The compound described by Zr4(Ir4B5)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one B(5), one B(7), two equivalent B(4), two equivalent B(6), and three equivalent B(8) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one B(4), one B(6), two equivalent B(5), two equivalent B(7), and three equivalent B(9) atoms. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 5-coordinate geometry to one B(2), one B(4), one B(6), and two equivalent B(7) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(5), one B(7), and two equivalent B(6) atoms. In the third Ir site, Ir(3) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(6), and three equivalent B(8) atoms. In the fourth Ir site, Ir(4) is bonded in a 5-coordinate geometry to one B(2), one B(7), and three equivalent B(9) atoms. In the fifth Ir site, Ir(5) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(8), and two equivalent B(5) atoms. In the sixth Ir site, Ir(6) is bonded in a 5-coordinate geometry to one B(2), one B(5), one B(9), and two equivalent B(4) atoms. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a body-centered cubic geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(4), and two equivalent Ir(6) atoms. In the third B site, B(3) is bonded in a body-centered cubic geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), and two equivalent B(1) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), one Ir(1), one Ir(5), two equivalent Ir(6), and two equivalent B(5) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(2), one Ir(2), one Ir(6), two equivalent Ir(5), and two equivalent B(4) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), one Ir(1), one Ir(3), two equivalent Ir(2), and two equivalent B(7) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(2), one Ir(2), one Ir(4), two equivalent Ir(1), and two equivalent B(6) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to three equivalent Zr(1), one Ir(5), three equivalent Ir(3), and two equivalent B(8) atoms. In the ninth B site, B(9) is bonded in a 8-coordinate geometry to three equivalent Zr(2), one Ir(6), three equivalent Ir(4), and one B(9) atom. is represented by the CIF file [CIF]
data_Zr4(B5Ir4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.538
_cell_length_b   7.548
_cell_length_c   13.088
_cell_angle_alpha   90.060
_cell_angle_beta   90.029
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   349.570
_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
  Zr  Zr0  1  0.251  0.500  0.831  1.0
  Zr  Zr1  1  0.253  0.001  0.336  1.0
  Zr  Zr2  1  0.747  0.999  0.664  1.0
  Zr  Zr3  1  0.749  0.500  0.169  1.0
  B  B4  1  0.500  0.000  0.000  1.0
  B  B5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.000  0.000  0.000  1.0
  B  B7  1  0.763  0.326  0.722  1.0
  B  B8  1  0.757  0.826  0.225  1.0
  B  B9  1  0.755  0.751  0.799  1.0
  B  B10  1  0.765  0.252  0.304  1.0
  B  B11  1  0.750  0.424  0.975  1.0
  B  B12  1  0.774  0.921  0.476  1.0
  B  B13  1  0.243  0.174  0.775  1.0
  B  B14  1  0.237  0.674  0.278  1.0
  B  B15  1  0.235  0.748  0.696  1.0
  B  B16  1  0.245  0.249  0.201  1.0
  B  B17  1  0.226  0.079  0.524  1.0
  B  B18  1  0.250  0.576  0.025  1.0
  Ir  Ir19  1  0.737  0.590  0.663  1.0
  Ir  Ir20  1  0.748  0.090  0.165  1.0
  Ir  Ir21  1  0.751  0.708  0.962  1.0
  Ir  Ir22  1  0.730  0.210  0.465  1.0
  Ir  Ir23  1  0.747  0.201  0.873  1.0
  Ir  Ir24  1  0.739  0.701  0.372  1.0
  Ir  Ir25  1  0.252  0.910  0.835  1.0
  Ir  Ir26  1  0.263  0.410  0.337  1.0
  Ir  Ir27  1  0.270  0.790  0.535  1.0
  Ir  Ir28  1  0.249  0.292  0.038  1.0
  Ir  Ir29  1  0.261  0.299  0.628  1.0
  Ir  Ir30  1  0.253  0.799  0.127  1.0
[/CIF]
