The compound described by Cu11In9 crystallizes in the monoclinic C2/m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Cu(3), one Cu(6), two equivalent Cu(4), two equivalent Cu(5), one In(2), two equivalent In(1), and two equivalent In(3) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Cu(3), one Cu(5), two equivalent Cu(6), one In(1), two equivalent In(2), two equivalent In(4), and two equivalent In(5) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Cu(1), one Cu(2), one Cu(5), one Cu(6), one In(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms. In the fourth Cu site, Cu(4) is bonded to two equivalent Cu(5), four equivalent Cu(1), two equivalent In(1), and four equivalent In(3) atoms to form face-sharing CuIn6Cu6 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), two equivalent Cu(1), one In(1), two equivalent In(2), and three equivalent In(3) atoms. In the sixth Cu site, Cu(6) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(3), two equivalent Cu(2), one In(2), one In(5), two equivalent In(1), and three equivalent In(4) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Cu(2), one Cu(4), one Cu(5), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(6), and one In(2) atom. In the second In site, In(2) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(6), two equivalent Cu(2), two equivalent Cu(3), two equivalent Cu(5), one In(1), one In(3), and one In(5) atom. In the third In site, In(3) is bonded in a 11-coordinate geometry to one Cu(3), two equivalent Cu(1), two equivalent Cu(4), three equivalent Cu(5), one In(2), and two equivalent In(3) atoms. In the fourth In site, In(4) is bonded in a 6-coordinate geometry to one Cu(3), two equivalent Cu(2), and three equivalent Cu(6) atoms. In the fifth In site, In(5) is bonded in a 6-coordinate geometry to two equivalent Cu(6), four equivalent Cu(2), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In9Cu11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.542
_cell_length_b   6.846
_cell_length_c   12.127
_cell_angle_alpha   102.889
_cell_angle_beta   79.206
_cell_angle_gamma   109.375
_symmetry_Int_Tables_number   1
_cell_volume   344.136
_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
  In  In0  1  0.126  0.738  0.487  1.0
  In  In1  1  0.616  0.238  0.006  1.0
  In  In2  1  0.374  0.762  0.013  1.0
  In  In3  1  0.884  0.262  0.494  1.0
  In  In4  1  0.579  0.430  0.272  1.0
  In  In5  1  0.073  0.914  0.769  1.0
  In  In6  1  0.921  0.070  0.228  1.0
  In  In7  1  0.427  0.586  0.731  1.0
  In  In8  1  0.750  0.250  0.750  1.0
  Cu  Cu9  1  0.775  0.664  0.115  1.0
  Cu  Cu10  1  0.276  0.159  0.608  1.0
  Cu  Cu11  1  0.725  0.836  0.385  1.0
  Cu  Cu12  1  0.224  0.341  0.892  1.0
  Cu  Cu13  1  0.001  0.001  0.000  1.0
  Cu  Cu14  1  0.499  0.499  0.500  1.0
  Cu  Cu15  1  0.250  0.750  0.250  1.0
  Cu  Cu16  1  0.356  0.096  0.383  1.0
  Cu  Cu17  1  0.858  0.609  0.893  1.0
  Cu  Cu18  1  0.144  0.404  0.117  1.0
  Cu  Cu19  1  0.642  0.891  0.607  1.0
[/CIF]
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The compound described by Cu11In9 crystallizes in the monoclinic C2/m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Cu(3), one Cu(6), two equivalent Cu(4), two equivalent Cu(5), one In(2), two equivalent In(1), and two equivalent In(3) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to one Cu(3), one Cu(5), two equivalent Cu(6), one In(1), two equivalent In(2), two equivalent In(4), and two equivalent In(5) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Cu(1), one Cu(2), one Cu(5), one Cu(6), one In(3), one In(4), two equivalent In(1), and two equivalent In(2) atoms. In the fourth Cu site, Cu(4) is bonded to two equivalent Cu(5), four equivalent Cu(1), two equivalent In(1), and four equivalent In(3) atoms to form face-sharing CuIn6Cu6 cuboctahedra. In the fifth Cu site, Cu(5) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), two equivalent Cu(1), one In(1), two equivalent In(2), and three equivalent In(3) atoms. In the sixth Cu site, Cu(6) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(3), two equivalent Cu(2), one In(2), one In(5), two equivalent In(1), and three equivalent In(4) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Cu(2), one Cu(4), one Cu(5), two equivalent Cu(1), two equivalent Cu(3), two equivalent Cu(6), and one In(2) atom. In the second In site, In(2) is bonded in a 11-coordinate geometry to one Cu(1), one Cu(6), two equivalent Cu(2), two equivalent Cu(3), two equivalent Cu(5), one In(1), one In(3), and one In(5) atom. In the third In site, In(3) is bonded in a 11-coordinate geometry to one Cu(3), two equivalent Cu(1), two equivalent Cu(4), three equivalent Cu(5), one In(2), and two equivalent In(3) atoms. In the fourth In site, In(4) is bonded in a 6-coordinate geometry to one Cu(3), two equivalent Cu(2), and three equivalent Cu(6) atoms. In the fifth In site, In(5) is bonded in a 6-coordinate geometry to two equivalent Cu(6), four equivalent Cu(2), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_In9Cu11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.542
_cell_length_b   6.846
_cell_length_c   12.127
_cell_angle_alpha   102.889
_cell_angle_beta   79.206
_cell_angle_gamma   109.375
_symmetry_Int_Tables_number   1
_cell_volume   344.136
_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
  In  In0  1  0.126  0.738  0.487  1.0
  In  In1  1  0.616  0.238  0.006  1.0
  In  In2  1  0.374  0.762  0.013  1.0
  In  In3  1  0.884  0.262  0.494  1.0
  In  In4  1  0.579  0.430  0.272  1.0
  In  In5  1  0.073  0.914  0.769  1.0
  In  In6  1  0.921  0.070  0.228  1.0
  In  In7  1  0.427  0.586  0.731  1.0
  In  In8  1  0.750  0.250  0.750  1.0
  Cu  Cu9  1  0.775  0.664  0.115  1.0
  Cu  Cu10  1  0.276  0.159  0.608  1.0
  Cu  Cu11  1  0.725  0.836  0.385  1.0
  Cu  Cu12  1  0.224  0.341  0.892  1.0
  Cu  Cu13  1  0.001  0.001  0.000  1.0
  Cu  Cu14  1  0.499  0.499  0.500  1.0
  Cu  Cu15  1  0.250  0.750  0.250  1.0
  Cu  Cu16  1  0.356  0.096  0.383  1.0
  Cu  Cu17  1  0.858  0.609  0.893  1.0
  Cu  Cu18  1  0.144  0.404  0.117  1.0
  Cu  Cu19  1  0.642  0.891  0.607  1.0
[/CIF]
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