The material structure described by Ba8CuSi16 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Si(4), one Si(5), one Si(8), two equivalent Si(10), two equivalent Si(11), and two equivalent Si(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Si(3), one Si(6), one Si(7), two equivalent Si(1), two equivalent Si(12), and two equivalent Si(9) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to two equivalent Cu(1), one Si(2), one Si(6), one Si(7), two equivalent Si(12), two equivalent Si(4), and two equivalent Si(9) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Si(1), one Si(5), one Si(8), two equivalent Si(10), two equivalent Si(11), and two equivalent Si(3) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one Cu(1), one Si(1), one Si(5), two equivalent Si(11), two equivalent Si(12), two equivalent Si(7), and two equivalent Si(9) atoms. In the sixth Ba site, Ba(6) is bonded in a 11-coordinate geometry to one Si(2), one Si(3), one Si(6), two equivalent Si(10), two equivalent Si(11), two equivalent Si(12), and two equivalent Si(8) atoms. In the seventh Ba site, Ba(7) is bonded in a 11-coordinate geometry to one Si(2), one Si(3), one Si(7), two equivalent Si(10), two equivalent Si(11), two equivalent Si(5), and two equivalent Si(9) atoms. In the eighth Ba site, Ba(8) is bonded in a 11-coordinate geometry to one Cu(1), one Si(1), one Si(8), two equivalent Si(10), two equivalent Si(12), two equivalent Si(6), and two equivalent Si(9) atoms. Cu(1) is bonded to one Ba(5), one Ba(8), two equivalent Ba(3), one Si(4), and two equivalent Si(9) atoms to form distorted corner-sharing CuBa4Si3 pentagonal bipyramids. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Ba(4), one Ba(5), one Ba(8), two equivalent Ba(2), one Si(5), and two equivalent Si(9) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Ba(3), one Ba(6), one Ba(7), two equivalent Ba(1), one Si(6), and two equivalent Si(10) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(6), one Ba(7), two equivalent Ba(4), one Si(7), and two equivalent Si(11) atoms. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to one Ba(1), two equivalent Ba(3), one Cu(1), one Si(8), and two equivalent Si(12) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(5), two equivalent Ba(7), one Si(1), and two equivalent Si(9) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), one Ba(6), two equivalent Ba(8), one Si(2), and two equivalent Si(10) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), one Ba(7), two equivalent Ba(5), one Si(3), and two equivalent Si(11) atoms. In the eighth Si site, Si(8) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(8), two equivalent Ba(6), one Si(4), and two equivalent Si(12) atoms. In the ninth Si site, Si(9) is bonded in a 9-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), one Ba(8), one Cu(1), one Si(1), one Si(5), and one Si(9) atom. In the tenth Si site, Si(10) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(6), one Ba(7), one Ba(8), one Si(10), one Si(2), and one Si(6) atom. In the eleventh Si site, Si(11) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(5), one Ba(6), one Ba(7), one Si(11), one Si(3), and one Si(7) atom. In the twelfth Si site, Si(12) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), one Ba(8), one Si(12), one Si(4), and one Si(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8CuSi16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   9.158
_cell_length_c   11.584
_cell_angle_alpha   89.519
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   718.051
_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
  Ba  Ba0  1  0.500  0.017  0.696  1.0
  Ba  Ba1  1  0.000  0.487  0.194  1.0
  Ba  Ba2  1  0.000  0.991  0.303  1.0
  Ba  Ba3  1  0.500  0.513  0.808  1.0
  Ba  Ba4  1  0.500  0.831  0.086  1.0
  Ba  Ba5  1  0.000  0.658  0.593  1.0
  Ba  Ba6  1  0.000  0.158  0.906  1.0
  Ba  Ba7  1  0.500  0.362  0.416  1.0
  Cu  Cu8  1  0.500  0.077  0.273  1.0
  Si  Si9  1  0.500  0.414  0.094  1.0
  Si  Si10  1  0.000  0.085  0.593  1.0
  Si  Si11  1  0.000  0.585  0.908  1.0
  Si  Si12  1  0.500  0.906  0.413  1.0
  Si  Si13  1  0.500  0.199  0.967  1.0
  Si  Si14  1  0.000  0.299  0.467  1.0
  Si  Si15  1  0.000  0.798  0.033  1.0
  Si  Si16  1  0.500  0.697  0.536  1.0
  Si  Si17  1  0.303  0.202  0.140  1.0
  Si  Si18  1  0.178  0.305  0.647  1.0
  Si  Si19  1  0.823  0.805  0.853  1.0
  Si  Si20  1  0.680  0.691  0.356  1.0
  Si  Si21  1  0.177  0.805  0.853  1.0
  Si  Si22  1  0.320  0.691  0.356  1.0
  Si  Si23  1  0.697  0.202  0.140  1.0
  Si  Si24  1  0.822  0.305  0.647  1.0
[/CIF]
.
