The material structure described by Zr3Rh crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Rh(1) atoms to form distorted ZrZr8Rh4 cuboctahedra that share corners with twelve equivalent Zr(1)Zr8Rh4 cuboctahedra, edges with eight equivalent Zr(1)Zr8Rh4 cuboctahedra, edges with eight equivalent Rh(1)Zr12 cuboctahedra, faces with four equivalent Rh(1)Zr12 cuboctahedra, and faces with ten equivalent Zr(1)Zr8Rh4 cuboctahedra. In the second Zr site, Zr(2) is bonded in a square co-planar geometry to eight equivalent Zr(1) and four equivalent Rh(1) atoms. Rh(1) is bonded to four equivalent Zr(2) and eight equivalent Zr(1) atoms to form RhZr12 cuboctahedra that share corners with four equivalent Rh(1)Zr12 cuboctahedra, edges with eight equivalent Rh(1)Zr12 cuboctahedra, edges with sixteen equivalent Zr(1)Zr8Rh4 cuboctahedra, faces with four equivalent Rh(1)Zr12 cuboctahedra, and faces with eight equivalent Zr(1)Zr8Rh4 cuboctahedra. is represented by the CIF card [CIF]
data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.784
_cell_length_c   5.784
_cell_angle_alpha   139.268
_cell_angle_beta   139.268
_cell_angle_gamma   58.967
_symmetry_Int_Tables_number   1
_cell_volume   81.592
_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  0.750  0.250  0.500  1.0
  Zr  Zr1  1  0.250  0.750  0.500  1.0
  Zr  Zr2  1  0.500  0.500  0.000  1.0
  Rh  Rh3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Zr3Rh crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Rh(1) atoms to form distorted ZrZr8Rh4 cuboctahedra that share corners with twelve equivalent Zr(1)Zr8Rh4 cuboctahedra, edges with eight equivalent Zr(1)Zr8Rh4 cuboctahedra, edges with eight equivalent Rh(1)Zr12 cuboctahedra, faces with four equivalent Rh(1)Zr12 cuboctahedra, and faces with ten equivalent Zr(1)Zr8Rh4 cuboctahedra. In the second Zr site, Zr(2) is bonded in a square co-planar geometry to eight equivalent Zr(1) and four equivalent Rh(1) atoms. Rh(1) is bonded to four equivalent Zr(2) and eight equivalent Zr(1) atoms to form RhZr12 cuboctahedra that share corners with four equivalent Rh(1)Zr12 cuboctahedra, edges with eight equivalent Rh(1)Zr12 cuboctahedra, edges with sixteen equivalent Zr(1)Zr8Rh4 cuboctahedra, faces with four equivalent Rh(1)Zr12 cuboctahedra, and faces with eight equivalent Zr(1)Zr8Rh4 cuboctahedra. is represented by the CIF card [CIF]
data_Zr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   5.784
_cell_length_c   5.784
_cell_angle_alpha   139.268
_cell_angle_beta   139.268
_cell_angle_gamma   58.967
_symmetry_Int_Tables_number   1
_cell_volume   81.592
_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  0.750  0.250  0.500  1.0
  Zr  Zr1  1  0.250  0.750  0.500  1.0
  Zr  Zr2  1  0.500  0.500  0.000  1.0
  Rh  Rh3  1  0.000  0.000  0.000  1.0
[/CIF]
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