The material structure described by LiCoSiO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form CoO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one Co(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one Co(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiCoSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.512
_cell_length_c   11.245
_cell_angle_alpha   89.957
_cell_angle_beta   89.957
_cell_angle_gamma   119.965
_symmetry_Int_Tables_number   1
_cell_volume   295.927
_cell_formula_units_Z   3
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
  Co  Co0  1  1.000  0.501  0.833  1.0
  Co  Co1  1  0.499  0.000  0.167  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  1.000  0.001  0.833  1.0
  Li  Li4  1  1.000  0.000  0.500  1.0
  Li  Li5  1  0.999  0.000  0.167  1.0
  O  O6  1  0.776  0.605  0.914  1.0
  O  O7  1  0.828  0.603  0.419  1.0
  O  O8  1  0.776  0.171  0.753  1.0
  O  O9  1  0.829  0.224  0.247  1.0
  O  O10  1  0.397  0.172  0.581  1.0
  O  O11  1  0.395  0.224  0.086  1.0
  O  O12  1  0.606  0.829  0.580  1.0
  O  O13  1  0.604  0.776  0.086  1.0
  O  O14  1  0.224  0.828  0.752  1.0
  O  O15  1  0.172  0.776  0.248  1.0
  O  O16  1  0.224  0.396  0.914  1.0
  O  O17  1  0.171  0.394  0.420  1.0
  Si  Si18  1  1.000  0.499  0.333  1.0
  Si  Si19  1  0.501  0.000  0.667  1.0
  Si  Si20  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by LiCoSiO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with two equivalent Si(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form CoO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with four equivalent Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(2), one Co(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(2), one Co(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiCoSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   5.512
_cell_length_c   11.245
_cell_angle_alpha   89.957
_cell_angle_beta   89.957
_cell_angle_gamma   119.965
_symmetry_Int_Tables_number   1
_cell_volume   295.927
_cell_formula_units_Z   3
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
  Co  Co0  1  1.000  0.501  0.833  1.0
  Co  Co1  1  0.499  0.000  0.167  1.0
  Co  Co2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  1.000  0.001  0.833  1.0
  Li  Li4  1  1.000  0.000  0.500  1.0
  Li  Li5  1  0.999  0.000  0.167  1.0
  O  O6  1  0.776  0.605  0.914  1.0
  O  O7  1  0.828  0.603  0.419  1.0
  O  O8  1  0.776  0.171  0.753  1.0
  O  O9  1  0.829  0.224  0.247  1.0
  O  O10  1  0.397  0.172  0.581  1.0
  O  O11  1  0.395  0.224  0.086  1.0
  O  O12  1  0.606  0.829  0.580  1.0
  O  O13  1  0.604  0.776  0.086  1.0
  O  O14  1  0.224  0.828  0.752  1.0
  O  O15  1  0.172  0.776  0.248  1.0
  O  O16  1  0.224  0.396  0.914  1.0
  O  O17  1  0.171  0.394  0.420  1.0
  Si  Si18  1  1.000  0.499  0.333  1.0
  Si  Si19  1  0.501  0.000  0.667  1.0
  Si  Si20  1  0.500  0.500  0.000  1.0
[/CIF]
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