The crystal structure described by Ti7B8(IrRh2)2 crystallizes in the monoclinic Pm space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and two equivalent B(6) atoms to form face-sharing TiB12 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Rh(3), one B(7), two equivalent B(1), and two equivalent B(6) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(1), two equivalent Rh(4), one B(7), two equivalent B(2), and two equivalent B(4) atoms. In the fourth Ti site, Ti(4) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(1), two equivalent Rh(2), one B(7), two equivalent B(3), and two equivalent B(5) atoms. In the fifth Ti site, Ti(5) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(2), two equivalent Rh(3), one B(8), two equivalent B(3), and two equivalent B(4) atoms. In the sixth Ti site, Ti(6) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Rh(4), one B(8), two equivalent B(1), and two equivalent B(5) atoms. In the seventh Ti site, Ti(7) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(2), two equivalent Rh(4), one B(8), two equivalent B(2), and two equivalent B(6) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(4), two equivalent Ti(7), one Rh(2), one B(6), and two equivalent B(7) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(5), one Rh(3), one B(4), and two equivalent B(7) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(6), one B(5), and two equivalent B(7) atoms. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to two equivalent Ti(4), two equivalent Ti(5), two equivalent Ti(7), one Ir(1), one B(3), and two equivalent B(8) atoms. In the third Rh site, Rh(3) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(5), two equivalent Ti(6), one Ir(2), one B(1), and two equivalent B(8) atoms. In the fourth Rh site, Rh(4) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(6), two equivalent Ti(7), one B(2), and two equivalent B(8) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(6), one Rh(3), one B(5), and one B(6) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(7), one Rh(4), one B(4), and one B(6) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), one Rh(2), one B(4), and one B(5) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(5), one Ir(2), one B(2), and one B(3) atom. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(6), one Rh(1), one B(1), and one B(3) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(7), one Ir(1), one B(1), and one B(2) atom. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(3), one Ti(4), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Rh(1) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Ti(5), one Ti(6), one Ti(7), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Rh(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti7B8(IrRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.199
_cell_length_b   9.265
_cell_length_c   9.269
_cell_angle_alpha   60.068
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.111
_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
  Ti  Ti0  1  0.000  1.000  0.000  1.0
  Ti  Ti1  1  0.000  0.276  0.085  1.0
  Ti  Ti2  1  0.000  0.640  0.275  1.0
  Ti  Ti3  1  0.000  0.085  0.639  1.0
  Ti  Ti4  1  0.000  0.725  0.914  1.0
  Ti  Ti5  1  0.000  0.361  0.725  1.0
  Ti  Ti6  1  0.000  0.913  0.362  1.0
  B  B7  1  0.500  0.217  0.936  1.0
  B  B8  1  0.500  0.847  0.217  1.0
  B  B9  1  0.500  0.936  0.847  1.0
  B  B10  1  0.500  0.782  0.064  1.0
  B  B11  1  0.500  0.153  0.783  1.0
  B  B12  1  0.500  0.064  0.154  1.0
  B  B13  1  0.000  0.333  0.333  1.0
  B  B14  1  0.000  0.667  0.667  1.0
  Ir  Ir15  1  0.500  0.155  0.353  1.0
  Ir  Ir16  1  0.500  0.493  0.155  1.0
  Rh  Rh17  1  0.500  0.353  0.492  1.0
  Rh  Rh18  1  0.500  0.845  0.646  1.0
  Rh  Rh19  1  0.500  0.509  0.844  1.0
  Rh  Rh20  1  0.500  0.646  0.509  1.0
[/CIF]
.