The material structure described by Ba8CuSi16 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Si(4), one Si(5), one Si(8), two equivalent Si(10), two equivalent Si(11), and two equivalent Si(2) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Si(3), one Si(6), one Si(7), two equivalent Si(1), two equivalent Si(12), and two equivalent Si(9) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to two equivalent Cu(1), one Si(2), one Si(6), one Si(7), two equivalent Si(12), two equivalent Si(4), and two equivalent Si(9) atoms. In the fourth Ba site, Ba(4) is bonded in a 9-coordinate geometry to one Si(1), one Si(5), one Si(8), two equivalent Si(10), two equivalent Si(11), and two equivalent Si(3) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one Cu(1), one Si(1), one Si(5), two equivalent Si(11), two equivalent Si(12), two equivalent Si(7), and two equivalent Si(9) atoms. In the sixth Ba site, Ba(6) is bonded in a 11-coordinate geometry to one Si(2), one Si(3), one Si(6), two equivalent Si(10), two equivalent Si(11), two equivalent Si(12), and two equivalent Si(8) atoms. In the seventh Ba site, Ba(7) is bonded in a 11-coordinate geometry to one Si(2), one Si(3), one Si(7), two equivalent Si(10), two equivalent Si(11), two equivalent Si(5), and two equivalent Si(9) atoms. In the eighth Ba site, Ba(8) is bonded in a 11-coordinate geometry to one Cu(1), one Si(1), one Si(8), two equivalent Si(10), two equivalent Si(12), two equivalent Si(6), and two equivalent Si(9) atoms. Cu(1) is bonded to one Ba(5), one Ba(8), two equivalent Ba(3), one Si(4), and two equivalent Si(9) atoms to form distorted corner-sharing CuBa4Si3 pentagonal bipyramids. There are twelve inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Ba(4), one Ba(5), one Ba(8), two equivalent Ba(2), one Si(5), and two equivalent Si(9) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to one Ba(3), one Ba(6), one Ba(7), two equivalent Ba(1), one Si(6), and two equivalent Si(10) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(6), one Ba(7), two equivalent Ba(4), one Si(7), and two equivalent Si(11) atoms. In the fourth Si site, Si(4) is bonded in a 7-coordinate geometry to one Ba(1), two equivalent Ba(3), one Cu(1), one Si(8), and two equivalent Si(12) atoms. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(5), two equivalent Ba(7), one Si(1), and two equivalent Si(9) atoms. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), one Ba(6), two equivalent Ba(8), one Si(2), and two equivalent Si(10) atoms. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), one Ba(7), two equivalent Ba(5), one Si(3), and two equivalent Si(11) atoms. In the eighth Si site, Si(8) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(8), two equivalent Ba(6), one Si(4), and two equivalent Si(12) atoms. In the ninth Si site, Si(9) is bonded in a 9-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), one Ba(8), one Cu(1), one Si(1), one Si(5), and one Si(9) atom. In the tenth Si site, Si(10) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(6), one Ba(7), one Ba(8), one Si(10), one Si(2), and one Si(6) atom. In the eleventh Si site, Si(11) is bonded in a 8-coordinate geometry to one Ba(1), one Ba(4), one Ba(5), one Ba(6), one Ba(7), one Si(11), one Si(3), and one Si(7) atom. In the twelfth Si site, Si(12) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), one Ba(8), one Si(12), one Si(4), and one Si(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba8CuSi16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   9.158
_cell_length_c   11.584
_cell_angle_alpha   89.519
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   718.051
_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
  Ba  Ba0  1  0.500  0.017  0.696  1.0
  Ba  Ba1  1  0.000  0.487  0.194  1.0
  Ba  Ba2  1  0.000  0.991  0.303  1.0
  Ba  Ba3  1  0.500  0.513  0.808  1.0
  Ba  Ba4  1  0.500  0.831  0.086  1.0
  Ba  Ba5  1  0.000  0.658  0.593  1.0
  Ba  Ba6  1  0.000  0.158  0.906  1.0
  Ba  Ba7  1  0.500  0.362  0.416  1.0
  Cu  Cu8  1  0.500  0.077  0.273  1.0
  Si  Si9  1  0.500  0.414  0.094  1.0
  Si  Si10  1  0.000  0.085  0.593  1.0
  Si  Si11  1  0.000  0.585  0.908  1.0
  Si  Si12  1  0.500  0.906  0.413  1.0
  Si  Si13  1  0.500  0.199  0.967  1.0
  Si  Si14  1  0.000  0.299  0.467  1.0
  Si  Si15  1  0.000  0.798  0.033  1.0
  Si  Si16  1  0.500  0.697  0.536  1.0
  Si  Si17  1  0.303  0.202  0.140  1.0
  Si  Si18  1  0.178  0.305  0.647  1.0
  Si  Si19  1  0.823  0.805  0.853  1.0
  Si  Si20  1  0.680  0.691  0.356  1.0
  Si  Si21  1  0.177  0.805  0.853  1.0
  Si  Si22  1  0.320  0.691  0.356  1.0
  Si  Si23  1  0.697  0.202  0.140  1.0
  Si  Si24  1  0.822  0.305  0.647  1.0
[/CIF]
.