The compound described by LiCuSi2O5 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Cu(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Cu(1), and one Si(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Si(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LiCuSi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.936
_cell_length_b   5.737
_cell_length_c   7.972
_cell_angle_alpha   73.015
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.895
_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
  Li  Li0  1  0.683  0.057  0.176  1.0
  Li  Li1  1  0.183  0.943  0.824  1.0
  Cu  Cu2  1  0.714  0.986  0.628  1.0
  Cu  Cu3  1  0.214  0.014  0.372  1.0
  Si  Si4  1  0.182  0.353  0.985  1.0
  Si  Si5  1  0.669  0.450  0.404  1.0
  Si  Si6  1  0.169  0.550  0.596  1.0
  Si  Si7  1  0.682  0.647  0.015  1.0
  O  O8  1  0.283  0.105  0.125  1.0
  O  O9  1  0.740  0.183  0.386  1.0
  O  O10  1  0.225  0.328  0.784  1.0
  O  O11  1  0.854  0.402  0.006  1.0
  O  O12  1  0.344  0.469  0.447  1.0
  O  O13  1  0.844  0.531  0.553  1.0
  O  O14  1  0.354  0.598  0.994  1.0
  O  O15  1  0.725  0.672  0.216  1.0
  O  O16  1  0.240  0.817  0.614  1.0
  O  O17  1  0.783  0.895  0.875  1.0
[/CIF]
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The compound described by LiCuSi2O5 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Cu(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with four equivalent Li(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Cu(1), and one Si(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Si(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_LiCuSi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.936
_cell_length_b   5.737
_cell_length_c   7.972
_cell_angle_alpha   73.015
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.895
_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
  Li  Li0  1  0.683  0.057  0.176  1.0
  Li  Li1  1  0.183  0.943  0.824  1.0
  Cu  Cu2  1  0.714  0.986  0.628  1.0
  Cu  Cu3  1  0.214  0.014  0.372  1.0
  Si  Si4  1  0.182  0.353  0.985  1.0
  Si  Si5  1  0.669  0.450  0.404  1.0
  Si  Si6  1  0.169  0.550  0.596  1.0
  Si  Si7  1  0.682  0.647  0.015  1.0
  O  O8  1  0.283  0.105  0.125  1.0
  O  O9  1  0.740  0.183  0.386  1.0
  O  O10  1  0.225  0.328  0.784  1.0
  O  O11  1  0.854  0.402  0.006  1.0
  O  O12  1  0.344  0.469  0.447  1.0
  O  O13  1  0.844  0.531  0.553  1.0
  O  O14  1  0.354  0.598  0.994  1.0
  O  O15  1  0.725  0.672  0.216  1.0
  O  O16  1  0.240  0.817  0.614  1.0
  O  O17  1  0.783  0.895  0.875  1.0
[/CIF]
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