The structure described by Zr5Co4Ni is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent Ni(1) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent Co(2) atoms. In the third Zr site, Zr(3) is bonded in a body-centered cubic geometry to eight equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Zr(2) atoms. In the second Co site, Co(2) is bonded in a body-centered cubic geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr5Co4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.221
_cell_length_b   3.221
_cell_length_c   16.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.613
_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  0.500  0.500  0.101  1.0
  Zr  Zr1  1  0.500  0.500  0.300  1.0
  Zr  Zr2  1  0.500  0.500  0.500  1.0
  Zr  Zr3  1  0.500  0.500  0.700  1.0
  Zr  Zr4  1  0.500  0.500  0.899  1.0
  Co  Co5  1  0.000  0.000  0.201  1.0
  Co  Co6  1  0.000  0.000  0.400  1.0
  Co  Co7  1  0.000  0.000  0.600  1.0
  Co  Co8  1  0.000  0.000  0.799  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Zr5Co4Ni is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent Ni(1) atoms. In the second Zr site, Zr(2) is bonded in a body-centered cubic geometry to four equivalent Co(1) and four equivalent Co(2) atoms. In the third Zr site, Zr(3) is bonded in a body-centered cubic geometry to eight equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Zr(2) atoms. In the second Co site, Co(2) is bonded in a body-centered cubic geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr5Co4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.221
_cell_length_b   3.221
_cell_length_c   16.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.613
_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  0.500  0.500  0.101  1.0
  Zr  Zr1  1  0.500  0.500  0.300  1.0
  Zr  Zr2  1  0.500  0.500  0.500  1.0
  Zr  Zr3  1  0.500  0.500  0.700  1.0
  Zr  Zr4  1  0.500  0.500  0.899  1.0
  Co  Co5  1  0.000  0.000  0.201  1.0
  Co  Co6  1  0.000  0.000  0.400  1.0
  Co  Co7  1  0.000  0.000  0.600  1.0
  Co  Co8  1  0.000  0.000  0.799  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
[/CIF]
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