The material described by Li3Sb3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(15), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Sb(3)O5 square pyramid. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(16), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-80°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(3), one O(7), and one O(9) atom. In the second Sb site, Sb(2) is bonded to one O(10), one O(11), one O(16), one O(2), one O(5), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Sb(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to one O(1), one O(14), one O(3), one O(4), and one O(8) atom to form distorted SbO5 square pyramids that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 71°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Sb(3)O5 square pyramids, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 23°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  an edgeedge with one Sb(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(16) atom to form PO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with two equivalent Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 43-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Sb(2), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sb(1), one Sb(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Sb(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Sb(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Sb(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Sb(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Sb(2), and one P(4) atom. is represented by the CIF file [CIF]
data_Li3Sb3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.086
_cell_length_b   7.867
_cell_length_c   10.517
_cell_angle_alpha   87.390
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   751.007
_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  0.623  0.150  0.156  1.0
  Li  Li1  1  0.123  0.850  0.844  1.0
  Li  Li2  1  0.877  0.623  0.415  1.0
  Li  Li3  1  0.882  0.649  0.906  1.0
  Li  Li4  1  0.377  0.377  0.585  1.0
  Li  Li5  1  0.382  0.351  0.094  1.0
  Sb  Sb6  1  0.035  0.268  0.630  1.0
  Sb  Sb7  1  0.997  0.265  0.114  1.0
  Sb  Sb8  1  0.636  0.126  0.668  1.0
  Sb  Sb9  1  0.136  0.874  0.332  1.0
  Sb  Sb10  1  0.535  0.732  0.370  1.0
  Sb  Sb11  1  0.497  0.735  0.886  1.0
  P  P12  1  0.796  0.034  0.389  1.0
  P  P13  1  0.804  0.036  0.905  1.0
  P  P14  1  0.296  0.966  0.611  1.0
  P  P15  1  0.304  0.964  0.095  1.0
  P  P16  1  0.710  0.547  0.638  1.0
  P  P17  1  0.691  0.542  0.139  1.0
  P  P18  1  0.191  0.458  0.861  1.0
  P  P19  1  0.210  0.453  0.362  1.0
  O  O20  1  0.820  0.176  0.790  1.0
  O  O21  1  0.857  0.164  0.291  1.0
  O  O22  1  0.790  0.125  0.521  1.0
  O  O23  1  0.390  0.129  0.591  1.0
  O  O24  1  0.814  0.130  0.033  1.0
  O  O25  1  0.419  0.103  0.104  1.0
  O  O26  1  0.135  0.017  0.651  1.0
  O  O27  1  0.641  0.976  0.888  1.0
  O  O28  1  0.141  0.024  0.112  1.0
  O  O29  1  0.635  0.983  0.349  1.0
  O  O30  1  0.890  0.871  0.409  1.0
  O  O31  1  0.290  0.875  0.479  1.0
  O  O32  1  0.919  0.897  0.896  1.0
  O  O33  1  0.357  0.836  0.709  1.0
  O  O34  1  0.314  0.870  0.968  1.0
  O  O35  1  0.320  0.824  0.210  1.0
  O  O36  1  0.636  0.688  0.547  1.0
  O  O37  1  0.721  0.608  0.773  1.0
  O  O38  1  0.623  0.696  0.060  1.0
  O  O39  1  0.087  0.610  0.856  1.0
  O  O40  1  0.713  0.607  0.281  1.0
  O  O41  1  0.098  0.613  0.363  1.0
  O  O42  1  0.358  0.500  0.422  1.0
  O  O43  1  0.858  0.500  0.578  1.0
  O  O44  1  0.347  0.494  0.915  1.0
  O  O45  1  0.847  0.506  0.085  1.0
  O  O46  1  0.598  0.387  0.637  1.0
  O  O47  1  0.213  0.393  0.719  1.0
  O  O48  1  0.587  0.390  0.144  1.0
  O  O49  1  0.221  0.392  0.227  1.0
  O  O50  1  0.136  0.312  0.453  1.0
  O  O51  1  0.123  0.304  0.940  1.0
[/CIF]
.
