The material structure described by ZrMnNi1.0 crystallizes in the orthorhombic Imma space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), six equivalent Mn(1), and six equivalent Ni(1) atoms. Mn(1) is bonded to six equivalent Zr(1), two equivalent Mn(1), and four equivalent Ni(1) atoms to form distorted MnZr6Mn2Ni4 cuboctahedra that share corners with eight equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, corners with ten equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, edges with six equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, faces with six equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, and faces with twelve equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra. Ni(1) is bonded to six equivalent Zr(1), four equivalent Mn(1), and two equivalent Ni(1) atoms to form NiZr6Mn4Ni2 cuboctahedra that share corners with eight equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, corners with ten equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, edges with six equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, faces with six equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, and faces with twelve equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_ZrMnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.006
_cell_length_b   5.006
_cell_length_c   5.006
_cell_angle_alpha   89.852
_cell_angle_beta   60.160
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   88.822
_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  0.749  0.751  1.0
  Zr  Zr1  1  0.000  0.001  0.999  1.0
  Mn  Mn2  1  0.750  0.375  0.875  1.0
  Mn  Mn3  1  0.250  0.375  0.375  1.0
  Ni  Ni4  1  0.250  0.875  0.375  1.0
  Ni  Ni5  1  0.750  0.375  0.375  1.0
[/CIF]
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The material structure described by ZrMnNi1.0 crystallizes in the orthorhombic Imma space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), six equivalent Mn(1), and six equivalent Ni(1) atoms. Mn(1) is bonded to six equivalent Zr(1), two equivalent Mn(1), and four equivalent Ni(1) atoms to form distorted MnZr6Mn2Ni4 cuboctahedra that share corners with eight equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, corners with ten equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, edges with six equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, faces with six equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, and faces with twelve equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra. Ni(1) is bonded to six equivalent Zr(1), four equivalent Mn(1), and two equivalent Ni(1) atoms to form NiZr6Mn4Ni2 cuboctahedra that share corners with eight equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra, corners with ten equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, edges with six equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, faces with six equivalent Ni(1)Zr6Mn4Ni2 cuboctahedra, and faces with twelve equivalent Mn(1)Zr6Mn2Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_ZrMnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.006
_cell_length_b   5.006
_cell_length_c   5.006
_cell_angle_alpha   89.852
_cell_angle_beta   60.160
_cell_angle_gamma   119.988
_symmetry_Int_Tables_number   1
_cell_volume   88.822
_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  0.749  0.751  1.0
  Zr  Zr1  1  0.000  0.001  0.999  1.0
  Mn  Mn2  1  0.750  0.375  0.875  1.0
  Mn  Mn3  1  0.250  0.375  0.375  1.0
  Ni  Ni4  1  0.250  0.875  0.375  1.0
  Ni  Ni5  1  0.750  0.375  0.375  1.0
[/CIF]
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