The material described by Lu2B36Si9C crystallizes in the monoclinic Cm space group. Lu(1) is bonded in a 18-coordinate geometry to one B(1), one B(10), one B(12), one B(13), one B(15), one B(16), one B(3), one B(4), one B(6), one B(7), one B(8), one B(9), one Si(1), one Si(2), one Si(3), one Si(4), one Si(5), and one Si(6) atom. There are twenty inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Lu(1), one B(11), one B(15), one B(17), one B(5), one B(7), and one Si(4) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(12), one B(14), one B(17), one B(4), one B(7), and one Si(3) atom. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Lu(1), one B(13), one B(16), one B(18), one B(6), one B(8), and one Si(3) atom. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to one Lu(1), one B(12), one B(14), one B(19), one B(2), one B(9), and one Si(6) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(1), one B(11), one B(15), one B(19), one B(9), and one Si(5) atom. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Lu(1), one B(10), one B(13), one B(16), one B(20), one B(3), and one Si(5) atom. In the seventh B site, B(7) is bonded in a 7-coordinate geometry to one Lu(1), one B(1), one B(14), one B(15), one B(17), one B(2), and one Si(5) atom. In the eighth B site, B(8) is bonded in a 8-coordinate geometry to two equivalent Lu(1), one B(18), two equivalent B(16), two equivalent B(3), and one Si(6) atom. In the ninth B site, B(9) is bonded in a 7-coordinate geometry to one Lu(1), one B(11), one B(12), one B(19), one B(4), one B(5), and one Si(3) atom. In the tenth B site, B(10) is bonded in a 8-coordinate geometry to two equivalent Lu(1), one B(20), two equivalent B(13), two equivalent B(6), and one Si(4) atom. In the eleventh B site, B(11) is bonded in a 6-coordinate geometry to one B(1), one B(11), one B(12), one B(17), one B(5), and one B(9) atom. In the twelfth B site, B(12) is bonded in a 7-coordinate geometry to one Lu(1), one B(11), one B(13), one B(17), one B(2), one B(4), and one B(9) atom. In the thirteenth B site, B(13) is bonded in a 7-coordinate geometry to one Lu(1), one B(10), one B(12), one B(13), one B(18), one B(3), and one B(6) atom. In the fourteenth B site, B(14) is bonded in a 6-coordinate geometry to one B(14), one B(15), one B(19), one B(2), one B(4), and one B(7) atom. In the fifteenth B site, B(15) is bonded in a 7-coordinate geometry to one Lu(1), one B(1), one B(14), one B(16), one B(19), one B(5), and one B(7) atom. In the sixteenth B site, B(16) is bonded in a 7-coordinate geometry to one Lu(1), one B(15), one B(16), one B(20), one B(3), one B(6), and one B(8) atom. In the seventeenth B site, B(17) is bonded in a 6-coordinate geometry to one B(1), one B(11), one B(12), one B(2), one B(7), and one Si(7) atom. In the eighteenth B site, B(18) is bonded in a 6-coordinate geometry to one B(8), two equivalent B(13), two equivalent B(3), and one Si(7) atom. In the nineteenth B site, B(19) is bonded in a distorted single-bond geometry to one B(14), one B(15), one B(4), one B(5), one B(9), and one C(1) atom. In the twentieth B site, B(20) is bonded in a distorted single-bond geometry to one B(10), two equivalent B(16), two equivalent B(6), and one C(1) atom. