1) atoms to form distorted ZnZrZn10Ni cuboctahedra that share corners with fifteen equivalent Zn(1)ZrZn10Ni cuboctahedra, edges with two equivalent Zn(1)ZrZn10Ni cuboctahedra, edges with three equivalent Ni(1)Zn12 cuboctahedra,  a faceface with one Ni(1)Zn12 cuboctahedra, and faces with fifteen equivalent Zn(1)ZrZn10Ni cuboctahedra. In the third Zn site, Zn(3) is bonded in a 14-coordinate geometry to two equivalent Zr(1) and twelve equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(Zn10Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.863
_cell_length_b   9.863
_cell_length_c   9.863
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   678.495
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  Zr  Zr1  1  0.750  0.750  0.750  1.0
  Zn  Zn2  1  0.568  0.302  0.302  1.0
  Zn  Zn3  1  0.302  0.568  0.828  1.0
  Zn  Zn4  1  0.302  0.828  0.568  1.0
  Zn  Zn5  1  0.828  0.302  0.302  1.0
  Zn  Zn6  1  0.302  0.302  0.568  1.0
  Zn  Zn7  1  0.568  0.828  0.302  1.0
  Zn  Zn8  1  0.828  0.568  0.302  1.0
  Zn  Zn9  1  0.302  0.302  0.828  1.0
  Zn  Zn10  1  0.302  0.568  0.302  1.0
  Zn  Zn11  1  0.828  0.302  0.568  1.0
  Zn  Zn12  1  0.568  0.302  0.828  1.0
  Zn  Zn13  1  0.302  0.828  0.302  1.0
  Zn  Zn14  1  0.682  0.948  0.948  1.0
  Zn  Zn15  1  0.948  0.682  0.422  1.0
  Zn  Zn16  1  0.948  0.422  0.682  1.0
  Zn  Zn17  1  0.422  0.948  0.948  1.0
  Zn  Zn18  1  0.948  0.948  0.682  1.0
  Zn  Zn19  1  0.682  0.422  0.948  1.0
  Zn  Zn20  1  0.422  0.682  0.948  1.0
  Zn  Zn21  1  0.948  0.948  0.422  1.0
  Zn  Zn22  1  0.948  0.682  0.948  1.0
  Zn  Zn23  1  0.422  0.948  0.682  1.0
  Zn  Zn24  1  0.682  0.948  0.422  1.0
  Zn  Zn25  1  0.948  0.422  0.948  1.0
  Zn  Zn26  1  0.862  0.862  0.138  1.0
  Zn  Zn27  1  0.138  0.138  0.862  1.0
  Zn  Zn28  1  0.862  0.138  0.862  1.0
  Zn  Zn29  1  0.138  0.862  0.138  1.0
  Zn  Zn30  1  0.138  0.862  0.862  1.0
  Zn  Zn31  1  0.862  0.138  0.138  1.0
  Zn  Zn32  1  0.388  0.388  0.112  1.0
  Zn  Zn33  1  0.112  0.112  0.388  1.0
  Zn  Zn34  1  0.388  0.112  0.388  1.0
  Zn  Zn35  1  0.112  0.388  0.112  1.0
  Zn  Zn36  1  0.112  0.388  0.388  1.0
  Zn  Zn37  1  0.388  0.112  0.112  1.0
  Zn  Zn38  1  0.125  0.625  0.625  1.0
  Zn  Zn39  1  0.625  0.125  0.625  1.0
  Zn  Zn40  1  0.625  0.625  0.125  1.0
  Zn  Zn41  1  0.625  0.625  0.625  1.0
  Ni  Ni42  1  0.625  0.125  0.125  1.0
  Ni  Ni43  1  0.125  0.625  0.125  1.0
  Ni  Ni44  1  0.125  0.125  0.625  1.0
  Ni  Ni45  1  0.125  0.125  0.125  1.0
[/CIF]
