data_Li2Co3(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   8.85
_cell_length_c   13.3
_cell_angle_alpha   108.29
_cell_angle_beta   99.76
_cell_angle_gamma   90.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co3(SiO4)2
_chemical_formula_sum   'Li6 Co9 Si6 O24'
_cell_volume   545.61
_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
  Li  Li0  1  0.43  0.89  0.54  1.0
  Li  Li1  1  0.28  0.66  0.58  1.0
  Li  Li2  1  0.21  0.72  0.91  1.0
  Li  Li3  1  0.46  0.27  0.61  1.0
  Li  Li4  1  0.75  0.52  0.46  1.0
  Li  Li5  1  0.79  0.52  0.15  1.0
  Co  Co6  1  0.77  0.9  0.36  1.0
  Co  Co7  1  0.22  0.78  0.1  1.0
  Co  Co8  1  0.59  0.24  0.29  1.0
  Co  Co9  1  0.55  0.19  0.24  1.0
  Co  Co10  1  0.6  0.8  0.42  1.0
  Co  Co11  1  0.86  0.54  0.47  1.0
  Co  Co12  1  0.86  0.36  0.34  1.0
  Co  Co13  1  0.07  0.21  0.54  1.0
  Co  Co14  1  0.95  0.05  0.7  1.0
  Si  Si15  1  1.0  0.89  0.59  1.0
  Si  Si16  1  0.19  0.16  0.64  1.0
  Si  Si17  1  0.35  0.27  0.09  1.0
  Si  Si18  1  0.46  0.72  0.44  1.0
  Si  Si19  1  0.71  0.12  0.41  1.0
  Si  Si20  1  0.09  0.45  0.55  1.0
  O  O21  1  0.82  0.36  0.34  1.0
  O  O22  1  0.72  0.78  0.47  1.0
  O  O23  1  0.96  0.7  0.28  1.0
  O  O24  1  0.84  0.51  0.69  1.0
  O  O25  1  0.57  0.65  0.95  1.0
  O  O26  1  0.43  0.49  0.42  1.0
  O  O27  1  0.53  0.29  0.42  1.0
  O  O28  1  0.71  0.71  0.12  1.0
  O  O29  1  0.39  0.51  0.77  1.0
  O  O30  1  0.04  0.2  0.15  1.0
  O  O31  1  0.19  0.65  0.75  1.0
  O  O32  1  0.32  0.95  0.28  1.0
  O  O33  1  0.31  0.32  0.44  1.0
  O  O34  1  0.45  0.58  0.47  1.0
  O  O35  1  0.76  0.41  0.19  1.0
  O  O36  1  0.69  0.16  0.11  1.0
  O  O37  1  0.73  0.2  0.74  1.0
  O  O38  1  0.95  0.2  0.42  1.0
  O  O39  1  0.94  0.66  0.93  1.0
  O  O40  1  0.43  0.46  0.62  1.0
  O  O41  1  0.56  0.57  0.85  1.0
  O  O42  1  0.61  0.67  0.17  1.0
  O  O43  1  0.68  0.99  0.56  1.0
  O  O44  1  0.24  0.03  0.83  1.0

data_Li2Co3(SiO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   8.85
_cell_length_c   13.3
_cell_angle_alpha   108.29
_cell_angle_beta   99.76
_cell_angle_gamma   90.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co3(SiO4)2
_chemical_formula_sum   'Li6 Co9 Si6 O24'
_cell_volume   545.61
_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
  Li  Li0  1  0.21  0.72  0.91  1.0
  Li  Li1  1  0.28  0.66  0.58  1.0
  Li  Li2  1  0.43  0.89  0.54  1.0
  Li  Li3  1  0.46  0.27  0.61  1.0
  Li  Li4  1  0.75  0.52  0.46  1.0
  Li  Li5  1  0.79  0.52  0.15  1.0
  Co  Co6  1  0.07  0.21  0.54  1.0
  Co  Co7  1  0.22  0.78  0.1  1.0
  Co  Co8  1  0.55  0.19  0.24  1.0
  Co  Co9  1  0.59  0.24  0.29  1.0
  Co  Co10  1  0.6  0.8  0.42  1.0
  Co  Co11  1  0.77  0.9  0.36  1.0
  Co  Co12  1  0.86  0.54  0.47  1.0
  Co  Co13  1  0.86  0.36  0.34  1.0
  Co  Co14  1  0.95  0.05  0.7  1.0
  Si  Si15  1  0.09  0.45  0.55  1.0
  Si  Si16  1  0.19  0.16  0.64  1.0
  Si  Si17  1  0.35  0.27  0.09  1.0
  Si  Si18  1  0.46  0.72  0.44  1.0
  Si  Si19  1  0.71  0.12  0.41  1.0
  Si  Si20  1  1.0  0.89  0.59  1.0
  O  O21  1  0.04  0.2  0.15  1.0
  O  O22  1  0.19  0.65  0.75  1.0
  O  O23  1  0.24  0.03  0.83  1.0
  O  O24  1  0.31  0.32  0.44  1.0
  O  O25  1  0.32  0.95  0.28  1.0
  O  O26  1  0.39  0.51  0.77  1.0
  O  O27  1  0.43  0.46  0.62  1.0
  O  O28  1  0.43  0.49  0.42  1.0
  O  O29  1  0.45  0.58  0.47  1.0
  O  O30  1  0.53  0.29  0.42  1.0
  O  O31  1  0.56  0.57  0.85  1.0
  O  O32  1  0.57  0.65  0.95  1.0
  O  O33  1  0.61  0.67  0.17  1.0
  O  O34  1  0.68  0.99  0.56  1.0
  O  O35  1  0.69  0.16  0.11  1.0
  O  O36  1  0.71  0.71  0.12  1.0
  O  O37  1  0.72  0.78  0.47  1.0
  O  O38  1  0.73  0.2  0.74  1.0
  O  O39  1  0.76  0.41  0.19  1.0
