data_As3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Rh
_chemical_formula_sum   'As6 Rh2'
_cell_volume   141.46
_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
  As  As0  1  0.3  0.0  0.61  1.0
  As  As1  1  0.91  0.0  0.61  1.0
  As  As2  1  0.61  0.3  0.0  1.0
  As  As3  1  0.61  0.91  0.0  1.0
  As  As4  1  0.0  0.61  0.91  1.0
  As  As5  1  0.0  0.61  0.3  1.0
  Rh  Rh6  1  0.61  0.61  0.61  1.0
  Rh  Rh7  1  0.0  0.0  0.0  1.0

data_As3Rh
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   As3Rh
_chemical_formula_sum   'As18 Rh6'
_cell_volume   424.39
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  As  As0  9  0.0  0.7  0.3  1.0
  As  As1  9  0.07  0.23  0.84  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.61  1.0

As As As As As As Rh Rh
RhAs3 crystallizes in the trigonal R3 space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted hexagonal planar geometry to three equivalent As(1) and three equivalent As(2) atoms. All Rh(1)-As(1) bond lengths are 2.59 Å. All Rh(1)-As(2) bond lengths are 2.59 Å. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. All Rh(2)-As(1) bond lengths are 2.59 Å. All Rh(2)-As(2) bond lengths are 2.11 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to one Rh(1), one Rh(2), and two equivalent As(2) atoms. There is one shorter (2.06 Å) and one longer (2.64 Å) As(1)-As(2) bond length. In the second As site, As(2) is bonded in a 3-coordinate geometry to one Rh(1), one Rh(2), and two equivalent As(1) atoms.