The structure described by LiNiSi2O6 crystallizes in the orthorhombic C222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ni(1) is bonded to four equivalent O(2) atoms to form distorted NiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiSi2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.365
_cell_length_c   5.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.864
_symmetry_Int_Tables_number   1
_cell_volume   137.899
_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
  Li  Li0  1  0.500  0.000  0.500  1.0
  Ni  Ni1  1  1.000  0.000  0.500  1.0
  O  O2  1  0.737  0.474  0.000  1.0
  O  O3  1  0.263  0.526  0.000  1.0
  O  O4  1  0.131  0.789  0.667  1.0
  O  O5  1  0.659  0.789  0.333  1.0
  O  O6  1  0.341  0.211  0.333  1.0
  O  O7  1  0.869  0.211  0.667  1.0
  Si  Si8  1  0.000  0.500  0.834  1.0
  Si  Si9  1  0.500  0.500  0.166  1.0
[/CIF]
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The structure described by LiNiSi2O6 crystallizes in the orthorhombic C222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Ni(1) is bonded to four equivalent O(2) atoms to form distorted NiO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Ni(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Ni(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiSi2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.343
_cell_length_b   5.365
_cell_length_c   5.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.864
_symmetry_Int_Tables_number   1
_cell_volume   137.899
_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
  Li  Li0  1  0.500  0.000  0.500  1.0
  Ni  Ni1  1  1.000  0.000  0.500  1.0
  O  O2  1  0.737  0.474  0.000  1.0
  O  O3  1  0.263  0.526  0.000  1.0
  O  O4  1  0.131  0.789  0.667  1.0
  O  O5  1  0.659  0.789  0.333  1.0
  O  O6  1  0.341  0.211  0.333  1.0
  O  O7  1  0.869  0.211  0.667  1.0
  Si  Si8  1  0.000  0.500  0.834  1.0
  Si  Si9  1  0.500  0.500  0.166  1.0
[/CIF]
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