The material described by Rh3NiAs2 crystallizes in the orthorhombic Pmc2_1 space group. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 3-coordinate geometry to one As(2) and four equivalent As(1) atoms. In the second Rh site, Rh(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. In the third Rh site, Rh(3) is bonded in a 8-coordinate geometry to four equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. Ni(1) is bonded in a 11-coordinate geometry to two equivalent Rh(2), four equivalent Rh(3), one As(1), and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Rh(2), two equivalent Rh(3), four equivalent Rh(1), and one Ni(1) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Rh(1), two equivalent Rh(2), two equivalent Rh(3), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_NiAs2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   5.787
_cell_length_c   7.509
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.909
_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
  Ni  Ni0  1  0.500  0.463  0.569  1.0
  Ni  Ni1  1  0.500  0.963  0.431  1.0
  As  As2  1  0.500  0.273  0.857  1.0
  As  As3  1  0.500  0.773  0.143  1.0
  As  As4  1  0.000  0.731  0.640  1.0
  As  As5  1  0.000  0.231  0.360  1.0
  Rh  Rh6  1  0.000  0.528  0.929  1.0
  Rh  Rh7  1  0.000  0.028  0.071  1.0
  Rh  Rh8  1  0.500  0.351  0.182  1.0
  Rh  Rh9  1  0.500  0.851  0.818  1.0
  Rh  Rh10  1  0.000  0.653  0.329  1.0
  Rh  Rh11  1  0.000  0.153  0.671  1.0
[/CIF]
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The material described by Rh3NiAs2 crystallizes in the orthorhombic Pmc2_1 space group. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 3-coordinate geometry to one As(2) and four equivalent As(1) atoms. In the second Rh site, Rh(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. In the third Rh site, Rh(3) is bonded in a 8-coordinate geometry to four equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. Ni(1) is bonded in a 11-coordinate geometry to two equivalent Rh(2), four equivalent Rh(3), one As(1), and four equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Rh(2), two equivalent Rh(3), four equivalent Rh(1), and one Ni(1) atom. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Rh(1), two equivalent Rh(2), two equivalent Rh(3), and four equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_NiAs2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   5.787
_cell_length_c   7.509
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.909
_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
  Ni  Ni0  1  0.500  0.463  0.569  1.0
  Ni  Ni1  1  0.500  0.963  0.431  1.0
  As  As2  1  0.500  0.273  0.857  1.0
  As  As3  1  0.500  0.773  0.143  1.0
  As  As4  1  0.000  0.731  0.640  1.0
  As  As5  1  0.000  0.231  0.360  1.0
  Rh  Rh6  1  0.000  0.528  0.929  1.0
  Rh  Rh7  1  0.000  0.028  0.071  1.0
  Rh  Rh8  1  0.500  0.351  0.182  1.0
  Rh  Rh9  1  0.500  0.851  0.818  1.0
  Rh  Rh10  1  0.000  0.653  0.329  1.0
  Rh  Rh11  1  0.000  0.153  0.671  1.0
[/CIF]
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