The material described by Rh12As7 crystallizes in the trigonal P3 space group. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to one As(1), one As(2), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing RhAs4 tetrahedra. In the second Rh site, Rh(2) is bonded to one As(1), one As(3), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing RhAs4 tetrahedra. In the third Rh site, Rh(3) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(3) atoms. In the fourth Rh site, Rh(4) is bonded in a 5-coordinate geometry to one As(3) and four equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Rh(1), one Rh(3), two equivalent Rh(2), and four equivalent Rh(4) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Rh(2), one Rh(4), two equivalent Rh(1), and four equivalent Rh(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_As7Rh12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.727
_cell_length_b   9.407
_cell_length_c   9.407
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.628
_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
  As  As0  1  0.588  0.000  0.000  1.0
  As  As1  1  0.750  0.287  0.842  1.0
  As  As2  1  0.750  0.158  0.445  1.0
  As  As3  1  0.750  0.555  0.713  1.0
  As  As4  1  0.253  0.715  0.161  1.0
  As  As5  1  0.253  0.839  0.554  1.0
  As  As6  1  0.253  0.446  0.285  1.0
  Rh  Rh7  1  0.755  0.990  0.749  1.0
  Rh  Rh8  1  0.755  0.251  0.242  1.0
  Rh  Rh9  1  0.755  0.758  0.010  1.0
  Rh  Rh10  1  0.255  0.008  0.236  1.0
  Rh  Rh11  1  0.255  0.764  0.772  1.0
  Rh  Rh12  1  0.255  0.228  0.992  1.0
  Rh  Rh13  1  0.754  0.515  0.134  1.0
  Rh  Rh14  1  0.754  0.866  0.381  1.0
  Rh  Rh15  1  0.754  0.619  0.485  1.0
  Rh  Rh16  1  0.248  0.483  0.863  1.0
  Rh  Rh17  1  0.248  0.137  0.621  1.0
  Rh  Rh18  1  0.248  0.379  0.517  1.0
[/CIF]
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The material described by Rh12As7 crystallizes in the trigonal P3 space group. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to one As(1), one As(2), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing RhAs4 tetrahedra. In the second Rh site, Rh(2) is bonded to one As(1), one As(3), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing RhAs4 tetrahedra. In the third Rh site, Rh(3) is bonded in a 5-coordinate geometry to one As(2) and four equivalent As(3) atoms. In the fourth Rh site, Rh(4) is bonded in a 5-coordinate geometry to one As(3) and four equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Rh(1), one Rh(3), two equivalent Rh(2), and four equivalent Rh(4) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Rh(2), one Rh(4), two equivalent Rh(1), and four equivalent Rh(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_As7Rh12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.727
_cell_length_b   9.407
_cell_length_c   9.407
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   285.628
_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
  As  As0  1  0.588  0.000  0.000  1.0
  As  As1  1  0.750  0.287  0.842  1.0
  As  As2  1  0.750  0.158  0.445  1.0
  As  As3  1  0.750  0.555  0.713  1.0
  As  As4  1  0.253  0.715  0.161  1.0
  As  As5  1  0.253  0.839  0.554  1.0
  As  As6  1  0.253  0.446  0.285  1.0
  Rh  Rh7  1  0.755  0.990  0.749  1.0
  Rh  Rh8  1  0.755  0.251  0.242  1.0
  Rh  Rh9  1  0.755  0.758  0.010  1.0
  Rh  Rh10  1  0.255  0.008  0.236  1.0
  Rh  Rh11  1  0.255  0.764  0.772  1.0
  Rh  Rh12  1  0.255  0.228  0.992  1.0
  Rh  Rh13  1  0.754  0.515  0.134  1.0
  Rh  Rh14  1  0.754  0.866  0.381  1.0
  Rh  Rh15  1  0.754  0.619  0.485  1.0
  Rh  Rh16  1  0.248  0.483  0.863  1.0
  Rh  Rh17  1  0.248  0.137  0.621  1.0
  Rh  Rh18  1  0.248  0.379  0.517  1.0
[/CIF]
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