The crystal structure described by Li7CuSi2 crystallizes in the orthorhombic Pnma space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(2), two equivalent Li(3), two equivalent Li(4), two equivalent Li(7), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), three equivalent Cu(1), and three equivalent Si(2) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1), two equivalent Li(4), one Si(2), and two equivalent Si(1) atoms. In the fourth Li site, Li(4) is bonded in a 11-coordinate geometry to one Li(5), two equivalent Li(1), two equivalent Li(3), two equivalent Li(6), two equivalent Si(1), and two equivalent Si(2) atoms. In the fifth Li site, Li(5) is bonded in a 10-coordinate geometry to one Li(2), one Li(4), three equivalent Li(6), three equivalent Cu(1), and two equivalent Si(2) atoms. In the sixth Li site, Li(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(4), three equivalent Li(5), two equivalent Cu(1), one Si(2), and two equivalent Si(1) atoms. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Cu(1), one Si(2), and two equivalent Si(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to two equivalent Li(6), two equivalent Li(7), three equivalent Li(2), three equivalent Li(5), one Si(1), and one Si(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Li(6), two equivalent Li(7), and one Cu(1) atom. In the second Si site, Si(2) is bonded in a 13-coordinate geometry to one Li(3), one Li(6), one Li(7), two equivalent Li(1), two equivalent Li(4), two equivalent Li(5), three equivalent Li(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Li7CuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.903
_cell_length_b   4.391
_cell_length_c   17.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.449
_cell_formula_units_Z   4
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
  Li  Li0  1  0.030  0.250  0.818  1.0
  Li  Li1  1  0.530  0.250  0.682  1.0
  Li  Li2  1  0.970  0.750  0.182  1.0
  Li  Li3  1  0.470  0.750  0.318  1.0
  Li  Li4  1  0.053  0.250  0.967  1.0
  Li  Li5  1  0.553  0.250  0.533  1.0
  Li  Li6  1  0.947  0.750  0.033  1.0
  Li  Li7  1  0.447  0.750  0.467  1.0
  Li  Li8  1  0.309  0.250  0.257  1.0
  Li  Li9  1  0.809  0.250  0.243  1.0
  Li  Li10  1  0.691  0.750  0.743  1.0
  Li  Li11  1  0.191  0.750  0.757  1.0
  Li  Li12  1  0.355  0.250  0.811  1.0
  Li  Li13  1  0.855  0.250  0.689  1.0
  Li  Li14  1  0.645  0.750  0.189  1.0
  Li  Li15  1  0.145  0.750  0.311  1.0
  Li  Li16  1  0.389  0.250  0.957  1.0
  Li  Li17  1  0.889  0.250  0.543  1.0
  Li  Li18  1  0.611  0.750  0.043  1.0
  Li  Li19  1  0.111  0.750  0.457  1.0
  Li  Li20  1  0.476  0.250  0.121  1.0
  Li  Li21  1  0.976  0.250  0.379  1.0
  Li  Li22  1  0.524  0.750  0.879  1.0
  Li  Li23  1  0.024  0.750  0.621  1.0
  Li  Li24  1  0.638  0.250  0.380  1.0
  Li  Li25  1  0.138  0.250  0.120  1.0
  Li  Li26  1  0.362  0.750  0.620  1.0
  Li  Li27  1  0.862  0.750  0.880  1.0
  Cu  Cu28  1  0.225  0.250  0.538  1.0
  Cu  Cu29  1  0.725  0.250  0.962  1.0
  Cu  Cu30  1  0.775  0.750  0.462  1.0
  Cu  Cu31  1  0.275  0.750  0.038  1.0
  Si  Si32  1  0.188  0.250  0.671  1.0
  Si  Si33  1  0.688  0.250  0.829  1.0
  Si  Si34  1  0.812  0.750  0.329  1.0
  Si  Si35  1  0.312  0.750  0.171  1.0
  Si  Si36  1  0.303  0.250  0.407  1.0
  Si  Si37  1  0.803  0.250  0.093  1.0
  Si  Si38  1  0.697  0.750  0.593  1.0
  Si  Si39  1  0.197  0.750  0.907  1.0
[/CIF]
.
