The compound described by Y11(In3Si2)2 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent In(1), one Si(1), one Si(2), and one Si(3) atom to form a mixture of distorted edge, face, and corner-sharing YIn4Si3 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to two equivalent In(1), two equivalent In(2), one Si(3), and two equivalent Si(1) atoms. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one In(2), two equivalent In(1), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth Y site, Y(4) is bonded in a 9-coordinate geometry to four equivalent In(1), four equivalent In(2), and one Si(2) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to one Y(3), one Y(4), two equivalent Y(2), four equivalent Y(1), one In(1), and one In(2) atom. In the second In site, In(2) is bonded in a 11-coordinate geometry to one Y(3), two equivalent Y(4), four equivalent Y(2), two equivalent In(1), and two equivalent In(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(3), and four equivalent Y(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Y(4), four equivalent Y(1), and four equivalent Y(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y11(In3Si2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.521
_cell_length_b   11.521
_cell_length_c   11.521
_cell_angle_alpha   120.019
_cell_angle_beta   120.019
_cell_angle_gamma   89.967
_symmetry_Int_Tables_number   1
_cell_volume   1081.103
_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
  Y  Y0  1  0.685  0.935  0.250  1.0
  Y  Y1  1  0.685  0.435  0.750  1.0
  Y  Y2  1  0.935  0.685  0.250  1.0
  Y  Y3  1  0.435  0.685  0.750  1.0
  Y  Y4  1  0.315  0.065  0.750  1.0
  Y  Y5  1  0.315  0.565  0.250  1.0
  Y  Y6  1  0.065  0.315  0.750  1.0
  Y  Y7  1  0.565  0.315  0.250  1.0
  Y  Y8  1  0.899  0.245  0.347  1.0
  Y  Y9  1  0.899  0.552  0.653  1.0
  Y  Y10  1  0.245  0.899  0.347  1.0
  Y  Y11  1  0.552  0.899  0.653  1.0
  Y  Y12  1  0.101  0.755  0.653  1.0
  Y  Y13  1  0.101  0.448  0.347  1.0
  Y  Y14  1  0.755  0.101  0.653  1.0
  Y  Y15  1  0.448  0.101  0.347  1.0
  Y  Y16  1  0.332  0.332  0.665  1.0
  Y  Y17  1  0.668  0.668  0.335  1.0
  Y  Y18  1  0.332  0.668  0.000  1.0
  Y  Y19  1  0.668  0.332  0.000  1.0
  Y  Y20  1  0.833  0.833  0.000  1.0
  Y  Y21  1  0.167  0.167  0.000  1.0
  In  In22  1  0.036  0.036  0.413  1.0
  In  In23  1  0.623  0.623  0.587  1.0
  In  In24  1  0.036  0.623  0.000  1.0
  In  In25  1  0.623  0.036  0.000  1.0
  In  In26  1  0.964  0.964  0.587  1.0
  In  In27  1  0.377  0.377  0.413  1.0
  In  In28  1  0.964  0.377  0.000  1.0
  In  In29  1  0.377  0.964  0.000  1.0
  In  In30  1  0.129  0.129  0.258  1.0
  In  In31  1  0.871  0.871  0.742  1.0
  In  In32  1  0.129  0.871  0.000  1.0
  In  In33  1  0.871  0.129  0.000  1.0
  Si  Si34  1  0.152  0.500  0.652  1.0
  Si  Si35  1  0.848  0.500  0.348  1.0
  Si  Si36  1  0.500  0.848  0.348  1.0
  Si  Si37  1  0.500  0.152  0.652  1.0
  Si  Si38  1  0.617  0.617  0.000  1.0
  Si  Si39  1  0.383  0.383  0.000  1.0
  Si  Si40  1  0.750  0.250  0.500  1.0