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The crystal structure described by Zr(NiZn10)2 crystallizes in the cubic Fd-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zn(3) and twelve equivalent Zn(1) atoms. Ni(1) is bonded to six equivalent Zn(1) and six equivalent Zn(2) atoms to form NiZn12 cuboctahedra that share corners with six equivalent Ni(1)Zn12 cuboctahedra, edges with eighteen equivalent Zn(1)ZrZn10Ni cuboctahedra, and faces with six equivalent Zn(1)ZrZn10Ni cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(2) is bonded in a distorted linear geometry to two equivalent Ni(1) and six equivalent Zn(1) atoms. In the second Zn site, Zn(1) is bonded to one Zr(1), one Ni(1), two equivalent Zn(3), three equivalent Zn(2), and five equivalent Zn(1) atoms to form distorted ZnZrZn10Ni cuboctahedra that share corners with fifteen equivalent Zn(1)ZrZn10Ni cuboctahedra, edges with two equivalent Zn(1)ZrZn10Ni cuboctahedra, edges with three equivalent Ni(1)Zn12 cuboctahedra,  a faceface with one Ni(1)Zn12 cuboctahedra, and faces with fifteen equivalent Zn(1)ZrZn10Ni cuboctahedra. In the third Zn site, Zn(3) is bonded in a 14-coordinate geometry to two equivalent Zr(1) and twelve equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(Zn10Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.863
_cell_length_b   9.863
_cell_length_c   9.863
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   678.495
_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
  Zr  Zr0  1  0.500  0.500  0.500  1.0
  Zr  Zr1  1  0.750  0.750  0.750  1.0
  Zn  Zn2  1  0.568  0.302  0.302  1.0
  Zn  Zn3  1  0.302  0.568  0.828  1.0
  Zn  Zn4  1  0.302  0.828  0.568  1.0
  Zn  Zn5  1  0.828  0.302  0.302  1.0
  Zn  Zn6  1  0.302  0.302  0.568  1.0
  Zn  Zn7  1  0.568  0.828  0.302  1.0
  Zn  Zn8  1  0.828  0.568  0.302  1.0
  Zn  Zn9  1  0.302  0.302  0.828  1.0
  Zn  Zn10  1  0.302  0.568  0.302  1.0
  Zn  Zn11  1  0.828  0.302  0.568  1.0
  Zn  Zn12  1  0.568  0.302  0.828  1.0
  Zn  Zn13  1  0.302  0.828  0.302  1.0
  Zn  Zn14  1  0.682  0.948  0.948  1.0
  Zn  Zn15  1  0.948  0.682  0.422  1.0
  Zn  Zn16  1  0.948  0.422  0.682  1.0
  Zn  Zn17  1  0.422  0.948  0.948  1.0
  Zn  Zn18  1  0.948  0.948  0.682  1.0
  Zn  Zn19  1  0.682  0.422  0.948  1.0
  Zn  Zn20  1  0.422  0.682  0.948  1.0
  Zn  Zn21  1  0.948  0.948  0.422  1.0
  Zn  Zn22  1  0.948  0.682  0.948  1.0
  Zn  Zn23  1  0.422  0.948  0.682  1.0
  Zn  Zn24  1  0.682  0.948  0.422  1.0
  Zn  Zn25  1  0.948  0.422  0.948  1.0
  Zn  Zn26  1  0.862  0.862  0.138  1.0
  Zn  Zn27  1  0.138  0.138  0.862  1.0
  Zn  Zn28  1  0.862  0.138  0.862  1.0
  Zn  Zn29  1  0.138  0.862  0.138  1.0
  Zn  Zn30  1  0.138  0.862  0.862  1.0
  Zn  Zn31  1  0.862  0.138  0.138  1.0
  Zn  Zn32  1  0.388  0.388  0.112  1.0
  Zn  Zn33  1  0.112  0.112  0.388  1.0
  Zn  Zn34  1  0.388  0.112  0.388  1.0
  Zn  Zn35  1  0.112  0.388  0.112  1.0
  Zn  Zn36  1  0.112  0.388  0.388  1.0
  Zn  Zn37  1  0.388  0.112  0.112  1.0
  Zn  Zn38  1  0.125  0.625  0.625  1.0
  Zn  Zn39  1  0.625  0.125  0.625  1.0
  Zn  Zn40  1  0.625  0.625  0.125  1.0
  Zn  Zn41  1  0.625  0.625  0.625  1.0
  Ni  Ni42  1  0.625  0.125  0.125  1.0
  Ni  Ni43  1  0.125  0.625  0.125  1.0
  Ni  Ni44  1  0.125  0.125  0.625  1.0
  Ni  Ni45  1  0.125  0.125  0.125  1.0
[/CIF]
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