The compound described by Li2CaSiO4 crystallizes in the tetragonal I-42m space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Si(1)O4 tetrahedra and corners with four equivalent Li(1)O4 trigonal pyramids. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Ca(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Li2CaSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.877
_cell_length_b   4.877
_cell_length_c   4.877
_cell_angle_alpha   117.641
_cell_angle_beta   117.641
_cell_angle_gamma   94.138
_symmetry_Int_Tables_number   1
_cell_volume   84.724
_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  0.250  0.750  0.500  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.948  0.332  0.000  1.0
  O  O5  1  0.332  0.948  0.000  1.0
  O  O6  1  0.668  0.668  0.616  1.0
  O  O7  1  0.052  0.052  0.384  1.0
[/CIF]
.
The compound described by Li2CaSiO4 crystallizes in the tetragonal I-42m space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Si(1)O4 tetrahedra and corners with four equivalent Li(1)O4 trigonal pyramids. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids. O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Ca(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Li2CaSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.877
_cell_length_b   4.877
_cell_length_c   4.877
_cell_angle_alpha   117.641
_cell_angle_beta   117.641
_cell_angle_gamma   94.138
_symmetry_Int_Tables_number   1
_cell_volume   84.724
_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  0.250  0.750  0.500  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.948  0.332  0.000  1.0
  O  O5  1  0.332  0.948  0.000  1.0
  O  O6  1  0.668  0.668  0.616  1.0
  O  O7  1  0.052  0.052  0.384  1.0
[/CIF]
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