The material described by Li2Cr(SiO3)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. There are four 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 a mixture of distorted edge and corner-sharing OLi2CrSi tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Li2Cr(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.860
_cell_length_c   9.125
_cell_angle_alpha   89.677
_cell_angle_beta   90.388
_cell_angle_gamma   62.009
_symmetry_Int_Tables_number   1
_cell_volume   276.735
_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  0.590  0.691  0.886  1.0
  Li  Li1  1  0.310  0.409  0.386  1.0
  Li  Li2  1  0.690  0.591  0.614  1.0
  Li  Li3  1  0.410  0.309  0.114  1.0
  Cr  Cr4  1  0.244  0.244  0.750  1.0
  Cr  Cr5  1  0.756  0.756  0.250  1.0
  Si  Si6  1  0.128  0.801  0.638  1.0
  Si  Si7  1  0.199  0.872  0.138  1.0
  Si  Si8  1  0.801  0.128  0.862  1.0
  Si  Si9  1  0.872  0.199  0.362  1.0
  O  O10  1  0.354  0.850  0.716  1.0
  O  O11  1  0.150  0.645  0.216  1.0
  O  O12  1  0.235  0.503  0.592  1.0
  O  O13  1  0.497  0.765  0.092  1.0
  O  O14  1  0.878  0.878  0.750  1.0
  O  O15  1  1.000  0.000  0.500  1.0
  O  O16  1  0.122  0.122  0.250  1.0
  O  O17  1  1.000  0.000  0.000  1.0
  O  O18  1  0.503  0.235  0.908  1.0
  O  O19  1  0.765  0.497  0.409  1.0
  O  O20  1  0.850  0.355  0.784  1.0
  O  O21  1  0.646  0.150  0.284  1.0
[/CIF]
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The material described by Li2Cr(SiO3)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Cr(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CrO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with two equivalent Si(1)O4 tetrahedra. There are four 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 a mixture of distorted edge and corner-sharing OLi2CrSi tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to two equivalent Si(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_Li2Cr(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.861
_cell_length_b   5.860
_cell_length_c   9.125
_cell_angle_alpha   89.677
_cell_angle_beta   90.388
_cell_angle_gamma   62.009
_symmetry_Int_Tables_number   1
_cell_volume   276.735
_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  0.590  0.691  0.886  1.0
  Li  Li1  1  0.310  0.409  0.386  1.0
  Li  Li2  1  0.690  0.591  0.614  1.0
  Li  Li3  1  0.410  0.309  0.114  1.0
  Cr  Cr4  1  0.244  0.244  0.750  1.0
  Cr  Cr5  1  0.756  0.756  0.250  1.0
  Si  Si6  1  0.128  0.801  0.638  1.0
  Si  Si7  1  0.199  0.872  0.138  1.0
  Si  Si8  1  0.801  0.128  0.862  1.0
  Si  Si9  1  0.872  0.199  0.362  1.0
  O  O10  1  0.354  0.850  0.716  1.0
  O  O11  1  0.150  0.645  0.216  1.0
  O  O12  1  0.235  0.503  0.592  1.0
  O  O13  1  0.497  0.765  0.092  1.0
  O  O14  1  0.878  0.878  0.750  1.0
  O  O15  1  1.000  0.000  0.500  1.0
  O  O16  1  0.122  0.122  0.250  1.0
  O  O17  1  1.000  0.000  0.000  1.0
  O  O18  1  0.503  0.235  0.908  1.0
  O  O19  1  0.765  0.497  0.409  1.0
  O  O20  1  0.850  0.355  0.784  1.0
  O  O21  1  0.646  0.150  0.284  1.0
[/CIF]
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