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent Lu(1), one Si(2), one Si(4), and two equivalent Si(3) atoms to form distorted corner-sharing SiLu2Si4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent Lu(1), one Si(1), one Si(6), and two equivalent Si(5) atoms to form distorted corner-sharing SiLu2Si4 tetrahedra. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Lu(1), one B(2), one B(3), one B(9), and one Si(1) atom. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to two equivalent Lu(1), one B(10), two equivalent B(1), and one Si(1) atom. In the fifth Si site, Si(5) is bonded in a 5-coordinate geometry to one Lu(1), one B(5), one B(6), one B(7), and one Si(2) atom. In the sixth Si site, Si(6) is bonded in a 6-coordinate geometry to two equivalent Lu(1), one B(8), two equivalent B(4), and one Si(2) atom. In the seventh Si site, Si(7) is bonded in a distorted tetrahedral geometry to one B(18), two equivalent B(17), and one C(1) atom. C(1) is bonded in a tetrahedral geometry to one B(20), two equivalent B(19), and one Si(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2Si9B36C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   8.024
_cell_length_c   7.989
_cell_angle_alpha   78.055
_cell_angle_beta   78.055
_cell_angle_gamma   78.047
_symmetry_Int_Tables_number   1
_cell_volume   485.028
_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
  Lu  Lu0  1  0.000  0.501  0.501  1.0
  Lu  Lu1  1  0.501  0.000  0.501  1.0
  Si  Si2  1  0.428  0.428  0.427  1.0
  Si  Si3  1  0.570  0.570  0.572  1.0
  Si  Si4  1  0.266  0.656  0.255  1.0
  Si  Si5  1  0.263  0.263  0.661  1.0
  Si  Si6  1  0.656  0.266  0.255  1.0
  Si  Si7  1  0.734  0.346  0.745  1.0
  Si  Si8  1  0.737  0.737  0.340  1.0
  Si  Si9  1  0.346  0.734  0.745  1.0
  Si  Si10  1  0.045  0.045  0.043  1.0
  B  B11  1  0.421  0.107  0.823  1.0
  B  B12  1  0.820  0.420  0.107  1.0
  B  B13  1  0.109  0.819  0.419  1.0
  B  B14  1  0.819  0.109  0.419  1.0
  B  B15  1  0.420  0.820  0.107  1.0
  B  B16  1  0.107  0.421  0.823  1.0
  B  B17  1  0.587  0.892  0.172  1.0
  B  B18  1  0.175  0.588  0.892  1.0
  B  B19  1  0.890  0.177  0.589  1.0
  B  B20  1  0.177  0.890  0.589  1.0
  B  B21  1  0.588  0.175  0.892  1.0
  B  B22  1  0.892  0.587  0.172  1.0
  B  B23  1  0.446  0.874  0.874  1.0
  B  B24  1  0.874  0.446  0.874  1.0
  B  B25  1  0.874  0.874  0.445  1.0
  B  B26  1  0.563  0.122  0.122  1.0
  B  B27  1  0.122  0.563  0.122  1.0
  B  B28  1  0.122  0.122  0.564  1.0
  B  B29  1  0.374  0.201  0.019  1.0
  B  B30  1  0.019  0.375  0.197  1.0
  B  B31  1  0.198  0.018  0.374  1.0
  B  B32  1  0.018  0.198  0.374  1.0
  B  B33  1  0.375  0.019  0.197  1.0
  B  B34  1  0.201  0.374  0.019  1.0
  B  B35  1  0.628  0.796  0.978  1.0
  B  B36  1  0.978  0.628  0.799  1.0
  B  B37  1  0.798  0.979  0.628  1.0
  B  B38  1  0.979  0.798  0.628  1.0
  B  B39  1  0.628  0.978  0.799  1.0
  B  B40  1  0.796  0.628  0.978  1.0
  B  B41  1  0.296  0.006  0.006  1.0
  B  B42  1  0.006  0.296  0.006  1.0
  B  B43  1  0.006  0.006  0.295  1.0
  B  B44  1  0.723  0.982  0.982  1.0
  B  B45  1  0.982  0.723  0.982  1.0
  B  B46  1  0.982  0.982  0.725  1.0
  C  C47  1  0.932  0.932  0.934  1.0
[/CIF]
.
