The compound described by Ca4Ir8As7 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 1-coordinate geometry to one Ir(1), one Ir(8), two equivalent Ir(4), one As(2), two equivalent As(1), two equivalent As(5), and two equivalent As(6) atoms. In the second Ca site, Ca(2) is bonded in a 1-coordinate geometry to one Ir(8), two equivalent Ir(2), three equivalent Ir(3), one As(1), two equivalent As(4), two equivalent As(5), and two equivalent As(7) atoms. In the third Ca site, Ca(3) is bonded in a 15-coordinate geometry to one Ir(3), one Ir(7), two equivalent Ir(2), two equivalent Ir(8), three equivalent Ir(5), two equivalent As(2), two equivalent As(3), and two equivalent As(7) atoms. In the fourth Ca site, Ca(4) is bonded in a 15-coordinate geometry to one Ir(4), one Ir(5), two equivalent Ir(2), two equivalent Ir(7), three equivalent Ir(1), two equivalent As(3), two equivalent As(4), and two equivalent As(6) atoms. There are eight inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Ca(1), three equivalent Ca(4), two equivalent Ir(1), two equivalent Ir(4), one As(4), and three equivalent As(6) atoms to form distorted face-sharing IrCa4As4Ir4 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), one As(3), one As(4), and one As(7) atom. In the third Ir site, Ir(3) is bonded to one Ca(3), three equivalent Ca(2), two equivalent Ir(3), two equivalent Ir(8), one As(5), and three equivalent As(7) atoms to form distorted face-sharing IrCa4As4Ir4 cuboctahedra. In the fourth Ir site, Ir(4) is bonded in a 7-coordinate geometry to one Ca(4), two equivalent Ca(1), two equivalent Ir(1), one As(1), one As(6), and two equivalent As(4) atoms. In the fifth Ir site, Ir(5) is bonded in a 12-coordinate geometry to one Ca(4), three equivalent Ca(3), two equivalent Ir(5), two equivalent Ir(7), one As(2), and three equivalent As(3) atoms. In the sixth Ir site, Ir(6) is bonded in a 4-coordinate geometry to one As(5) and three equivalent As(1) atoms. In the seventh Ir site, Ir(7) is bonded in a 7-coordinate geometry to one Ca(3), two equivalent Ca(4), two equivalent Ir(5), one As(3), one As(6), and two equivalent As(2) atoms. In the eighth Ir site, Ir(8) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(3), two equivalent Ir(3), one As(2), one As(7), and two equivalent As(5) atoms. There are seven inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Ca(2), two equivalent Ca(1), one Ir(4), and three equivalent Ir(6) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Ca(1), two equivalent Ca(3), one Ir(5), one Ir(8), and two equivalent Ir(7) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Ca(3), two equivalent Ca(4), one Ir(2), one Ir(7), and three equivalent Ir(5) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to two equivalent Ca(2), two equivalent Ca(4), one Ir(1), one Ir(2), and two equivalent Ir(4) atoms. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ir(3), one Ir(6), and two equivalent Ir(8) atoms. In the sixth As site, As(6) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(4), one Ir(4), one Ir(7), and three equivalent Ir(1) atoms. In the seventh As site, As(7) is bonded in a 9-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), one Ir(2), one Ir(8), and three equivalent Ir(3) atoms. is represented by the CIF file [CIF]
data_Ca4As7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.086
_cell_length_b   12.978
_cell_length_c   13.541
