The crystal structure 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 to one O(1), one O(12), one O(2), one O(3), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Sb(1)O5 square pyramid, corners with two equivalent Sb(2)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(3), one O(4), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Sb(2)O5 square pyramid, corners with two equivalent Sb(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(16), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sb(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(14), one O(2), one O(5), and one O(9) atom to form SbO5 square pyramids that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the second Sb site, Sb(2) is bonded to one O(12), one O(16), one O(4), one O(7), and one O(8) atom to form SbO5 square pyramids that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(15), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O5 square pyramid,  a cornercorner with one Sb(2)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Sb(1)O5 square pyramid,  a cornercorner with one Sb(2)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(12), one O(13), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O5 square pyramid, corners with two equivalent Sb(2)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O5 square pyramid, corners with two equivalent Sb(1)O5 square pyramids, corners with two equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), one Sb(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Sb(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Sb(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Sb(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Sb(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Sb(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sb(1), one Sb(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Li(3), one Sb(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.309
_cell_length_b   6.787
_cell_length_c   9.122
_cell_angle_alpha   75.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   676.435
_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  0.596  0.675  0.084  1.0
  Li  Li1  1  0.890  0.180  0.080  1.0
  Li  Li2  1  0.199  0.082  0.348  1.0
  Li  Li3  1  0.699  0.918  0.652  1.0
  Li  Li4  1  0.096  0.325  0.916  1.0
  Li  Li5  1  0.390  0.820  0.920  1.0
  Sb  Sb6  1  0.887  0.610  0.262  1.0
  Sb  Sb7  1  0.612  0.082  0.292  1.0
  Sb  Sb8  1  0.318  0.635  0.325  1.0
  Sb  Sb9  1  0.818  0.365  0.675  1.0
  Sb  Sb10  1  0.387  0.390  0.738  1.0
  Sb  Sb11  1  0.112  0.918  0.708  1.0
  P  P12  1  0.369  0.356  0.114  1.0
  P  P13  1  0.117  0.865  0.083  1.0
  P  P14  1  0.597  0.520  0.406  1.0
  P  P15  1  0.915  0.084  0.390  1.0
  P  P16  1  0.097  0.480  0.594  1.0
  P  P17  1  0.415  0.916  0.610  1.0
  P  P18  1  0.869  0.644  0.886  1.0
  P  P19  1  0.617  0.135  0.917  1.0
  O  O20  1  0.435  0.561  0.079  1.0
  O  O21  1  0.807  0.683  0.028  1.0
  O  O22  1  0.044  0.058  0.035  1.0
  O  O23  1  0.693  0.176  0.048  1.0
  O  O24  1  0.041  0.666  0.148  1.0
  O  O25  1  0.271  0.370  0.236  1.0
  O  O26  1  0.449  0.168  0.191  1.0
  O  O27  1  0.639  0.391  0.296  1.0
  O  O28  1  0.933  0.296  0.270  1.0
  O  O29  1  0.201  0.876  0.219  1.0
  O  O30  1  0.875  0.941  0.290  1.0
  O  O31  1  0.579  0.734  0.297  1.0
  O  O32  1  0.196  0.474  0.477  1.0
  O  O33  1  0.481  0.436  0.490  1.0
  O  O34  1  0.318  0.902  0.493  1.0
  O  O35  1  0.981  0.564  0.510  1.0
  O  O36  1  0.038  0.016  0.466  1.0
  O  O37  1  0.696  0.526  0.523  1.0
  O  O38  1  0.538  0.984  0.534  1.0
  O  O39  1  0.818  0.098  0.507  1.0
  O  O40  1  0.433  0.704  0.730  1.0
  O  O41  1  0.139  0.609  0.704  1.0
  O  O42  1  0.771  0.630  0.764  1.0
  O  O43  1  0.079  0.266  0.703  1.0
  O  O44  1  0.375  0.059  0.710  1.0
  O  O45  1  0.541  0.334  0.852  1.0
  O  O46  1  0.701  0.124  0.781  1.0
  O  O47  1  0.949  0.832  0.809  1.0
  O  O48  1  0.307  0.317  0.972  1.0
  O  O49  1  0.935  0.439  0.921  1.0
  O  O50  1  0.193  0.824  0.952  1.0
  O  O51  1  0.544  0.942  0.965  1.0
[/CIF]
.