  O  O40  1  0.82  0.36  0.34  1.0
  O  O41  1  0.84  0.51  0.69  1.0
  O  O42  1  0.94  0.66  0.93  1.0
  O  O43  1  0.95  0.2  0.42  1.0
  O  O44  1  0.96  0.7  0.28  1.0

Li Li Li Li Li Li Co Co Co Co Co Co Co Co Co Si Si Si Si Si Si O O O O O O O O O O O O O O O O O O O O O O O O
Li Li Li Li Li Li Co Co Co Co Co Co Co Co Co Si Si Si Si Si Si O O O O O O O O O O O O O O O O O O O O O O O O 0 18 o o o 0 43 o o o 1 11 - o o 1 20 o o o 1 34 o o o 1 40 o o o 2 39 - o o 2 7 o o + 2 31 o o o 3 13 o o o 3 16 o o o 3 40 o o o 4 11 o o o 4 20 + o o 5 35 o o o 5 23 o o o 6 10 o o o 6 19 o + o 6 23 o o o 6 32 o o o 7 39 - o - 7 28 - o o 7 28 o o o 7 42 o o o 7 32 o o o 8 9 o o o 8 32 o - o 9 17 o o o 9 32 o - o 9 36 o o o 10 18 o o o 10 22 o o o 10 32 o o o 11 20 + o o 12 21 o o o 13 38 - o o 13 16 o o o 13 20 o o o 14 43 o - o 14 37 o o o 14 15 o - o 14 44 + o o 14 16 + o o 15 22 o o o 15 43 o o o 17 30 o o o 17 36 o o o 17 35 o o o 18 22 o o o 19 38 o o o 19 32 o - o 20 33 o o o 20 40 o o o 20 24 - o o 23 42 o o o 23 28 o o o 23 32 + o o 24 40 o o o 24 31 + o o 25 41 o o o 26 34 o o o 27 33 o o o 28 42 o o o 29 41 o o o 29 31 o o o 29 40 o o o 30 36 - o o 32 42 o o o 35 36 o o o 
Li2Co3(SiO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Si(1), one Si(4), and one O(23) atom. The Li(1)-Si(1) bond length is 2.40 Å. The Li(1)-Si(4) bond length is 1.67 Å. The Li(1)-O(23) bond length is 1.44 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Si(1), one O(14), and one O(20) atom. The Li(2)-Si(1) bond length is 2.51 Å. The Li(2)-O(14) bond length is 1.83 Å. The Li(2)-O(20) bond length is 2.11 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Co(2), one O(11), one O(19), and one O(5) atom. The Li(3)-Co(2) bond length is 2.43 Å. The Li(3)-O(11) bond length is 1.97 Å. The Li(3)-O(19) bond length is 1.52 Å. The Li(3)-O(5) bond length is 1.96 Å. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one Si(2), one O(17), one O(20), and one O(9) atom. The Li(4)-Si(2) bond length is 1.81 Å. The Li(4)-O(17) bond length is 2.20 Å. The Li(4)-O(20) bond length is 1.63 Å. The Li(4)-O(9) bond length is 2.54 Å. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one Co(6), one O(14), and one O(6) atom. The Li(5)-Co(6) bond length is 0.55 Å. The Li(5)-O(14) bond length is 1.61 Å. The Li(5)-O(6) bond length is 1.58 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(15), one O(22), one O(3), and one O(8) atom. The Li(6)-O(15) bond length is 1.22 Å. The Li(6)-O(22) bond length is 1.60 Å. The Li(6)-O(3) bond length is 2.00 Å. The Li(6)-O(8) bond length is 1.89 Å. There are nine inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one O(12) and one O(3) atom. The Co(1)-O(12) bond length is 2.45 Å. The Co(1)-O(3) bond length is 2.09 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Li(3), one O(12), one O(19), one O(22), and two equivalent O(8) atoms. The Co(2)-O(12) bond length is 2.28 Å. The Co(2)-O(19) bond length is 2.40 Å. The Co(2)-O(22) bond length is 2.32 Å. There is one shorter (2.51 Å) and one longer (2.67 Å) Co(2)-O(8) bond length. In the third Co site, Co(3) is bonded in a 3-coordinate geometry to one Co(4), one O(1), and one O(7) atom. The Co(3)-Co(4) bond length is 0.70 Å. The Co(3)-O(1) bond length is 1.47 Å. The Co(3)-O(7) bond length is 1.63 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one Co(3), one O(12), and one O(16) atom. The Co(4)-O(12) bond length is 2.63 Å. The Co(4)-O(16) bond length is 1.95 Å. In the fifth Co site, Co(5) is bonded in a single-bond geometry to one Si(4) and one O(2) atom. The Co(5)-Si(4) bond length is 1.11 Å. The Co(5)-O(2) bond length is 0.97 Å. In the sixth Co site, Co(6) is bonded in a single-bond geometry