The material structure described by RhZrSn crystallizes in the hexagonal P-62c space group. Zr(1) is bonded in a 11-coordinate geometry to one Rh(2), four equivalent Rh(1), and six equivalent Sn(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Sn(1) atoms. In the second Rh site, Rh(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrSnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.361
_cell_length_b   7.361
_cell_length_c   7.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   342.391
_cell_formula_units_Z   6
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  0.594  0.983  0.750  1.0
  Zr  Zr1  1  0.389  0.406  0.750  1.0
  Zr  Zr2  1  0.017  0.611  0.750  1.0
  Zr  Zr3  1  0.611  0.017  0.250  1.0
  Zr  Zr4  1  0.406  0.389  0.250  1.0
  Zr  Zr5  1  0.983  0.594  0.250  1.0
  Sn  Sn6  1  0.270  0.000  0.000  1.0
  Sn  Sn7  1  0.730  0.730  0.500  1.0
  Sn  Sn8  1  0.000  0.270  0.500  1.0
  Sn  Sn9  1  0.000  0.270  0.000  1.0
  Sn  Sn10  1  0.730  0.730  0.000  1.0
  Sn  Sn11  1  0.270  0.000  0.500  1.0
  Rh  Rh12  1  0.667  0.333  0.964  1.0
  Rh  Rh13  1  0.667  0.333  0.536  1.0
  Rh  Rh14  1  0.333  0.667  0.036  1.0
  Rh  Rh15  1  0.333  0.667  0.464  1.0
  Rh  Rh16  1  0.000  0.000  0.750  1.0
  Rh  Rh17  1  0.000  0.000  0.250  1.0
[/CIF]
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The material structure described by RhZrSn crystallizes in the hexagonal P-62c space group. Zr(1) is bonded in a 11-coordinate geometry to one Rh(2), four equivalent Rh(1), and six equivalent Sn(1) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Sn(1) atoms. In the second Rh site, Rh(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Sn(1) atoms. Sn(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Rh(1), and two equivalent Rh(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrSnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.361
_cell_length_b   7.361
_cell_length_c   7.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   342.391
_cell_formula_units_Z   6
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  0.594  0.983  0.750  1.0
  Zr  Zr1  1  0.389  0.406  0.750  1.0
  Zr  Zr2  1  0.017  0.611  0.750  1.0
  Zr  Zr3  1  0.611  0.017  0.250  1.0
  Zr  Zr4  1  0.406  0.389  0.250  1.0
  Zr  Zr5  1  0.983  0.594  0.250  1.0
  Sn  Sn6  1  0.270  0.000  0.000  1.0
  Sn  Sn7  1  0.730  0.730  0.500  1.0
  Sn  Sn8  1  0.000  0.270  0.500  1.0
  Sn  Sn9  1  0.000  0.270  0.000  1.0
  Sn  Sn10  1  0.730  0.730  0.000  1.0
  Sn  Sn11  1  0.270  0.000  0.500  1.0
  Rh  Rh12  1  0.667  0.333  0.964  1.0
  Rh  Rh13  1  0.667  0.333  0.536  1.0
  Rh  Rh14  1  0.333  0.667  0.036  1.0
  Rh  Rh15  1  0.333  0.667  0.464  1.0
  Rh  Rh16  1  0.000  0.000  0.750  1.0
  Rh  Rh17  1  0.000  0.000  0.250  1.0
[/CIF]
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