The crystal structure described by Li7CuSi2 crystallizes in the orthorhombic Pnma space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to one Li(2), two equivalent Li(3), two equivalent Li(4), two equivalent Li(7), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), three equivalent Cu(1), and three equivalent Si(2) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1), two equivalent Li(4), one Si(2), and two equivalent Si(1) atoms. In the fourth Li site, Li(4) is bonded in a 11-coordinate geometry to one Li(5), two equivalent Li(1), two equivalent Li(3), two equivalent Li(6), two equivalent Si(1), and two equivalent Si(2) atoms. In the fifth Li site, Li(5) is bonded in a 10-coordinate geometry to one Li(2), one Li(4), three equivalent Li(6), three equivalent Cu(1), and two equivalent Si(2) atoms. In the sixth Li site, Li(6) is bonded in a distorted trigonal planar geometry to two equivalent Li(4), three equivalent Li(5), two equivalent Cu(1), one Si(2), and two equivalent Si(1) atoms. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Cu(1), one Si(2), and two equivalent Si(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to two equivalent Li(6), two equivalent Li(7), three equivalent Li(2), three equivalent Li(5), one Si(1), and one Si(2) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to two equivalent Li(1), two equivalent Li(3), two equivalent Li(4), two equivalent Li(6), two equivalent Li(7), and one Cu(1) atom. In the second Si site, Si(2) is bonded in a 13-coordinate geometry to one Li(3), one Li(6), one Li(7), two equivalent Li(1), two equivalent Li(4), two equivalent Li(5), three equivalent Li(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Li7CuSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.903
_cell_length_b   4.391
_cell_length_c   17.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.449
_cell_formula_units_Z   4
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
  Li  Li0  1  0.030  0.250  0.818  1.0
  Li  Li1  1  0.530  0.250  0.682  1.0
  Li  Li2  1  0.970  0.750  0.182  1.0
  Li  Li3  1  0.470  0.750  0.318  1.0
  Li  Li4  1  0.053  0.250  0.967  1.0
  Li  Li5  1  0.553  0.250  0.533  1.0
  Li  Li6  1  0.947  0.750  0.033  1.0
  Li  Li7  1  0.447  0.750  0.467  1.0
  Li  Li8  1  0.309  0.250  0.257  1.0
  Li  Li9  1  0.809  0.250  0.243  1.0
  Li  Li10  1  0.691  0.750  0.743  1.0
  Li  Li11  1  0.191  0.750  0.757  1.0
  Li  Li12  1  0.355  0.250  0.811  1.0
  Li  Li13  1  0.855  0.250  0.689  1.0
  Li  Li14  1  0.645  0.750  0.189  1.0
  Li  Li15  1  0.145  0.750  0.311  1.0
  Li  Li16  1  0.389  0.250  0.957  1.0
  Li  Li17  1  0.889  0.250  0.543  1.0
  Li  Li18  1  0.611  0.750  0.043  1.0
  Li  Li19  1  0.111  0.750  0.457  1.0
  Li  Li20  1  0.476  0.250  0.121  1.0
  Li  Li21  1  0.976  0.250  0.379  1.0
  Li  Li22  1  0.524  0.750  0.879  1.0
  Li  Li23  1  0.024  0.750  0.621  1.0
  Li  Li24  1  0.638  0.250  0.380  1.0
  Li  Li25  1  0.138  0.250  0.120  1.0
  Li  Li26  1  0.362  0.750  0.620  1.0
  Li  Li27  1  0.862  0.750  0.880  1.0
  Cu  Cu28  1  0.225  0.250  0.538  1.0
  Cu  Cu29  1  0.725  0.250  0.962  1.0
  Cu  Cu30  1  0.775  0.750  0.462  1.0
  Cu  Cu31  1  0.275  0.750  0.038  1.0
  Si  Si32  1  0.188  0.250  0.671  1.0
  Si  Si33  1  0.688  0.250  0.829  1.0
  Si  Si34  1  0.812  0.750  0.329  1.0
  Si  Si35  1  0.312  0.750  0.171  1.0
  Si  Si36  1  0.303  0.250  0.407  1.0
  Si  Si37  1  0.803  0.250  0.093  1.0
  Si  Si38  1  0.697  0.750  0.593  1.0
  Si  Si39  1  0.197  0.750  0.907  1.0
[/CIF]
.