The crystal structure described by Ti7B8(IrRh2)2 crystallizes in the monoclinic Pm space group. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent B(1), two equivalent B(2), two equivalent B(3), two equivalent B(4), two equivalent B(5), and two equivalent B(6) atoms to form face-sharing TiB12 cuboctahedra. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Rh(3), one B(7), two equivalent B(1), and two equivalent B(6) atoms. In the third Ti site, Ti(3) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(1), two equivalent Rh(4), one B(7), two equivalent B(2), and two equivalent B(4) atoms. In the fourth Ti site, Ti(4) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(1), two equivalent Rh(2), one B(7), two equivalent B(3), and two equivalent B(5) atoms. In the fifth Ti site, Ti(5) is bonded in a 11-coordinate geometry to two equivalent Ir(2), two equivalent Rh(2), two equivalent Rh(3), one B(8), two equivalent B(3), and two equivalent B(4) atoms. In the sixth Ti site, Ti(6) is bonded in a 11-coordinate geometry to two equivalent Rh(1), two equivalent Rh(3), two equivalent Rh(4), one B(8), two equivalent B(1), and two equivalent B(5) atoms. In the seventh Ti site, Ti(7) is bonded in a 11-coordinate geometry to two equivalent Ir(1), two equivalent Rh(2), two equivalent Rh(4), one B(8), two equivalent B(2), and two equivalent B(6) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(4), two equivalent Ti(7), one Rh(2), one B(6), and two equivalent B(7) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(3), two equivalent Ti(5), one Rh(3), one B(4), and two equivalent B(7) atoms. There are four inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(4), two equivalent Ti(6), one B(5), and two equivalent B(7) atoms. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to two equivalent Ti(4), two equivalent Ti(5), two equivalent Ti(7), one Ir(1), one B(3), and two equivalent B(8) atoms. In the third Rh site, Rh(3) is bonded in a 10-coordinate geometry to two equivalent Ti(2), two equivalent Ti(5), two equivalent Ti(6), one Ir(2), one B(1), and two equivalent B(8) atoms. In the fourth Rh site, Rh(4) is bonded in a 9-coordinate geometry to two equivalent Ti(3), two equivalent Ti(6), two equivalent Ti(7), one B(2), and two equivalent B(8) atoms. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(6), one Rh(3), one B(5), and one B(6) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(7), one Rh(4), one B(4), and one B(6) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), one Rh(2), one B(4), and one B(5) atom. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(3), two equivalent Ti(5), one Ir(2), one B(2), and one B(3) atom. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(6), one Rh(1), one B(1), and one B(3) atom. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(7), one Ir(1), one B(1), and one B(2) atom. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Ti(2), one Ti(3), one Ti(4), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Rh(1) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to one Ti(5), one Ti(6), one Ti(7), two equivalent Rh(2), two equivalent Rh(3), and two equivalent Rh(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti7B8(IrRh2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.199
_cell_length_b   9.265
_cell_length_c   9.269
_cell_angle_alpha   60.068
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.111
_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
  Ti  Ti0  1  0.000  1.000  0.000  1.0
  Ti  Ti1  1  0.000  0.276  0.085  1.0
  Ti  Ti2  1  0.000  0.640  0.275  1.0
  Ti  Ti3  1  0.000  0.085  0.639  1.0
  Ti  Ti4  1  0.000  0.725  0.914  1.0
  Ti  Ti5  1  0.000  0.361  0.725  1.0
  Ti  Ti6  1  0.000  0.913  0.362  1.0
  B  B7  1  0.500  0.217  0.936  1.0
  B  B8  1  0.500  0.847  0.217  1.0
  B  B9  1  0.500  0.936  0.847  1.0
  B  B10  1  0.500  0.782  0.064  1.0
  B  B11  1  0.500  0.153  0.783  1.0
  B  B12  1  0.500  0.064  0.154  1.0
  B  B13  1  0.000  0.333  0.333  1.0
  B  B14  1  0.000  0.667  0.667  1.0
  Ir  Ir15  1  0.500  0.155  0.353  1.0
  Ir  Ir16  1  0.500  0.493  0.155  1.0
  Rh  Rh17  1  0.500  0.353  0.492  1.0
  Rh  Rh18  1  0.500  0.845  0.646  1.0
  Rh  Rh19  1  0.500  0.509  0.844  1.0
  Rh  Rh20  1  0.500  0.646  0.509  1.0
[/CIF]
.