data_Li5Fe3Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.92
_cell_length_c   8.94
_cell_angle_alpha   119.86
_cell_angle_beta   118.79
_cell_angle_gamma   90.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe3Sb2(PO4)6
_chemical_formula_sum   'Li5 Fe3 Sb2 P6 O24'
_cell_volume   505.78
_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  0.45  0.49  0.47  1.0
  Li  Li1  1  0.61  0.76  0.2  1.0
  Li  Li2  1  0.53  0.96  0.4  1.0
  Li  Li3  1  0.08  0.73  0.94  1.0
  Li  Li4  1  0.12  0.97  0.35  1.0
  Fe  Fe5  1  0.73  0.51  0.41  1.0
  Fe  Fe6  1  0.12  0.4  0.06  1.0
  Fe  Fe7  1  0.46  0.97  0.43  1.0
  Sb  Sb8  1  0.98  0.05  0.19  1.0
  Sb  Sb9  1  0.75  0.47  0.16  1.0
  P  P10  1  0.13  0.32  0.09  1.0
  P  P11  1  0.7  0.28  0.18  1.0
  P  P12  1  0.32  0.24  0.15  1.0
  P  P13  1  0.96  0.14  0.12  1.0
  P  P14  1  0.52  0.19  1.0  1.0
  P  P15  1  0.32  0.13  0.35  1.0
  O  O16  1  0.97  0.78  0.2  1.0
  O  O17  1  0.76  0.25  0.57  1.0
  O  O18  1  0.14  0.91  0.12  1.0
  O  O19  1  0.65  0.4  0.75  1.0
  O  O20  1  0.35  0.81  0.89  1.0
  O  O21  1  0.33  0.84  0.39  1.0
  O  O22  1  0.11  0.19  0.35  1.0
  O  O23  1  0.82  0.89  0.03  1.0
  O  O24  1  0.97  0.22  0.84  1.0
  O  O25  1  0.99  0.14  0.14  1.0
  O  O26  1  0.67  0.89  0.88  1.0
  O  O27  1  0.97  0.67  0.83  1.0
  O  O28  1  0.21  1.0  0.19  1.0
  O  O29  1  0.65  0.26  0.19  1.0
  O  O30  1  0.52  0.3  0.06  1.0
  O  O31  1  0.34  0.01  0.29  1.0
  O  O32  1  0.5  0.72  0.5  1.0
  O  O33  1  0.78  0.04  0.15  1.0
  O  O34  1  0.27  0.34  0.14  1.0
  O  O35  1  0.05  0.58  0.65  1.0
  O  O36  1  0.49  0.86  0.42  1.0
  O  O37  1  0.09  0.53  0.41  1.0
  O  O38  1  0.42  0.13  0.88  1.0
  O  O39  1  0.58  0.87  0.16  1.0

data_Li5Fe3Sb2(PO4)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.82
_cell_length_b   8.92
_cell_length_c   8.94
_cell_angle_alpha   119.86
_cell_angle_beta   118.79
_cell_angle_gamma   90.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe3Sb2(PO4)6
_chemical_formula_sum   'Li5 Fe3 Sb2 P6 O24'
_cell_volume   505.78
_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  0.08  0.73  0.94  1.0
  Li  Li1  1  0.12  0.97  0.35  1.0
  Li  Li2  1  0.45  0.49  0.47  1.0
  Li  Li3  1  0.53  0.96  0.4  1.0
  Li  Li4  1  0.61  0.76  0.2  1.0
  Fe  Fe5  1  0.12  0.4  0.06  1.0
  Fe  Fe6  1  0.46  0.97  0.43  1.0
  Fe  Fe7  1  0.73  0.51  0.41  1.0
  Sb  Sb8  1  0.75  0.47  0.16  1.0
  Sb  Sb9  1  0.98  0.05  0.19  1.0
  P  P10  1  0.13  0.32  0.09  1.0
  P  P11  1  0.32  0.24  0.15  1.0
  P  P12  1  0.32  0.13  0.35  1.0
  P  P13  1  0.52  0.19  1.0  1.0
  P  P14  1  0.7  0.28  0.18  1.0
  P  P15  1  0.96  0.14  0.12  1.0
  O  O16  1  0.05  0.58  0.65  1.0
  O  O17  1  0.09  0.53  0.41  1.0
  O  O18  1  0.11  0.19  0.35  1.0
  O  O19  1  0.14  0.91  0.12  1.0
  O  O20  1  0.21  1.0  0.19  1.0
  O  O21  1  0.27  0.34  0.14  1.0
  O  O22  1  0.33  0.84  0.39  1.0
  O  O23  1  0.34  0.01  0.29  1.0
  O  O24  1  0.35  0.81  0.89  1.0
  O  O25  1  0.42  0.13  0.88  1.0
  O  O26  1  0.49  0.86  0.42  1.0
  O  O27  1  0.5  0.72  0.5  1.0
  O  O28  1  0.52  0.3  0.06  1.0
  O  O29  1  0.58  0.87  0.16  1.0
  O  O30  1  0.65  0.26  0.19  1.0
  O  O31  1  0.65  0.4  0.75  1.0
  O  O32  1  0.67  0.89  0.88  1.0
  O  O33  1  0.76  0.25  0.57  1.0
  O  O34  1  0.78  0.04  0.15  1.0
  O  O35  1  0.82  0.89  0.03  1.0
  O  O36  1  0.97  0.67  0.83  1.0
