The compound described by K3LiSi4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(3), and three equivalent Si(2) atoms. Li(1) is bonded in a 6-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent Li(1), one Si(3), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent K(1), three equivalent K(2), one Li(1), one Si(1), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one K(1), four equivalent K(2), two equivalent Li(1), one Si(1), and two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3LiSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.674
_cell_length_b   9.790
_cell_length_c   12.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   923.684
_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
  K  K0  1  0.655  0.250  0.399  1.0
  K  K1  1  0.155  0.250  0.101  1.0
  K  K2  1  0.345  0.750  0.601  1.0
  K  K3  1  0.845  0.750  0.899  1.0
  K  K4  1  0.654  0.445  0.693  1.0
  K  K5  1  0.154  0.055  0.807  1.0
  K  K6  1  0.346  0.945  0.307  1.0
  K  K7  1  0.846  0.555  0.193  1.0
  K  K8  1  0.346  0.555  0.307  1.0
  K  K9  1  0.846  0.945  0.193  1.0
  K  K10  1  0.654  0.055  0.693  1.0
  K  K11  1  0.154  0.445  0.807  1.0
  Li  Li12  1  0.500  0.500  0.000  1.0
  Li  Li13  1  0.000  0.000  0.500  1.0
  Li  Li14  1  0.500  0.000  0.000  1.0
  Li  Li15  1  0.000  0.500  0.500  1.0
  Si  Si16  1  0.361  0.750  0.899  1.0
  Si  Si17  1  0.861  0.750  0.601  1.0
  Si  Si18  1  0.639  0.250  0.101  1.0
  Si  Si19  1  0.139  0.250  0.399  1.0
  Si  Si20  1  0.716  0.629  0.452  1.0
  Si  Si21  1  0.215  0.871  0.048  1.0
  Si  Si22  1  0.284  0.129  0.548  1.0
  Si  Si23  1  0.784  0.371  0.952  1.0
  Si  Si24  1  0.012  0.250  0.583  1.0
  Si  Si25  1  0.512  0.250  0.917  1.0
  Si  Si26  1  0.988  0.750  0.417  1.0
  Si  Si27  1  0.488  0.750  0.083  1.0
  Si  Si28  1  0.215  0.629  0.048  1.0
  Si  Si29  1  0.716  0.871  0.452  1.0
  Si  Si30  1  0.784  0.129  0.952  1.0
  Si  Si31  1  0.284  0.371  0.548  1.0
[/CIF]
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The compound described by K3LiSi4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Si(1), two equivalent Si(3), and three equivalent Si(2) atoms. Li(1) is bonded in a 6-coordinate geometry to two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent K(2), two equivalent Li(1), one Si(3), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent K(1), three equivalent K(2), one Li(1), one Si(1), one Si(2), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to one K(1), four equivalent K(2), two equivalent Li(1), one Si(1), and two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3LiSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.674
_cell_length_b   9.790
_cell_length_c   12.295
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   923.684
_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
  K  K0  1  0.655  0.250  0.399  1.0
  K  K1  1  0.155  0.250  0.101  1.0
  K  K2  1  0.345  0.750  0.601  1.0
  K  K3  1  0.845  0.750  0.899  1.0
  K  K4  1  0.654  0.445  0.693  1.0
  K  K5  1  0.154  0.055  0.807  1.0
  K  K6  1  0.346  0.945  0.307  1.0
  K  K7  1  0.846  0.555  0.193  1.0
  K  K8  1  0.346  0.555  0.307  1.0
  K  K9  1  0.846  0.945  0.193  1.0
  K  K10  1  0.654  0.055  0.693  1.0
  K  K11  1  0.154  0.445  0.807  1.0
  Li  Li12  1  0.500  0.500  0.000  1.0
  Li  Li13  1  0.000  0.000  0.500  1.0
  Li  Li14  1  0.500  0.000  0.000  1.0
  Li  Li15  1  0.000  0.500  0.500  1.0
  Si  Si16  1  0.361  0.750  0.899  1.0
  Si  Si17  1  0.861  0.750  0.601  1.0
  Si  Si18  1  0.639  0.250  0.101  1.0
  Si  Si19  1  0.139  0.250  0.399  1.0
  Si  Si20  1  0.716  0.629  0.452  1.0
  Si  Si21  1  0.215  0.871  0.048  1.0
  Si  Si22  1  0.284  0.129  0.548  1.0
  Si  Si23  1  0.784  0.371  0.952  1.0
  Si  Si24  1  0.012  0.250  0.583  1.0
  Si  Si25  1  0.512  0.250  0.917  1.0
  Si  Si26  1  0.988  0.750  0.417  1.0
  Si  Si27  1  0.488  0.750  0.083  1.0
  Si  Si28  1  0.215  0.629  0.048  1.0
  Si  Si29  1  0.716  0.871  0.452  1.0
  Si  Si30  1  0.784  0.129  0.952  1.0
  Si  Si31  1  0.284  0.371  0.548  1.0
[/CIF]
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