data_NdAs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAs2Rh
_chemical_formula_sum   'Nd1 As2 Rh1'
_cell_volume   78.85
_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
  Nd  Nd2  1  0.4  0.4  0.4  1.0
  As  As0  1  0.11  0.11  0.11  1.0
  As  As1  1  0.7  0.7  0.7  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_NdAs2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NdAs2Rh
_chemical_formula_sum   'Nd3 As6 Rh3'
_cell_volume   236.54
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Nd  Nd0  3  0.0  0.0  0.6  1.0
  As  As1  3  0.0  0.0  0.3  1.0
  As  As2  3  0.0  0.0  0.89  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Nd As As Rh
Nd As As Rh 0 3 o o + 0 3 o + o 0 3 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o + + 2 3 + o + 2 3 + + o 
NdRhAs2 crystallizes in the trigonal R3m space group. Nd(1) is bonded in a 11-coordinate geometry to three equivalent Rh(1), four equivalent As(1), and four equivalent As(2) atoms. All Nd(1)-Rh(1) bond lengths are 2.90 Å. There are three shorter (2.81 Å) and one longer (3.52 Å) Nd(1)-As(1) bond length. There are three shorter (2.81 Å) and one longer (3.52 Å) Nd(1)-As(2) bond length. Rh(1) is bonded in a single-bond geometry to three equivalent Nd(1), one As(1), and three equivalent As(2) atoms. The Rh(1)-As(1) bond length is 1.24 Å. All Rh(1)-As(2) bond lengths are 2.81 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to four equivalent Nd(1) and one Rh(1) atom. In the second As site, As(2) is bonded in a 7-coordinate geometry to four equivalent Nd(1) and three equivalent Rh(1) atoms.