_cell_angle_alpha   81.761
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.698
_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
  Ca  Ca0  1  0.250  0.101  0.798  1.0
  Ca  Ca1  1  0.750  0.899  0.202  1.0
  Ca  Ca2  1  0.250  0.289  0.105  1.0
  Ca  Ca3  1  0.750  0.711  0.895  1.0
  Ca  Ca4  1  0.250  0.514  0.290  1.0
  Ca  Ca5  1  0.750  0.486  0.710  1.0
  Ca  Ca6  1  0.250  0.214  0.433  1.0
  Ca  Ca7  1  0.750  0.786  0.567  1.0
  As  As8  1  0.250  0.060  0.101  1.0
  As  As9  1  0.750  0.940  0.899  1.0
  As  As10  1  0.250  0.309  0.689  1.0
  As  As11  1  0.750  0.691  0.311  1.0
  As  As12  1  0.250  0.609  0.566  1.0
  As  As13  1  0.750  0.391  0.434  1.0
  As  As14  1  0.250  0.848  0.720  1.0
  As  As15  1  0.750  0.152  0.280  1.0
  As  As16  1  0.750  0.256  0.920  1.0
  As  As17  1  0.250  0.744  0.080  1.0
  As  As18  1  0.750  0.096  0.585  1.0
  As  As19  1  0.250  0.904  0.415  1.0
  As  As20  1  0.750  0.469  0.128  1.0
  As  As21  1  0.250  0.531  0.872  1.0
  Ir  Ir22  1  0.250  0.986  0.573  1.0
  Ir  Ir23  1  0.750  0.014  0.427  1.0
  Ir  Ir24  1  0.250  0.665  0.729  1.0
  Ir  Ir25  1  0.750  0.335  0.271  1.0
  Ir  Ir26  1  0.250  0.555  0.048  1.0
  Ir  Ir27  1  0.750  0.445  0.952  1.0
  Ir  Ir28  1  0.250  0.054  0.280  1.0
  Ir  Ir29  1  0.750  0.946  0.720  1.0
  Ir  Ir30  1  0.250  0.425  0.528  1.0
  Ir  Ir31  1  0.750  0.575  0.472  1.0
  Ir  Ir32  1  0.250  0.921  0.998  1.0
  Ir  Ir33  1  0.750  0.079  0.002  1.0
  Ir  Ir34  1  0.250  0.721  0.401  1.0
  Ir  Ir35  1  0.750  0.279  0.599  1.0
  Ir  Ir36  1  0.250  0.342  0.860  1.0
  Ir  Ir37  1  0.750  0.658  0.140  1.0
[/CIF]
.
The compound described by Ca4Ir8As7 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 1-coordinate geometry to one Ir(1), one Ir(8), two equivalent Ir(4), one As(2), two equivalent As(1), two equivalent As(5), and two equivalent As(6) atoms. In the second Ca site, Ca(2) is bonded in a 1-coordinate geometry to one Ir(8), two equivalent Ir(2), three equivalent Ir(3), one As(1), two equivalent As(4), two equivalent As(5), and two equivalent As(7) atoms. In the third Ca site, Ca(3) is bonded in a 15-coordinate geometry to one Ir(3), one Ir(7), two equivalent Ir(2), two equivalent Ir(8), three equivalent Ir(5), two equivalent As(2), two equivalent As(3), and two equivalent As(7) atoms. In the fourth Ca site, Ca(4) is bonded in a 15-coordinate geometry to one Ir(4), one Ir(5), two equivalent Ir(2), two equivalent Ir(7), three equivalent Ir(1), two equivalent As(3), two equivalent As(4), and two equivalent As(6) atoms. There are eight inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Ca(1), three equivalent Ca(4), two equivalent Ir(1), two equivalent Ir(4), one As(4), and three equivalent As(6) atoms to form distorted face-sharing IrCa4As4Ir4 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), two equivalent Ca(4), one As(3), one As(4), and one As(7) atom. In the third Ir site, Ir(3) is bonded to one Ca(3), three equivalent Ca(2), two equivalent Ir(3), two equivalent Ir(8), one As(5), and three equivalent As(7) atoms to form distorted face-sharing IrCa4As4Ir4 cuboctahedra. In the fourth Ir site, Ir(4) is bonded in a 7-coordinate geometry to one Ca(4), two equivalent Ca(1), two equivalent Ir(1), one As(1), one As(6), and two equivalent As(4) atoms. In the fifth Ir site, Ir(5) is bonded in a 12-coordinate geometry to