The compound described by Zr6Ni16Si7 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Si(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to three equivalent Zr(1), three equivalent Ni(1), three equivalent Ni(2), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent Zr(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of face and corner-sharing SiZr4Ni8 cuboctahedra. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Zr6Si7Ni16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.051
_cell_length_b   8.051
_cell_length_c   8.051
_cell_angle_alpha   60.004
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   368.984
_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
  Zr  Zr0  1  0.792  0.208  0.792  1.0
  Zr  Zr1  1  0.792  0.792  0.208  1.0
  Zr  Zr2  1  0.208  0.792  0.792  1.0
  Zr  Zr3  1  0.208  0.208  0.792  1.0
  Zr  Zr4  1  0.792  0.208  0.208  1.0
  Zr  Zr5  1  0.208  0.792  0.208  1.0
  Si  Si6  1  1.000  0.500  1.000  1.0
  Si  Si7  1  0.500  0.500  0.500  1.0
  Si  Si8  1  0.500  0.500  1.000  1.0
  Si  Si9  1  0.500  1.000  0.500  1.0
  Si  Si10  1  1.000  0.500  0.500  1.0
  Si  Si11  1  1.000  1.000  0.500  1.0
  Si  Si12  1  0.500  1.000  1.000  1.0
  Ni  Ni13  1  0.169  0.169  0.169  1.0
  Ni  Ni14  1  0.619  0.618  0.144  1.0
  Ni  Ni15  1  0.381  0.382  0.382  1.0
  Ni  Ni16  1  0.169  0.492  0.169  1.0
  Ni  Ni17  1  0.169  0.169  0.492  1.0
  Ni  Ni18  1  0.144  0.619  0.619  1.0
  Ni  Ni19  1  0.619  0.144  0.619  1.0
  Ni  Ni20  1  0.831  0.831  0.831  1.0
  Ni  Ni21  1  0.855  0.382  0.382  1.0
  Ni  Ni22  1  0.382  0.382  0.855  1.0
  Ni  Ni23  1  0.382  0.855  0.382  1.0
  Ni  Ni24  1  0.508  0.831  0.831  1.0
  Ni  Ni25  1  0.619  0.619  0.619  1.0
  Ni  Ni26  1  0.831  0.831  0.508  1.0
  Ni  Ni27  1  0.492  0.169  0.169  1.0
  Ni  Ni28  1  0.831  0.508  0.831  1.0
[/CIF]
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The compound described by Zr6Ni16Si7 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and four equivalent Si(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Ni(1), three equivalent Ni(2), and three equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded in a 13-coordinate geometry to three equivalent Zr(1), three equivalent Ni(1), three equivalent Ni(2), one Si(2), and three equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to four equivalent Zr(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of face and corner-sharing SiZr4Ni8 cuboctahedra. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Zr6Si7Ni16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.051
_cell_length_b   8.051
_cell_length_c   8.051
_cell_angle_alpha   60.004
_cell_angle_beta   60.004
_cell_angle_gamma   60.004
_symmetry_Int_Tables_number   1
_cell_volume   368.984
_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
  Zr  Zr0  1  0.792  0.208  0.792  1.0
  Zr  Zr1  1  0.792  0.792  0.208  1.0
  Zr  Zr2  1  0.208  0.792  0.792  1.0
  Zr  Zr3  1  0.208  0.208  0.792  1.0
  Zr  Zr4  1  0.792  0.208  0.208  1.0
  Zr  Zr5  1  0.208  0.792  0.208  1.0
  Si  Si6  1  1.000  0.500  1.000  1.0
  Si  Si7  1  0.500  0.500  0.500  1.0
  Si  Si8  1  0.500  0.500  1.000  1.0
  Si  Si9  1  0.500  1.000  0.500  1.0
  Si  Si10  1  1.000  0.500  0.500  1.0
  Si  Si11  1  1.000  1.000  0.500  1.0
  Si  Si12  1  0.500  1.000  1.000  1.0
  Ni  Ni13  1  0.169  0.169  0.169  1.0
  Ni  Ni14  1  0.619  0.618  0.144  1.0
  Ni  Ni15  1  0.381  0.382  0.382  1.0
  Ni  Ni16  1  0.169  0.492  0.169  1.0
  Ni  Ni17  1  0.169  0.169  0.492  1.0
  Ni  Ni18  1  0.144  0.619  0.619  1.0
  Ni  Ni19  1  0.619  0.144  0.619  1.0
  Ni  Ni20  1  0.831  0.831  0.831  1.0
  Ni  Ni21  1  0.855  0.382  0.382  1.0
  Ni  Ni22  1  0.382  0.382  0.855  1.0
  Ni  Ni23  1  0.382  0.855  0.382  1.0
  Ni  Ni24  1  0.508  0.831  0.831  1.0
  Ni  Ni25  1  0.619  0.619  0.619  1.0
  Ni  Ni26  1  0.831  0.831  0.508  1.0
  Ni  Ni27  1  0.492  0.169  0.169  1.0
  Ni  Ni28  1  0.831  0.508  0.831  1.0
[/CIF]
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