The material described by Rh4Si5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to three equivalent Si(3) and three equivalent Si(4) atoms to form distorted edge-sharing RhSi6 octahedra. In the second Rh site, Rh(2) is bonded in a 6-coordinate geometry to one Si(4), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. In the third Rh site, Rh(3) is bonded in a 7-coordinate geometry to one Si(1), one Si(2), one Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the fourth Rh site, Rh(4) is bonded to one Si(5), three equivalent Si(1), and three equivalent Si(2) atoms to form distorted edge-sharing RhSi7 pentagonal bipyramids. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one Rh(3) and three equivalent Rh(4) atoms to form a mixture of distorted edge and corner-sharing SiRh4 tetrahedra. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to one Rh(3), two equivalent Rh(2), and three equivalent Rh(4) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Rh(3), two equivalent Rh(2), and three equivalent Rh(1) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to one Rh(2), two equivalent Rh(3), and three equivalent Rh(1) atoms. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Rh(2), one Rh(4), and two equivalent Rh(3) atoms. is represented by the CIF card [CIF]
data_Si5Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.530
_cell_length_b   5.942
_cell_length_c   12.343
_cell_angle_alpha   100.124
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.845
_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
  Si  Si0  1  0.750  0.513  0.077  1.0
  Si  Si1  1  0.750  0.978  0.140  1.0
  Si  Si2  1  0.250  0.638  0.636  1.0
  Si  Si3  1  0.250  0.894  0.423  1.0
  Si  Si4  1  0.250  0.467  0.224  1.0
  Si  Si5  1  0.250  0.487  0.923  1.0
  Si  Si6  1  0.750  0.362  0.364  1.0
  Si  Si7  1  0.750  0.533  0.776  1.0
  Si  Si8  1  0.250  0.022  0.860  1.0
  Si  Si9  1  0.750  0.106  0.577  1.0
  Rh  Rh10  1  0.250  0.300  0.500  1.0
  Rh  Rh11  1  0.750  0.700  0.500  1.0
  Rh  Rh12  1  0.750  0.892  0.726  1.0
  Rh  Rh13  1  0.250  0.108  0.274  1.0
  Rh  Rh14  1  0.250  0.286  0.730  1.0
  Rh  Rh15  1  0.250  0.209  0.050  1.0
  Rh  Rh16  1  0.750  0.791  0.950  1.0
  Rh  Rh17  1  0.750  0.714  0.270  1.0
[/CIF]
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The material described by Rh4Si5 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to three equivalent Si(3) and three equivalent Si(4) atoms to form distorted edge-sharing RhSi6 octahedra. In the second Rh site, Rh(2) is bonded in a 6-coordinate geometry to one Si(4), one Si(5), two equivalent Si(2), and two equivalent Si(3) atoms. In the third Rh site, Rh(3) is bonded in a 7-coordinate geometry to one Si(1), one Si(2), one Si(3), two equivalent Si(4), and two equivalent Si(5) atoms. In the fourth Rh site, Rh(4) is bonded to one Si(5), three equivalent Si(1), and three equivalent Si(2) atoms to form distorted edge-sharing RhSi7 pentagonal bipyramids. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one Rh(3) and three equivalent Rh(4) atoms to form a mixture of distorted edge and corner-sharing SiRh4 tetrahedra. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to one Rh(3), two equivalent Rh(2), and three equivalent Rh(4) atoms. In the third Si site, Si(3) is bonded in a 6-coordinate geometry to one Rh(3), two equivalent Rh(2), and three equivalent Rh(1) atoms. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to one Rh(2), two equivalent Rh(3), and three equivalent Rh(1) atoms. In the fifth Si site, Si(5) is bonded in a 4-coordinate geometry to one Rh(2), one Rh(4), and two equivalent Rh(3) atoms. is represented by the CIF card [CIF]
data_Si5Rh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.530
_cell_length_b   5.942
_cell_length_c   12.343
_cell_angle_alpha   100.124
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.845
_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
  Si  Si0  1  0.750  0.513  0.077  1.0
  Si  Si1  1  0.750  0.978  0.140  1.0
  Si  Si2  1  0.250  0.638  0.636  1.0
  Si  Si3  1  0.250  0.894  0.423  1.0
  Si  Si4  1  0.250  0.467  0.224  1.0
  Si  Si5  1  0.250  0.487  0.923  1.0
  Si  Si6  1  0.750  0.362  0.364  1.0
  Si  Si7  1  0.750  0.533  0.776  1.0
  Si  Si8  1  0.250  0.022  0.860  1.0
  Si  Si9  1  0.750  0.106  0.577  1.0
  Rh  Rh10  1  0.250  0.300  0.500  1.0
  Rh  Rh11  1  0.750  0.700  0.500  1.0
  Rh  Rh12  1  0.750  0.892  0.726  1.0
  Rh  Rh13  1  0.250  0.108  0.274  1.0
  Rh  Rh14  1  0.250  0.286  0.730  1.0
  Rh  Rh15  1  0.250  0.209  0.050  1.0
  Rh  Rh16  1  0.750  0.791  0.950  1.0
  Rh  Rh17  1  0.750  0.714  0.270  1.0
[/CIF]
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