The material described by Li3Sb3(PO4)4 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(5), one O(6), and one O(7) atom. In the second Li site, Li(2) is bonded to one O(13), one O(14), one O(15), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Sb(3)O5 square pyramid. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(16), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 66-80°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(3), one O(7), and one O(9) atom. In the second Sb site, Sb(2) is bonded to one O(10), one O(11), one O(16), one O(2), one O(5), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Sb(3)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the third Sb site, Sb(3) is bonded to one O(1), one O(14), one O(3), one O(4), and one O(8) atom to form distorted SbO5 square pyramids that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 71°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Sb(3)O5 square pyramids, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 23°. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra, and  an edgeedge with one Sb(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(13), and one O(16) atom to form PO4 tetrahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with two equivalent Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 43-50°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one Sb(2), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sb(1), one Sb(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Sb(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(1), one Li(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Sb(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(2), one Sb(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(2), one Sb(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Sb(2), and one P(4) atom. is represented by the CIF file [CIF]
data_Li3Sb3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.086
_cell_length_b   7.867
_cell_length_c   10.517
_cell_angle_alpha   87.390
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   751.007
_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  0.623  0.150  0.156  1.0
  Li  Li1  1  0.123  0.850  0.844  1.0
  Li  Li2  1  0.877  0.623  0.415  1.0
  Li  Li3  1  0.882  0.649  0.906  1.0
  Li  Li4  1  0.377  0.377  0.585  1.0
  Li  Li5  1  0.382  0.351  0.094  1.0
  Sb  Sb6  1  0.035  0.268  0.630  1.0
  Sb  Sb7  1  0.997  0.265  0.114  1.0
  Sb  Sb8  1  0.636  0.126  0.668  1.0
  Sb  Sb9  1  0.136  0.874  0.332  1.0
  Sb  Sb10  1  0.535  0.732  0.370  1.0
  Sb  Sb11  1  0.497  0.735  0.886  1.0
  P  P12  1  0.796  0.034  0.389  1.0
  P  P13  1  0.804  0.036  0.905  1.0
  P  P14  1  0.296  0.966  0.611  1.0
  P  P15  1  0.304  0.964  0.095  1.0
  P  P16  1  0.710  0.547  0.638  1.0
  P  P17  1  0.691  0.542  0.139  1.0
  P  P18  1  0.191  0.458  0.861  1.0
  P  P19  1  0.210  0.453  0.362  1.0
  O  O20  1  0.820  0.176  0.790  1.0
  O  O21  1  0.857  0.164  0.291  1.0
  O  O22  1  0.790  0.125  0.521  1.0
  O  O23  1  0.390  0.129  0.591  1.0
  O  O24  1  0.814  0.130  0.033  1.0
  O  O25  1  0.419  0.103  0.104  1.0
  O  O26  1  0.135  0.017  0.651  1.0
  O  O27  1  0.641  0.976  0.888  1.0
  O  O28  1  0.141  0.024  0.112  1.0
  O  O29  1  0.635  0.983  0.349  1.0
  O  O30  1  0.890  0.871  0.409  1.0
  O  O31  1  0.290  0.875  0.479  1.0
  O  O32  1  0.919  0.897  0.896  1.0
  O  O33  1  0.357  0.836  0.709  1.0
  O  O34  1  0.314  0.870  0.968  1.0
  O  O35  1  0.320  0.824  0.210  1.0
  O  O36  1  0.636  0.688  0.547  1.0
  O  O37  1  0.721  0.608  0.773  1.0
  O  O38  1  0.623  0.696  0.060  1.0
  O  O39  1  0.087  0.610  0.856  1.0
  O  O40  1  0.713  0.607  0.281  1.0
  O  O41  1  0.098  0.613  0.363  1.0
  O  O42  1  0.358  0.500  0.422  1.0
  O  O43  1  0.858  0.500  0.578  1.0
  O  O44  1  0.347  0.494  0.915  1.0
  O  O45  1  0.847  0.506  0.085  1.0
  O  O46  1  0.598  0.387  0.637  1.0
  O  O47  1  0.213  0.393  0.719  1.0
  O  O48  1  0.587  0.390  0.144  1.0
  O  O49  1  0.221  0.392  0.227  1.0
  O  O50  1  0.136  0.312  0.453  1.0
  O  O51  1  0.123  0.304  0.940  1.0
[/CIF]
.