  O  O37  1  0.97  0.78  0.2  1.0
  O  O38  1  0.97  0.22  0.84  1.0
  O  O39  1  0.99  0.14  0.14  1.0

Li Li Li Li Li Fe Fe Fe Sb Sb P P P P P P 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 Fe Fe Fe Sb Sb P P P P P P 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 34 o o o 0 12 o o o 0 32 o o o 0 37 o o o 1 39 o o o 2 7 o o o 2 17 o + o 2 36 o o o 3 27 - o o 3 35 o o o 4 16 - o o 5 30 o o o 5 29 o o o 5 11 o o o 5 9 o o o 6 10 o o o 6 24 - o - 6 37 o o o 7 21 o o o 7 36 o o o 8 25 o o o 8 13 o o o 8 22 + o o 8 23 o - o 8 33 o o o 9 30 o o o 9 29 o o o 9 11 o o o 9 37 + o o 10 24 - o - 10 34 o o o 10 37 o o o 11 29 o o o 12 34 o o o 13 25 o o o 13 37 + o o 14 38 o o o 14 30 o o + 15 31 o o o 17 19 o o o 17 24 o o o 18 28 o o o 20 35 o o o 20 39 o o + 20 37 o o o 21 36 o o o 21 32 o o o 22 25 - o o 22 37 o o o 23 26 o o - 23 33 o + o 25 37 + o o 27 35 + o o 28 31 o + o 32 36 o o o 35 37 o o o 
(LiFeP2O3)2(Li4Fe2Sb(PO5)3)2(SbOPO4)2O2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one water atom, one Li4Fe2Sb(PO5)3 cluster, one LiFeP2O3 cluster, and one SbOPO4 cluster. In the Li4Fe2Sb(PO5)3 cluster, there are four inequivalent Li sites. In the first Li site, Li(2) is bonded in a single-bond geometry to one Sb(2) and one O(24) atom. The Li(2)-Sb(2) bond length is 2.79 Å. The Li(2)-O(24) bond length is 1.22 Å. In the second Li site, Li(3) is bonded in a 2-coordinate geometry to one Fe(3), one O(2), and one O(21) atom. The Li(3)-Fe(3) bond length is 0.75 Å. The Li(3)-O(2) bond length is 2.49 Å. The Li(3)-O(21) bond length is 1.05 Å. In the third Li site, Li(4) is bonded in a distorted bent 120 degrees geometry to one O(12), one O(20), and one O(3) atom. The Li(4)-O(12) bond length is 0.85 Å. The Li(4)-O(20) bond length is 2.13 Å. The Li(4)-O(3) bond length is 1.40 Å. In the fourth Li site, Li(5) is bonded in a 1-coordinate geometry to one O(1) and one O(6) atom. The Li(5)-O(1) bond length is 1.51 Å. The Li(5)-O(6) bond length is 2.23 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Sb(2), one O(14), and one O(20) atom. The Fe(1)-Sb(2) bond length is 2.18 Å. The Fe(1)-O(14) bond length is 1.92 Å. The Fe(1)-O(20) bond length is 2.45 Å. In the second Fe site, Fe(3) is bonded in a 4-coordinate geometry to one Li(3), one O(16), one O(21), and one O(6) atom. The Fe(3)-O(16) bond length is 1.41 Å. The Fe(3)-O(21) bond length is 0.96 Å. The Fe(3)-O(6) bond length is 1.38 Å. Sb(2) is bonded in a 5-coordinate geometry to one Li(2), one Fe(1), one P(2), one O(15), and one O(22) atom. The Sb(2)-P(2) bond length is 1.92 Å. The Sb(2)-O(15) bond length is 2.04 Å. The Sb(2)-O(22) bond length is 2.61 Å. There are three inequivalent P sites. In the first P site, P(2) is bonded in a single-bond geometry to one Sb(2) and one O(14) atom. The P(2)-O(14) bond length is 0.52 Å. In the second P site, P(5) is bonded in a 3-coordinate geometry to one O(14), one O(15), and one O(23) atom. The P(5)-O(14) bond length is 1.30 Å. The P(5)-O(15) bond length is 0.91 Å. The P(5)-O(23) bond length is 0.83 Å. In the third P site, P(6) is bonded in a 2-coordinate geometry to one O(13) and one O(16) atom. The P(6)-O(13) bond length is 1.20 Å. The P(6)-O(16) bond length is 0.98 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Li(5) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Li(3) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Li(4) and one O(13) atom. The O(3)-O(13) bond length is 0.72 Å. