The material structure described by Li2Fe(SiO3)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted FeO4 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 Fe(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 Fe(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1) and 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 Crystallographic Information File (CIF) [CIF]
data_Li2Fe(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.652
_cell_length_c   9.408
_cell_angle_alpha   90.873
_cell_angle_beta   89.113
_cell_angle_gamma   62.909
_symmetry_Int_Tables_number   1
_cell_volume   267.477
_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  0.604  0.736  0.882  1.0
  Li  Li1  1  0.264  0.396  0.382  1.0
  Li  Li2  1  0.736  0.604  0.618  1.0
  Li  Li3  1  0.396  0.264  0.118  1.0
  Fe  Fe4  1  0.260  0.260  0.750  1.0
  Fe  Fe5  1  0.740  0.740  0.250  1.0
  Si  Si6  1  0.140  0.805  0.632  1.0
  Si  Si7  1  0.195  0.860  0.132  1.0
  Si  Si8  1  0.805  0.140  0.868  1.0
  Si  Si9  1  0.860  0.195  0.368  1.0
  O  O10  1  0.376  0.859  0.699  1.0
  O  O11  1  0.141  0.624  0.199  1.0
  O  O12  1  0.225  0.497  0.586  1.0
  O  O13  1  0.503  0.774  0.086  1.0
  O  O14  1  0.888  0.888  0.750  1.0
  O  O15  1  1.000  0.000  0.500  1.0
  O  O16  1  0.112  0.112  0.250  1.0
  O  O17  1  1.000  1.000  0.000  1.0
  O  O18  1  0.497  0.225  0.914  1.0
  O  O19  1  0.774  0.503  0.414  1.0
  O  O20  1  0.859  0.376  0.801  1.0
  O  O21  1  0.624  0.141  0.301  1.0
[/CIF]
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The material structure described by Li2Fe(SiO3)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted FeO4 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 Fe(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 Fe(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2FeSi trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Fe(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Li(1) and 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 Crystallographic Information File (CIF) [CIF]
data_Li2Fe(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.652
_cell_length_b   5.652
_cell_length_c   9.408
_cell_angle_alpha   90.873
_cell_angle_beta   89.113
_cell_angle_gamma   62.909
_symmetry_Int_Tables_number   1
_cell_volume   267.477
_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  0.604  0.736  0.882  1.0
  Li  Li1  1  0.264  0.396  0.382  1.0
  Li  Li2  1  0.736  0.604  0.618  1.0
  Li  Li3  1  0.396  0.264  0.118  1.0
  Fe  Fe4  1  0.260  0.260  0.750  1.0
  Fe  Fe5  1  0.740  0.740  0.250  1.0
  Si  Si6  1  0.140  0.805  0.632  1.0
  Si  Si7  1  0.195  0.860  0.132  1.0
  Si  Si8  1  0.805  0.140  0.868  1.0
  Si  Si9  1  0.860  0.195  0.368  1.0
  O  O10  1  0.376  0.859  0.699  1.0
  O  O11  1  0.141  0.624  0.199  1.0
  O  O12  1  0.225  0.497  0.586  1.0
  O  O13  1  0.503  0.774  0.086  1.0
  O  O14  1  0.888  0.888  0.750  1.0
  O  O15  1  1.000  0.000  0.500  1.0
  O  O16  1  0.112  0.112  0.250  1.0
  O  O17  1  1.000  1.000  0.000  1.0
  O  O18  1  0.497  0.225  0.914  1.0
  O  O19  1  0.774  0.503  0.414  1.0
  O  O20  1  0.859  0.376  0.801  1.0
  O  O21  1  0.624  0.141  0.301  1.0
[/CIF]
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