The material described by LiBSiO4 crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent B(1)O4 tetrahedra. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one B(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiSiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.669
_cell_length_b   4.669
_cell_length_c   4.669
_cell_angle_alpha   123.066
_cell_angle_beta   123.066
_cell_angle_gamma   84.766
_symmetry_Int_Tables_number   1
_cell_volume   68.312
_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  0.500  0.000  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.250  0.750  0.500  1.0
  O  O3  1  0.144  0.025  0.425  1.0
  O  O4  1  0.600  0.719  0.575  1.0
  O  O5  1  0.975  0.400  0.119  1.0
  O  O6  1  0.281  0.856  0.881  1.0
[/CIF]
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The material described by LiBSiO4 crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent B(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent B(1)O4 tetrahedra. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one B(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiSiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.669
_cell_length_b   4.669
_cell_length_c   4.669
_cell_angle_alpha   123.066
_cell_angle_beta   123.066
_cell_angle_gamma   84.766
_symmetry_Int_Tables_number   1
_cell_volume   68.312
_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  0.500  0.000  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  B  B2  1  0.250  0.750  0.500  1.0
  O  O3  1  0.144  0.025  0.425  1.0
  O  O4  1  0.600  0.719  0.575  1.0
  O  O5  1  0.975  0.400  0.119  1.0
  O  O6  1  0.281  0.856  0.881  1.0
[/CIF]
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