The compound described by LiFeSi2O6 crystallizes in the orthorhombic C222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Fe(1) is bonded to four equivalent O(1) atoms to form distorted FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms 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 two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_LiFe(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.381
_cell_length_c   5.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.112
_symmetry_Int_Tables_number   1
_cell_volume   141.282
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Si  Si2  1  0.500  0.000  0.663  1.0
  Si  Si3  1  0.000  0.500  0.337  1.0
  O  O4  1  0.155  0.367  0.171  1.0
  O  O5  1  0.633  0.845  0.829  1.0
  O  O6  1  0.241  0.759  0.500  1.0
  O  O7  1  0.759  0.241  0.500  1.0
  O  O8  1  0.367  0.155  0.829  1.0
  O  O9  1  0.845  0.633  0.171  1.0
[/CIF]
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The compound described by LiFeSi2O6 crystallizes in the orthorhombic C222 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Fe(1) is bonded to four equivalent O(1) atoms to form distorted FeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms 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 two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_LiFe(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.381
_cell_length_b   5.381
_cell_length_c   5.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.112
_symmetry_Int_Tables_number   1
_cell_volume   141.282
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.000  1.0
  Si  Si2  1  0.500  0.000  0.663  1.0
  Si  Si3  1  0.000  0.500  0.337  1.0
  O  O4  1  0.155  0.367  0.171  1.0
  O  O5  1  0.633  0.845  0.829  1.0
  O  O6  1  0.241  0.759  0.500  1.0
  O  O7  1  0.759  0.241  0.500  1.0
  O  O8  1  0.367  0.155  0.829  1.0
  O  O9  1  0.845  0.633  0.171  1.0
[/CIF]
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