one Ca(4), three equivalent Ca(3), two equivalent Ir(5), two equivalent Ir(7), one As(2), and three equivalent As(3) atoms. In the sixth Ir site, Ir(6) is bonded in a 4-coordinate geometry to one As(5) and three equivalent As(1) atoms. In the seventh Ir site, Ir(7) is bonded in a 7-coordinate geometry to one Ca(3), two equivalent Ca(4), two equivalent Ir(5), one As(3), one As(6), and two equivalent As(2) atoms. In the eighth Ir site, Ir(8) is bonded in a 10-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(3), two equivalent Ir(3), one As(2), one As(7), and two equivalent As(5) atoms. There are seven inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Ca(2), two equivalent Ca(1), one Ir(4), and three equivalent Ir(6) atoms. In the second As site, As(2) is bonded in a 7-coordinate geometry to one Ca(1), two equivalent Ca(3), one Ir(5), one Ir(8), and two equivalent Ir(7) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to two equivalent Ca(3), two equivalent Ca(4), one Ir(2), one Ir(7), and three equivalent Ir(5) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to two equivalent Ca(2), two equivalent Ca(4), one Ir(1), one Ir(2), and two equivalent Ir(4) atoms. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ir(3), one Ir(6), and two equivalent Ir(8) atoms. In the sixth As site, As(6) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(4), one Ir(4), one Ir(7), and three equivalent Ir(1) atoms. In the seventh As site, As(7) is bonded in a 9-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), one Ir(2), one Ir(8), and three equivalent Ir(3) atoms. is represented by the CIF file [CIF]
data_Ca4As7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.086
_cell_length_b   12.978
_cell_length_c   13.541
_cell_angle_alpha   81.761
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   710.698
_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
  Ca  Ca0  1  0.250  0.101  0.798  1.0
  Ca  Ca1  1  0.750  0.899  0.202  1.0
  Ca  Ca2  1  0.250  0.289  0.105  1.0
  Ca  Ca3  1  0.750  0.711  0.895  1.0
  Ca  Ca4  1  0.250  0.514  0.290  1.0
  Ca  Ca5  1  0.750  0.486  0.710  1.0
  Ca  Ca6  1  0.250  0.214  0.433  1.0
  Ca  Ca7  1  0.750  0.786  0.567  1.0
  As  As8  1  0.250  0.060  0.101  1.0
  As  As9  1  0.750  0.940  0.899  1.0
  As  As10  1  0.250  0.309  0.689  1.0
  As  As11  1  0.750  0.691  0.311  1.0
  As  As12  1  0.250  0.609  0.566  1.0
  As  As13  1  0.750  0.391  0.434  1.0
  As  As14  1  0.250  0.848  0.720  1.0
  As  As15  1  0.750  0.152  0.280  1.0
  As  As16  1  0.750  0.256  0.920  1.0
  As  As17  1  0.250  0.744  0.080  1.0
  As  As18  1  0.750  0.096  0.585  1.0
  As  As19  1  0.250  0.904  0.415  1.0
  As  As20  1  0.750  0.469  0.128  1.0
  As  As21  1  0.250  0.531  0.872  1.0
  Ir  Ir22  1  0.250  0.986  0.573  1.0
  Ir  Ir23  1  0.750  0.014  0.427  1.0
  Ir  Ir24  1  0.250  0.665  0.729  1.0
  Ir  Ir25  1  0.750  0.335  0.271  1.0
  Ir  Ir26  1  0.250  0.555  0.048  1.0
  Ir  Ir27  1  0.750  0.445  0.952  1.0
  Ir  Ir28  1  0.250  0.054  0.280  1.0
  Ir  Ir29  1  0.750  0.946  0.720  1.0
  Ir  Ir30  1  0.250  0.425  0.528  1.0
  Ir  Ir31  1  0.750  0.575  0.472  1.0
  Ir  Ir32  1  0.250  0.921  0.998  1.0
  Ir  Ir33  1  0.750  0.079  0.002  1.0
  Ir  Ir34  1  0.250  0.721  0.401  1.0
  Ir  Ir35  1  0.750  0.279  0.599  1.0
  Ir  Ir36  1  0.250  0.342  0.860  1.0
  Ir  Ir37  1  0.750  0.658  0.140  1.0
[/CIF]
.