data_LiCoSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   10.08
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   126.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoSiO4
_chemical_formula_sum   'Li4 Co4 Si4 O16'
_cell_volume   347.97
_cell_formula_units_Z   4
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  0.5  0.42  0.45  1.0
  Li  Li1  1  0.05  0.46  0.73  1.0
  Li  Li2  1  0.01  0.62  0.06  1.0
  Li  Li3  1  0.56  0.67  0.34  1.0
  Co  Co4  1  0.53  0.78  0.03  1.0
  Co  Co5  1  0.04  0.82  0.36  1.0
  Co  Co6  1  0.02  0.26  0.42  1.0
  Co  Co7  1  0.53  0.3  0.75  1.0
  Si  Si8  1  0.57  0.11  0.85  1.0
  Si  Si9  1  0.0  0.15  0.55  1.0
  Si  Si10  1  0.06  0.94  0.24  1.0
  Si  Si11  1  0.49  0.98  0.94  1.0
  O  O12  1  0.11  0.29  0.89  1.0
  O  O13  1  0.38  0.32  0.32  1.0
  O  O14  1  0.44  0.57  0.99  1.0
  O  O15  1  0.78  0.67  0.51  1.0
  O  O16  1  0.79  0.71  0.88  1.0
  O  O17  1  0.13  0.53  0.4  1.0
  O  O18  1  0.19  0.28  0.07  1.0
  O  O19  1  0.44  0.25  0.29  1.0
  O  O20  1  0.62  0.83  0.5  1.0
  O  O21  1  0.86  0.81  0.71  1.0
  O  O22  1  0.93  0.55  0.38  1.0
  O  O23  1  0.27  0.37  0.9  1.0
  O  O24  1  0.28  0.41  0.28  1.0
  O  O25  1  0.61  0.51  0.8  1.0
  O  O26  1  0.68  0.76  0.46  1.0
  O  O27  1  0.95  0.79  0.89  1.0

data_LiCoSiO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.09
_cell_length_b   6.79
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.49
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiCoSiO4
_chemical_formula_sum   'Li4 Co4 Si4 O16'
_cell_volume   347.97
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.32  0.34  0.42  1.0
  Li  Li1  2  0.41  0.94  0.62  1.0
  Co  Co2  2  0.04  0.03  0.22  1.0
  Co  Co3  2  0.13  0.64  0.74  1.0
  Si  Si4  2  0.09  0.55  0.94  1.0
  Si  Si5  2  0.18  0.15  0.11  1.0
  O  O6  2  0.09  0.99  0.51  1.0
  O  O7  2  0.18  0.6  0.53  1.0
  O  O8  2  0.27  0.51  0.33  1.0
  O  O9  2  0.37  0.12  0.63  1.0
  O  O10  2  0.42  0.5  0.25  1.0
  O  O11  2  0.42  0.07  0.72  1.0
  O  O12  2  0.49  0.32  0.76  1.0
  O  O13  2  0.49  0.89  0.21  1.0

Li Li Li Li Co Co Co Co Si Si Si Si O O O O O O O O O O O O O O O O
LiCoSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(6) atom. The Li(1)-O(2) bond length is 1.32 Å. The Li(1)-O(4) bond length is 1.20 Å. The Li(1)-O(6) bond length is 2.04 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one O(1), one O(3), and one O(5) atom. The Li(2)-O(1) bond length is 2.05 Å. The Li(2)-O(3) bond length is 2.23 Å. The Li(2)-O(5) bond length is 1.48 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one Si(1), one O(1), one O(3), and one O(5) atom. The Co(1)-Si(1) bond length is 2.11 Å. The Co(1)-O(1) bond length is 2.45 Å. The Co(1)-O(3) bond length is 2.11 Å. The Co(1)-O(5) bond length is 2.40 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Si(2), one O(2), and one O(8) atom. The Co(2)-Si(2) bond length is 1.60 Å. The Co(2)-O(2) bond length is 2.51 Å. The Co(2)-O(8) bond length is 2.45 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one Co(1), one Si(1), and one Si(2) atom. The Si(1)-Si(1) bond length is 1.68 Å. The Si(1)-Si(2) bond length is 2.49 Å. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Co(2) and one Si(1) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one O(5), and one O(7) atom. The O(1)-O(5) bond length is 1.09 Å. The O(1)-O(7) bond length is 1.33 Å. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(1), one Co(2), and one O(8) atom. The O(2)-O(8) bond length is 0.85 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(2) and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Li(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Co(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one O(6) atom. The O(6)-O(6) bond length is 0.92 Å. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(8) atom. The O(7)-O(8) bond length is 1.49 Å. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(2), one O(2), and one O(7) atom.