data_Li2Co3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co3SbO8
_chemical_formula_sum   'Li4 Co6 Sb2 O16'
_cell_volume   270.15
_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  0.88  0.66  0.73  1.0
  Li  Li1  1  0.0  0.0  0.65  1.0
  Li  Li2  1  0.0  0.0  0.34  1.0
  Li  Li3  1  0.0  0.33  0.42  1.0
  Co  Co4  1  0.47  0.85  0.71  1.0
  Co  Co5  1  0.29  0.85  0.71  1.0
  Co  Co6  1  0.88  0.29  0.71  1.0
  Co  Co7  1  0.0  0.7  0.02  1.0
  Co  Co8  1  0.59  0.14  0.02  1.0
  Co  Co9  1  0.41  0.14  0.02  1.0
  Sb  Sb10  1  0.88  0.66  0.3  1.0
  Sb  Sb11  1  0.0  0.33  0.61  1.0
  O  O12  1  0.39  0.8  0.93  1.0
  O  O13  1  0.88  0.17  0.85  1.0
  O  O14  1  0.88  0.66  0.75  1.0
  O  O15  1  0.0  0.0  0.58  1.0
  O  O16  1  0.0  0.0  0.88  1.0
  O  O17  1  0.37  0.8  0.93  1.0
  O  O18  1  0.59  0.41  0.85  1.0
  O  O19  1  0.17  0.41  0.85  1.0
  O  O20  1  0.0  0.61  0.63  1.0
  O  O21  1  0.88  0.38  0.93  1.0
  O  O22  1  0.71  0.58  0.16  1.0
  O  O23  1  0.29  0.58  0.16  1.0
  O  O24  1  0.0  0.33  0.06  1.0
  O  O25  1  0.51  0.19  0.63  1.0
  O  O26  1  0.0  0.82  0.16  1.0
  O  O27  1  0.49  0.19  0.63  1.0

data_Li2Co3SbO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co3SbO8
_chemical_formula_sum   'Li4 Co6 Sb2 O16'
_cell_volume   270.15
_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  0.0  0.0  0.34  1.0
  Li  Li1  1  0.0  0.0  0.65  1.0
  Li  Li2  1  0.0  0.33  0.42  1.0
  Li  Li3  1  0.88  0.66  0.73  1.0
  Co  Co4  1  0.0  0.7  0.02  1.0
  Co  Co5  1  0.29  0.85  0.71  1.0
  Co  Co6  1  0.41  0.14  0.02  1.0
  Co  Co7  1  0.47  0.85  0.71  1.0
  Co  Co8  1  0.59  0.14  0.02  1.0
  Co  Co9  1  0.88  0.29  0.71  1.0
  Sb  Sb10  1  0.0  0.33  0.61  1.0
  Sb  Sb11  1  0.88  0.66  0.3  1.0
  O  O12  1  0.0  0.0  0.58  1.0
  O  O13  1  0.0  0.0  0.88  1.0
  O  O14  1  0.0  0.33  0.06  1.0
  O  O15  1  0.0  0.61  0.63  1.0
  O  O16  1  0.0  0.82  0.16  1.0
  O  O17  1  0.17  0.41  0.85  1.0
  O  O18  1  0.29  0.58  0.16  1.0
  O  O19  1  0.37  0.8  0.93  1.0
  O  O20  1  0.39  0.8  0.93  1.0
  O  O21  1  0.49  0.19  0.63  1.0
  O  O22  1  0.51  0.19  0.63  1.0
  O  O23  1  0.59  0.41  0.85  1.0
  O  O24  1  0.71  0.58  0.16  1.0
  O  O25  1  0.88  0.17  0.85  1.0
  O  O26  1  0.88  0.38  0.93  1.0
  O  O27  1  0.88  0.66  0.75  1.0

Li Li Li Li Co Co Co Co Co Co Sb Sb O O O O O O O O O O O O O O O O
Li Li Li Li Co Co Co Co Co Co Sb Sb O O O O O O O O O O O O O O O O 0 14 o o o 0 18 o o o 0 20 + o o 1 15 o o o 2 3 o o o 2 26 o - o 2 10 - - o 3 11 o o o 4 5 o o o 6 11 + o o 6 13 o o o 6 19 + o o 7 26 o o o 8 9 o o o 8 18 o o - 8 21 o o - 9 18 o o - 10 22 o o o 10 26 + o o 11 20 o o o 12 17 o o o 13 21 o o o 13 16 + o o 13 19 + o o 14 18 o o o 14 20 + o o 18 21 o o o 19 21 - o o 21 24 + o + 22 26 + o o 23 24 o o o 25 27 o o o 
Li2Co3SbO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one O(3) and one O(9) atom. The Li(1)-O(3) bond length is 0.20 Å. The Li(1)-O(9) bond length is 1.32 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Co(1), one O(16), one O(4), and one O(5) atom. The Li(2)-Co(1) bond length is 2.79 Å. The Li(2)-O(16) bond length is 2.47 Å. The Li(2)-O(4) bond length is 0.64 Å. The Li(2)-O(5) bond length is 2.23 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Sb(1), one O(15), and one O(4) atom. The Li(3)-Sb(1) bond length is 1.74 Å. The Li(3)-O(15) bond length is 2.01 Å. The Li(3)-O(4) bond length is 2.23 Å. In the fourth Li site, Li(4) is bonded in a distorted single-bond geometry to one Sb(1) and one Sb(2) atom. The Li(4)-Sb(1) bond length is 2.63 Å. The Li(4)-Sb(2) bond length is 1.70 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Li(2), one Co(2), one O(1), one O(14), one O(2), and one O(8) atom. The Co(1)-Co(2) bond length is 1.04 Å. The Co(1)-O(1) bond length is 2.08 Å. The Co(1)-O(14) bond length is 2.02 Å. The Co(1)-O(2) bond length is 2.51 Å. The Co(1)-O(8) bond length is 2.58 Å. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one Co(1), one O(16), one O(6), and one O(9) atom. The Co(2)-O(16) bond length is 1.88 Å. The Co(2)-O(6) bond length is 2.13 Å. The Co(2)-O(9) bond length is 1.76 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Sb(2), one O(14), one O(2), and one O(8) atom. The Co(3)-Sb(2) bond length is 1.19 Å. The Co(3)-O(14) bond length is 2.08 Å. The Co(3)-O(2) bond length is 1.46 Å. The Co(3)-O(8) bond length is 1.95 Å. In the fourth Co site, Co(4) is bonded in a 1-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(15), and one O(5) atom. The Co(4)-O(10) bond length is 1.81 Å. The Co(4)-O(11) bond length is 1.95 Å. The Co(4)-O(12) bond length is 2.47 Å. The Co(4)-O(13) bond length is 2.17 Å. The Co(4)-O(15) bond length is 1.46 Å. The Co(4)-O(5) bond length is 2.16 Å. In the fifth Co site, Co(5) is bonded in a 8-coordinate geometry to one Co(6), one O(1), one O(10), one O(11), one O(13), one O(2), one O(6), and one O(7) atom. The Co(5)-Co(6) bond length is 1.04 Å. The Co(5)-O(1) bond length is 1.88 Å. The Co(5)-O(10) bond length is 1.76 Å. The Co(5)-O(11) bond length is 2.61 Å. The Co(5)-O(13) bond length is 2.08 Å. The Co(5)-O(2) bond length is 2.26 Å. The Co(5)-O(6) bond length is 1.90 Å. The Co(5)-O(7) bond length is 2.21 Å. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one Co(5), one O(11), one O(15), one O(5), one O(6), and one O(7) atom. The Co(6)-O(11) bond length is 2.58 Å. The Co(6)-O(15) bond length is 2.51 Å. The Co(6)-O(5) bond length is 2.44 Å. The Co(6)-O(6) bond length is 2.02 Å. The Co(6)-O(7) bond length is 2.09 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one O(11), and one O(15) atom. The Sb(1)-O(11) bond length is 1.60 Å. The Sb(1)-O(15) bond length is 1.56 Å. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one O(9) atom. The Sb(2)-O(9) bond length is 1.64 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Co(1), one Co(5), and one O(6) atom. The O(1)-O(6) bond length is 0.14 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Co(1), one Co(3), one Co(5), one O(5), and one O(8) atom. The O(2)-O(5) bond length is 1.49 Å. The O(2)-O(8) bond length is 1.55 Å. In the third O site, O(3) is bonded in a single-bond geometry to one Li(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Li(2) and one Li(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Co(4), one Co(6), and one O(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Co(2), one Co(5), one Co(6), and one O(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Co(5) and one Co(6) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Co(1), one Co(3), and one O(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one Li(1), one Co(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Co(4), one Co(5), and one O(13) atom. The O(10)-O(13) bond length is 1.47 Å. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Co(4), one Co(5), one Co(6), one Sb(1), and one O(15) atom. The O(11)-O(15) bond length is 1.55 Å. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Co(4) and one O(13) atom. The O(12)-O(13) bond length is 1.84 Å. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Co(4), one Co(5), one O(10), and one O(12) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Co(1), one Co(3), and one O(16) atom. The O(14)-O(16) bond length is 0.14 Å. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(3), one Co(4), one Co(6), one Sb(1), and one O(11) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one O(14) atom.