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one O(24) atom. The O(5)-O(24) bond length is 2.04 Å. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Li(5), one Fe(3), and one O(21) atom. The O(6)-O(21) bond length is 1.23 Å. In the sixth O site, O(12) is bonded in a single-bond geometry to one Li(4) and one O(20) atom. The O(12)-O(20) bond length is 1.89 Å. In the seventh O site, O(13) is bonded in a 3-coordinate geometry to one P(6), one O(16), and one O(3) atom. The O(13)-O(16) bond length is 1.02 Å. In the eighth O site, O(14) is bonded in a single-bond geometry to one Fe(1), one P(2), and one P(5) atom. In the ninth O site, O(15) is bonded in a single-bond geometry to one Sb(2) and one P(5) atom. In the tenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Fe(3), one P(6), and one O(13) atom. In the eleventh O site, O(20) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one O(12) atom. In the twelfth O site, O(21) is bonded in a 2-coordinate geometry to one Li(3), one Fe(3), and one O(6) atom. In the thirteenth O site, O(22) is bonded in a single-bond geometry to one Sb(2) atom. In the fourteenth O site, O(23) is bonded in a single-bond geometry to one P(5) atom. In the fifteenth O site, O(24) is bonded in a distorted single-bond geometry to one Li(2) and one O(5) atom. In the LiFeP2O3 cluster, Li(1) is bonded in a 2-coordinate geometry to one O(17) and one O(19) atom. The Li(1)-O(17) bond length is 1.94 Å. The Li(1)-O(19) bond length is 2.12 Å. Fe(2) is bonded in a distorted single-bond geometry to one P(1) and one O(9) atom. The Fe(2)-P(1) bond length is 0.86 Å. The Fe(2)-O(9) bond length is 1.55 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted L-shaped geometry to one Fe(2), one O(19), and one O(9) atom. The P(1)-O(19) bond length is 1.06 Å. The P(1)-O(9) bond length is 1.63 Å. In the second P site, P(3) is bonded in a single-bond geometry to one O(19) atom. The P(3)-O(19) bond length is 1.03 Å. There are three inequivalent O sites. In the first O site, O(17) is bonded in a single-bond geometry to one Li(1) atom. In the second O site, O(19) is bonded in a distorted bent 120 degrees geometry to one Li(1), one P(1), and one P(3) atom. In the third O site, O(9) is bonded in a 2-coordinate geometry to one Fe(2) and one P(1) atom. In the SbOPO4 cluster, Sb(1) is bonded in a 3-coordinate geometry to one O(10), one O(18), one O(7), and one O(8) atom. The Sb(1)-O(10) bond length is 1.10 Å. The Sb(1)-O(18) bond length is 1.57 Å. The Sb(1)-O(7) bond length is 1.25 Å. The Sb(1)-O(8) bond length is 1.43 Å. P(4) is bonded in a single-bond geometry to one O(10) and one O(11) atom. The P(4)-O(10) bond length is 0.28 Å. The P(4)-O(11) bond length is 2.42 Å. There are five inequivalent O sites. In the first O site, O(18) is bonded in a 1-coordinate geometry to one Sb(1) and one O(11) atom. The O(18)-O(11) bond length is 1.77 Å. In the second O site, O(7) is bonded in a distorted single-bond geometry to one Sb(1) atom. In the third O site, O(8) is bonded in a distorted single-bond geometry to one Sb(1) and one O(11) atom. The O(8)-O(11) bond length is 1.32 Å. In the fourth O site, O(10) is bonded in a distorted single-bond geometry to one Sb(1) and one P(4) atom. In the fifth O site, O(11) is bonded in a 3-coordinate geometry to one P(4), one O(18), and one O(8) atom.