The crystal structure described by Zr2Ni3Si7 crystallizes in the tetragonal I4mm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Si(1), four equivalent Si(3), and four equivalent Si(5) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), four equivalent Si(2), and four equivalent Si(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), four equivalent Ni(1), two equivalent Si(4), and two equivalent Si(5) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to four equivalent Zr(2), one Si(4), and four equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Ni(2), one Si(1), and four equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Si(5), and four equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to four equivalent Zr(2), one Ni(2), and four equivalent Ni(1) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Ni(1), and one Si(3) atom. is represented by the CIF card [CIF]
data_Zr2Si7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.912
_cell_length_b   3.912
_cell_length_c   11.962
_cell_angle_alpha   80.589
_cell_angle_beta   80.589
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.062
_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  0.142  0.142  0.716  1.0
  Zr  Zr1  1  0.850  0.850  0.300  1.0
  Si  Si2  1  0.548  0.048  0.904  1.0
  Si  Si3  1  0.048  0.548  0.904  1.0
  Si  Si4  1  0.446  0.946  0.108  1.0
  Si  Si5  1  0.946  0.446  0.108  1.0
  Si  Si6  1  0.606  0.606  0.788  1.0
  Si  Si7  1  0.304  0.304  0.391  1.0
  Si  Si8  1  0.705  0.705  0.590  1.0
  Ni  Ni9  1  0.752  0.252  0.496  1.0
  Ni  Ni10  1  0.252  0.752  0.496  1.0
  Ni  Ni11  1  0.401  0.401  0.198  1.0
[/CIF]
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The crystal structure described by Zr2Ni3Si7 crystallizes in the tetragonal I4mm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Si(1), four equivalent Si(3), and four equivalent Si(5) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), four equivalent Si(2), and four equivalent Si(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), four equivalent Ni(1), two equivalent Si(4), and two equivalent Si(5) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to four equivalent Zr(2), one Si(4), and four equivalent Si(2) atoms. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Ni(2), one Si(1), and four equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Si(5), and four equivalent Si(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to four equivalent Zr(2), one Ni(2), and four equivalent Ni(1) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Ni(1), and one Si(3) atom. is represented by the CIF card [CIF]
data_Zr2Si7Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.912
_cell_length_b   3.912
_cell_length_c   11.962
_cell_angle_alpha   80.589
_cell_angle_beta   80.589
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.062
_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  0.142  0.142  0.716  1.0
  Zr  Zr1  1  0.850  0.850  0.300  1.0
  Si  Si2  1  0.548  0.048  0.904  1.0
  Si  Si3  1  0.048  0.548  0.904  1.0
  Si  Si4  1  0.446  0.946  0.108  1.0
  Si  Si5  1  0.946  0.446  0.108  1.0
  Si  Si6  1  0.606  0.606  0.788  1.0
  Si  Si7  1  0.304  0.304  0.391  1.0
  Si  Si8  1  0.705  0.705  0.590  1.0
  Ni  Ni9  1  0.752  0.252  0.496  1.0
  Ni  Ni10  1  0.252  0.752  0.496  1.0
  Ni  Ni11  1  0.401  0.401  0.198  1.0
[/CIF]
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