The compound described by Ca(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded to six equivalent Rh(1) and six equivalent As(1) atoms to form face-sharing CaAs6Rh6 cuboctahedra. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent As(1), and two equivalent As(2) atoms. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Rh(1), and four equivalent Rh(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to three equivalent Rh(2) and six equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_Ca(As2Rh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.235
_cell_length_b   7.235
_cell_length_c   3.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   171.210
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  As  As1  1  0.812  0.188  0.500  1.0
  As  As2  1  0.376  0.188  0.500  1.0
  As  As3  1  0.333  0.667  0.000  1.0
  As  As4  1  0.812  0.624  0.500  1.0
  Rh  Rh5  1  0.200  0.800  0.500  1.0
  Rh  Rh6  1  0.200  0.400  0.500  1.0
  Rh  Rh7  1  0.535  0.070  0.000  1.0
  Rh  Rh8  1  0.930  0.465  0.000  1.0
  Rh  Rh9  1  0.535  0.465  0.000  1.0
  Rh  Rh10  1  0.600  0.800  0.500  1.0
[/CIF]
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The compound described by Ca(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded to six equivalent Rh(1) and six equivalent As(1) atoms to form face-sharing CaAs6Rh6 cuboctahedra. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent As(1), and two equivalent As(2) atoms. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Rh(1), and four equivalent Rh(2) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to three equivalent Rh(2) and six equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_Ca(As2Rh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.235
_cell_length_b   7.235
_cell_length_c   3.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   171.210
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  As  As1  1  0.812  0.188  0.500  1.0
  As  As2  1  0.376  0.188  0.500  1.0
  As  As3  1  0.333  0.667  0.000  1.0
  As  As4  1  0.812  0.624  0.500  1.0
  Rh  Rh5  1  0.200  0.800  0.500  1.0
  Rh  Rh6  1  0.200  0.400  0.500  1.0
  Rh  Rh7  1  0.535  0.070  0.000  1.0
  Rh  Rh8  1  0.930  0.465  0.000  1.0
  Rh  Rh9  1  0.535  0.465  0.000  1.0
  Rh  Rh10  1  0.600  0.800  0.500  1.0
[/CIF]
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