The material described by Lu2B36Si9C crystallizes in the monoclinic Cm space group. Lu(1) is bonded in a 18-coordinate geometry to one B(1), one B(10), one B(12), one B(13), one B(15), one B(16), one B(3), one B(4), one B(6), one B(7), one B(8), one B(9), one Si(1), one Si(2), one Si(3), one Si(4), one Si(5), and one Si(6) atom. There are twenty inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Lu(1), one B(11), one B(15), one B(17), one B(5), one B(7), and one Si(4) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to one B(12), one B(14), one B(17), one B(4), one B(7), and one Si(3) atom. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Lu(1), one B(13), one B(16), one B(18), one B(6), one B(8), and one Si(3) atom. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to one Lu(1), one B(12), one B(14), one B(19), one B(2), one B(9), and one Si(6) atom. In the fifth B site, B(5) is bonded in a 6-coordinate geometry to one B(1), one B(11), one B(15), one B(19), one B(9), and one Si(5) atom. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Lu(1), one B(10), one B(13), one B(16), one B(20), one B(3), and one Si(5) atom. In the seventh B site, B(7) is bonded in a 7-coordinate geometry to one Lu(1), one B(1), one B(14), one B(15), one B(17), one B(2), and one Si(5) atom. In the eighth B site, B(8) is bonded in a 8-coordinate geometry to two equivalent Lu(1), one B(18), two equivalent B(16), two equivalent B(3), and one Si(6) atom. In the ninth B site, B(9) is bonded in a 7-coordinate geometry to one Lu(1), one B(11), one B(12), one B(19), one B(4), one B(5), and one Si(3) atom. In the tenth B site, B(10) is bonded in a 8-coordinate geometry to two equivalent Lu(1), one B(20), two equivalent B(13), two equivalent B(6), and one Si(4) atom. In the eleventh B site, B(11) is bonded in a 6-coordinate geometry to one B(1), one B(11), one B(12), one B(17), one B(5), and one B(9) atom. In the twelfth B site, B(12) is bonded in a 7-coordinate geometry to one Lu(1), one B(11), one B(13), one B(17), one B(2), one B(4), and one B(9) atom. In the thirteenth B site, B(13) is bonded in a 7-coordinate geometry to one Lu(1), one B(10), one B(12), one B(13), one B(18), one B(3), and one B(6) atom. In the fourteenth B site, B(14) is bonded in a 6-coordinate geometry to one B(14), one B(15), one B(19), one B(2), one B(4), and one B(7) atom. In the fifteenth B site, B(15) is bonded in a 7-coordinate geometry to one Lu(1), one B(1), one B(14), one B(16), one B(19), one B(5), and one B(7) atom. In the sixteenth B site, B(16) is bonded in a 7-coordinate geometry to one Lu(1), one B(15), one B(16), one B(20), one B(3), one B(6), and one B(8) atom. In the seventeenth B site, B(17) is bonded in a 6-coordinate geometry to one B(1), one B(11), one B(12), one B(2), one B(7), and one Si(7) atom. In the eighteenth B site, B(18) is bonded in a 6-coordinate geometry to one B(8), two equivalent B(13), two equivalent B(3), and one Si(7) atom. In the nineteenth B site, B(19) is bonded in a distorted single-bond geometry to one B(14), one B(15), one B(4), one B(5), one B(9), and one C(1) atom. In the twentieth B site, B(20) is bonded in a distorted single-bond geometry to one B(10), two equivalent B(16), two equivalent B(6), and one C(1) atom. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent Lu(1), one Si(2), one Si(4), and two equivalent Si(3) atoms to form distorted corner-sharing SiLu2Si4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent Lu(1), one Si(1), one Si(6), and two equivalent Si(5) atoms to form distorted corner-sharing SiLu2Si4 tetrahedra. In the third Si site, Si(3) is bonded in a 5-coordinate geometry to one Lu(1), one B(2), one B(3), one B(9), and one Si(1) atom. In the fourth Si site, Si(4) is bonded in a 6-coordinate geometry to two equivalent Lu(1), one B(10), two equivalent B(1), and one Si(1) atom. In the fifth Si site, Si(5) is bonded in a 5-coordinate geometry to one Lu(1), one B(5), one B(6), one B(7), and one Si(2) atom. In the sixth Si site, Si(6) is bonded in a 6-coordinate geometry to two equivalent Lu(1), one B(8), two equivalent B(4), and one Si(2) atom. In the seventh Si site, Si(7) is bonded in a distorted tetrahedral geometry to one B(18), two equivalent B(17), and one C(1) atom. C(1) is bonded in a tetrahedral geometry to one B(20), two equivalent B(19), and one Si(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2Si9B36C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.024
_cell_length_b   8.024
_cell_length_c   7.989
_cell_angle_alpha   78.055
_cell_angle_beta   78.055
_cell_angle_gamma   78.047
_symmetry_Int_Tables_number   1
_cell_volume   485.028
_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
  Lu  Lu0  1  0.000  0.501  0.501  1.0
  Lu  Lu1  1  0.501  0.000  0.501  1.0
  Si  Si2  1  0.428  0.428  0.427  1.0
  Si  Si3  1  0.570  0.570  0.572  1.0
  Si  Si4  1  0.266  0.656  0.255  1.0
  Si  Si5  1  0.263  0.263  0.661  1.0
  Si  Si6  1  0.656  0.266  0.255  1.0
  Si  Si7  1  0.734  0.346  0.745  1.0
  Si  Si8  1  0.737  0.737  0.340  1.0
  Si  Si9  1  0.346  0.734  0.745  1.0
  Si  Si10  1  0.045  0.045  0.043  1.0
  B  B11  1  0.421  0.107  0.823  1.0
  B  B12  1  0.820  0.420  0.107  1.0
  B  B13  1  0.109  0.819  0.419  1.0
  B  B14  1  0.819  0.109  0.419  1.0
  B  B15  1  0.420  0.820  0.107  1.0
  B  B16  1  0.107  0.421  0.823  1.0
  B  B17  1  0.587  0.892  0.172  1.0
  B  B18  1  0.175  0.588  0.892  1.0
  B  B19  1  0.890  0.177  0.589  1.0
  B  B20  1  0.177  0.890  0.589  1.0
  B  B21  1  0.588  0.175  0.892  1.0
  B  B22  1  0.892  0.587  0.172  1.0
  B  B23  1  0.446  0.874  0.874  1.0
  B  B24  1  0.874  0.446  0.874  1.0
  B  B25  1  0.874  0.874  0.445  1.0
  B  B26  1  0.563  0.122  0.122  1.0
  B  B27  1  0.122  0.563  0.122  1.0
  B  B28  1  0.122  0.122  0.564  1.0
  B  B29  1  0.374  0.201  0.019  1.0
  B  B30  1  0.019  0.375  0.197  1.0
  B  B31  1  0.198  0.018  0.374  1.0
  B  B32  1  0.018  0.198  0.374  1.0
  B  B33  1  0.375  0.019  0.197  1.0
  B  B34  1  0.201  0.374  0.019  1.0
  B  B35  1  0.628  0.796  0.978  1.0
  B  B36  1  0.978  0.628  0.799  1.0
  B  B37  1  0.798  0.979  0.628  1.0
  B  B38  1  0.979  0.798  0.628  1.0
  B  B39  1  0.628  0.978  0.799  1.0
  B  B40  1  0.796  0.628  0.978  1.0
  B  B41  1  0.296  0.006  0.006  1.0
  B  B42  1  0.006  0.296  0.006  1.0
  B  B43  1  0.006  0.006  0.295  1.0
  B  B44  1  0.723  0.982  0.982  1.0
  B  B45  1  0.982  0.723  0.982  1.0
  B  B46  1  0.982  0.982  0.725  1.0
  C  C47  1  0.932  0.932  0.934  1.0
[/CIF]
.