to one Li(5) atom. In the seventh Co site, Co(7) is bonded in a single-bond geometry to one O(1) atom. The Co(7)-O(1) bond length is 0.21 Å. In the eighth Co site, Co(8) is bonded in a distorted single-bond geometry to one O(18) atom. The Co(8)-O(18) bond length is 1.55 Å. In the ninth Co site, Co(9) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one O(17), one O(23), and one O(24) atom. The Co(9)-Si(1) bond length is 1.70 Å. The Co(9)-Si(2) bond length is 1.92 Å. The Co(9)-O(17) bond length is 1.68 Å. The Co(9)-O(23) bond length is 2.04 Å. The Co(9)-O(24) bond length is 2.08 Å. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Co(9), one O(2), and one O(23) atom. The Si(1)-O(2) bond length is 1.93 Å. The Si(1)-O(23) bond length is 1.86 Å. In the second Si site, Si(2) is bonded in a 1-coordinate geometry to one Li(4) and one Co(9) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one O(10), one O(15), and one O(16) atom. The Si(3)-O(10) bond length is 1.97 Å. The Si(3)-O(15) bond length is 2.34 Å. The Si(3)-O(16) bond length is 1.98 Å. In the fourth Si site, Si(4) is bonded in a 4-coordinate geometry to one Li(1), one Co(5), one O(14), and one O(2) atom. The Si(4)-O(14) bond length is 1.44 Å. The Si(4)-O(2) bond length is 1.35 Å. In the fifth Si site, Si(5) is bonded in a 2-coordinate geometry to one O(18) and one O(7) atom. The Si(5)-O(18) bond length is 1.29 Å. The Si(5)-O(7) bond length is 1.78 Å. In the sixth Si site, Si(6) is bonded in a 1-coordinate geometry to one O(13), one O(20), and one O(4) atom. The Si(6)-O(13) bond length is 2.07 Å. The Si(6)-O(20) bond length is 1.73 Å. The Si(6)-O(4) bond length is 2.32 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Co(3) and one Co(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Co(5), one Si(1), and one Si(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(6) and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Si(6) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(3) and one O(21) atom. The O(5)-O(21) bond length is 1.35 Å. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(5) and one O(14) atom. The O(6)-O(14) bond length is 0.80 Å. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Co(3), one Si(5), and one O(13) atom. The O(7)-O(13) bond length is 1.17 Å. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(6), two equivalent Co(2), and one O(22) atom. The O(8)-O(22) bond length is 1.02 Å. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(4), one O(11), one O(20), and one O(21) atom. The O(9)-O(11) bond length is 1.62 Å. The O(9)-O(20) bond length is 1.89 Å. The O(9)-O(21) bond length is 1.20 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Si(3) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Li(3) and one O(9) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Si(6) and one O(7) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one Si(4), and one O(6) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Li(6) and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Co(4) and one Si(3) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Li(4) and one Co(9) atom. In the eighteenth O site, O(18) is bonded in a distorted water-like geometry to one Co(8) and one Si(5) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Li(3) and one Co(2) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(2), one Li(4), one Si(6), and one O(9) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one O(5) and one O(9) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(6), one Co(2), and one O(8) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Li(1), one Co(9), and one Si(1) atom. In the twenty-fourth O site, O(24) is bonded in a single-bond geometry to one Co(9) atom.