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The compound described by Zr4(Ir4B5)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one B(5), one B(7), two equivalent B(4), two equivalent B(6), and three equivalent B(8) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to one B(4), one B(6), two equivalent B(5), two equivalent B(7), and three equivalent B(9) atoms. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 5-coordinate geometry to one B(2), one B(4), one B(6), and two equivalent B(7) atoms. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(5), one B(7), and two equivalent B(6) atoms. In the third Ir site, Ir(3) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(6), and three equivalent B(8) atoms. In the fourth Ir site, Ir(4) is bonded in a 5-coordinate geometry to one B(2), one B(7), and three equivalent B(9) atoms. In the fifth Ir site, Ir(5) is bonded in a 6-coordinate geometry to one B(1), one B(3), one B(4), one B(8), and two equivalent B(5) atoms. In the sixth Ir site, Ir(6) is bonded in a 5-coordinate geometry to one B(2), one B(5), one B(9), and two equivalent B(4) atoms. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a body-centered cubic geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(4), and two equivalent Ir(6) atoms. In the third B site, B(3) is bonded in a body-centered cubic geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), and two equivalent B(1) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), one Ir(1), one Ir(5), two equivalent Ir(6), and two equivalent B(5) atoms. In the fifth B site, B(5) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(2), one Ir(2), one Ir(6), two equivalent Ir(5), and two equivalent B(4) atoms. In the sixth B site, B(6) is bonded in a 9-coordinate geometry to one Zr(2), two equivalent Zr(1), one Ir(1), one Ir(3), two equivalent Ir(2), and two equivalent B(7) atoms. In the seventh B site, B(7) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(2), one Ir(2), one Ir(4), two equivalent Ir(1), and two equivalent B(6) atoms. In the eighth B site, B(8) is bonded in a 9-coordinate geometry to three equivalent Zr(1), one Ir(5), three equivalent Ir(3), and two equivalent B(8) atoms. In the ninth B site, B(9) is bonded in a 8-coordinate geometry to three equivalent Zr(2), one Ir(6), three equivalent Ir(4), and one B(9) atom. is represented by the CIF file [CIF]
data_Zr4(B5Ir4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.538
_cell_length_b   7.548
_cell_length_c   13.088
_cell_angle_alpha   90.060
_cell_angle_beta   90.029
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   349.570
_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
  Zr  Zr0  1  0.251  0.500  0.831  1.0
  Zr  Zr1  1  0.253  0.001  0.336  1.0
  Zr  Zr2  1  0.747  0.999  0.664  1.0
  Zr  Zr3  1  0.749  0.500  0.169  1.0
  B  B4  1  0.500  0.000  0.000  1.0
  B  B5  1  0.500  0.500  0.500  1.0
  B  B6  1  0.000  0.000  0.000  1.0
  B  B7  1  0.763  0.326  0.722  1.0
  B  B8  1  0.757  0.826  0.225  1.0
  B  B9  1  0.755  0.751  0.799  1.0
  B  B10  1  0.765  0.252  0.304  1.0
  B  B11  1  0.750  0.424  0.975  1.0
  B  B12  1  0.774  0.921  0.476  1.0
  B  B13  1  0.243  0.174  0.775  1.0
  B  B14  1  0.237  0.674  0.278  1.0
  B  B15  1  0.235  0.748  0.696  1.0
  B  B16  1  0.245  0.249  0.201  1.0
  B  B17  1  0.226  0.079  0.524  1.0
  B  B18  1  0.250  0.576  0.025  1.0
  Ir  Ir19  1  0.737  0.590  0.663  1.0
  Ir  Ir20  1  0.748  0.090  0.165  1.0
  Ir  Ir21  1  0.751  0.708  0.962  1.0
  Ir  Ir22  1  0.730  0.210  0.465  1.0
  Ir  Ir23  1  0.747  0.201  0.873  1.0
  Ir  Ir24  1  0.739  0.701  0.372  1.0
  Ir  Ir25  1  0.252  0.910  0.835  1.0
  Ir  Ir26  1  0.263  0.410  0.337  1.0
  Ir  Ir27  1  0.270  0.790  0.535  1.0
  Ir  Ir28  1  0.249  0.292  0.038  1.0
  Ir  Ir29  1  0.261  0.299  0.628  1.0
  Ir  Ir30  1  0.253  0.799  0.127  1.0
[/CIF]
.