The material structure described by Li2CrSiO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CrO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Cr(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), and one Si(1) atom to form distorted corner-sharing OLi2CrSi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one Si(1) atom to form corner-sharing OLi2CrSi tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(1), and one Si(1) atom to form distorted corner-sharing OLi2CrSi trigonal pyramids. is represented by the CIF file [CIF]
data_Li2CrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   6.587
_cell_length_c   5.275
_cell_angle_alpha   90.000
_cell_angle_beta   89.992
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.739
_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  0.008  0.248  0.674  1.0
  Li  Li1  1  0.508  0.252  0.326  1.0
  Li  Li2  1  0.508  0.748  0.326  1.0
  Li  Li3  1  0.008  0.752  0.674  1.0
  Cr  Cr4  1  0.495  0.500  0.798  1.0
  Cr  Cr5  1  0.995  0.000  0.202  1.0
  Si  Si6  1  0.520  0.000  0.834  1.0
  Si  Si7  1  0.020  0.500  0.166  1.0
  O  O8  1  0.429  1.000  0.138  1.0
  O  O9  1  0.929  0.500  0.862  1.0
  O  O10  1  0.851  1.000  0.816  1.0
  O  O11  1  0.351  0.500  0.184  1.0
  O  O12  1  0.409  0.208  0.692  1.0
  O  O13  1  0.909  0.292  0.308  1.0
  O  O14  1  0.909  0.708  0.308  1.0
  O  O15  1  0.409  0.792  0.692  1.0
[/CIF]
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The material structure described by Li2CrSiO4 is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted CrO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Cr(1)O4 tetrahedra and corners with eight equivalent Li(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cr(1), and one Si(1) atom to form distorted corner-sharing OLi2CrSi tetrahedra. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one Si(1) atom to form corner-sharing OLi2CrSi tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(1), and one Si(1) atom to form distorted corner-sharing OLi2CrSi trigonal pyramids. is represented by the CIF file [CIF]
data_Li2CrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.972
_cell_length_b   6.587
_cell_length_c   5.275
_cell_angle_alpha   90.000
_cell_angle_beta   89.992
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   172.739
_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  0.008  0.248  0.674  1.0
  Li  Li1  1  0.508  0.252  0.326  1.0
  Li  Li2  1  0.508  0.748  0.326  1.0
  Li  Li3  1  0.008  0.752  0.674  1.0
  Cr  Cr4  1  0.495  0.500  0.798  1.0
  Cr  Cr5  1  0.995  0.000  0.202  1.0
  Si  Si6  1  0.520  0.000  0.834  1.0
  Si  Si7  1  0.020  0.500  0.166  1.0
  O  O8  1  0.429  1.000  0.138  1.0
  O  O9  1  0.929  0.500  0.862  1.0
  O  O10  1  0.851  1.000  0.816  1.0
  O  O11  1  0.351  0.500  0.184  1.0
  O  O12  1  0.409  0.208  0.692  1.0
  O  O13  1  0.909  0.292  0.308  1.0
  O  O14  1  0.909  0.708  0.308  1.0
  O  O15  1  0.409  0.792  0.692  1.0
[/CIF]
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