  Si  Si41  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by Y11(In3Si2)2 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent In(1), one Si(1), one Si(2), and one Si(3) atom to form a mixture of distorted edge, face, and corner-sharing YIn4Si3 pentagonal bipyramids. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to two equivalent In(1), two equivalent In(2), one Si(3), and two equivalent Si(1) atoms. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one In(2), two equivalent In(1), two equivalent Si(1), and two equivalent Si(2) atoms. In the fourth Y site, Y(4) is bonded in a 9-coordinate geometry to four equivalent In(1), four equivalent In(2), and one Si(2) atom. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to one Y(3), one Y(4), two equivalent Y(2), four equivalent Y(1), one In(1), and one In(2) atom. In the second In site, In(2) is bonded in a 11-coordinate geometry to one Y(3), two equivalent Y(4), four equivalent Y(2), two equivalent In(1), and two equivalent In(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Y(1), two equivalent Y(3), and four equivalent Y(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Y(4), four equivalent Y(1), and four equivalent Y(3) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Y(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y11(In3Si2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.521
_cell_length_b   11.521
_cell_length_c   11.521
_cell_angle_alpha   120.019
_cell_angle_beta   120.019
_cell_angle_gamma   89.967
_symmetry_Int_Tables_number   1
_cell_volume   1081.103
_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
  Y  Y0  1  0.685  0.935  0.250  1.0
  Y  Y1  1  0.685  0.435  0.750  1.0
  Y  Y2  1  0.935  0.685  0.250  1.0
  Y  Y3  1  0.435  0.685  0.750  1.0
  Y  Y4  1  0.315  0.065  0.750  1.0
  Y  Y5  1  0.315  0.565  0.250  1.0
  Y  Y6  1  0.065  0.315  0.750  1.0
  Y  Y7  1  0.565  0.315  0.250  1.0
  Y  Y8  1  0.899  0.245  0.347  1.0
  Y  Y9  1  0.899  0.552  0.653  1.0
  Y  Y10  1  0.245  0.899  0.347  1.0
  Y  Y11  1  0.552  0.899  0.653  1.0
  Y  Y12  1  0.101  0.755  0.653  1.0
  Y  Y13  1  0.101  0.448  0.347  1.0
  Y  Y14  1  0.755  0.101  0.653  1.0
  Y  Y15  1  0.448  0.101  0.347  1.0
  Y  Y16  1  0.332  0.332  0.665  1.0
  Y  Y17  1  0.668  0.668  0.335  1.0
  Y  Y18  1  0.332  0.668  0.000  1.0
  Y  Y19  1  0.668  0.332  0.000  1.0
  Y  Y20  1  0.833  0.833  0.000  1.0
  Y  Y21  1  0.167  0.167  0.000  1.0
  In  In22  1  0.036  0.036  0.413  1.0
  In  In23  1  0.623  0.623  0.587  1.0
  In  In24  1  0.036  0.623  0.000  1.0
  In  In25  1  0.623  0.036  0.000  1.0
  In  In26  1  0.964  0.964  0.587  1.0
  In  In27  1  0.377  0.377  0.413  1.0
  In  In28  1  0.964  0.377  0.000  1.0
  In  In29  1  0.377  0.964  0.000  1.0
  In  In30  1  0.129  0.129  0.258  1.0
  In  In31  1  0.871  0.871  0.742  1.0
  In  In32  1  0.129  0.871  0.000  1.0
  In  In33  1  0.871  0.129  0.000  1.0
  Si  Si34  1  0.152  0.500  0.652  1.0
  Si  Si35  1  0.848  0.500  0.348  1.0
  Si  Si36  1  0.500  0.848  0.348  1.0
  Si  Si37  1  0.500  0.152  0.652  1.0
  Si  Si38  1  0.617  0.617  0.000  1.0
  Si  Si39  1  0.383  0.383  0.000  1.0
  Si  Si40  1  0.750  0.250  0.500  1.0
  Si  Si41  1  0.250  0.750  0.500  1.0
[/CIF]
.