The crystal structure 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 to one O(1), one O(12), one O(2), one O(3), and one O(8) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Sb(1)O5 square pyramid, corners with two equivalent Sb(2)O5 square pyramids,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(3), one O(4), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Sb(2)O5 square pyramid, corners with two equivalent Sb(1)O5 square pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one P(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(16), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sb(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(11), one O(14), one O(2), one O(5), and one O(9) atom to form SbO5 square pyramids that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the second Sb site, Sb(2) is bonded to one O(12), one O(16), one O(4), one O(7), and one O(8) atom to form SbO5 square pyramids that share corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(15), and one O(6) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O5 square pyramid,  a cornercorner with one Sb(2)O5 square pyramid, corners with two equivalent Li(1)O5 square pyramids,  a cornercorner with one Li(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Sb(1)O5 square pyramid,  a cornercorner with one Sb(2)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(12), one O(13), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O5 square pyramid, corners with two equivalent Sb(2)O5 square pyramids, and  an edgeedge with one Li(1)O5 square pyramid. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sb(2)O5 square pyramid, corners with two equivalent Sb(1)O5 square pyramids, corners with two equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), one Sb(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Sb(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Sb(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Sb(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Sb(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Sb(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sb(3) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sb(1), one Sb(3), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Li(3), one Sb(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Sb3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.309
_cell_length_b   6.787
_cell_length_c   9.122
_cell_angle_alpha   75.052
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   676.435
_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  0.596  0.675  0.084  1.0
  Li  Li1  1  0.890  0.180  0.080  1.0
  Li  Li2  1  0.199  0.082  0.348  1.0
  Li  Li3  1  0.699  0.918  0.652  1.0
  Li  Li4  1  0.096  0.325  0.916  1.0
  Li  Li5  1  0.390  0.820  0.920  1.0
  Sb  Sb6  1  0.887  0.610  0.262  1.0
  Sb  Sb7  1  0.612  0.082  0.292  1.0
  Sb  Sb8  1  0.318  0.635  0.325  1.0
  Sb  Sb9  1  0.818  0.365  0.675  1.0
  Sb  Sb10  1  0.387  0.390  0.738  1.0
  Sb  Sb11  1  0.112  0.918  0.708  1.0
  P  P12  1  0.369  0.356  0.114  1.0
  P  P13  1  0.117  0.865  0.083  1.0
  P  P14  1  0.597  0.520  0.406  1.0
  P  P15  1  0.915  0.084  0.390  1.0
  P  P16  1  0.097  0.480  0.594  1.0
  P  P17  1  0.415  0.916  0.610  1.0
  P  P18  1  0.869  0.644  0.886  1.0
  P  P19  1  0.617  0.135  0.917  1.0
  O  O20  1  0.435  0.561  0.079  1.0
  O  O21  1  0.807  0.683  0.028  1.0
  O  O22  1  0.044  0.058  0.035  1.0
  O  O23  1  0.693  0.176  0.048  1.0
  O  O24  1  0.041  0.666  0.148  1.0
  O  O25  1  0.271  0.370  0.236  1.0
  O  O26  1  0.449  0.168  0.191  1.0
  O  O27  1  0.639  0.391  0.296  1.0
  O  O28  1  0.933  0.296  0.270  1.0
  O  O29  1  0.201  0.876  0.219  1.0
  O  O30  1  0.875  0.941  0.290  1.0
  O  O31  1  0.579  0.734  0.297  1.0
  O  O32  1  0.196  0.474  0.477  1.0
  O  O33  1  0.481  0.436  0.490  1.0
  O  O34  1  0.318  0.902  0.493  1.0
  O  O35  1  0.981  0.564  0.510  1.0
  O  O36  1  0.038  0.016  0.466  1.0
  O  O37  1  0.696  0.526  0.523  1.0
  O  O38  1  0.538  0.984  0.534  1.0
  O  O39  1  0.818  0.098  0.507  1.0
  O  O40  1  0.433  0.704  0.730  1.0
  O  O41  1  0.139  0.609  0.704  1.0
  O  O42  1  0.771  0.630  0.764  1.0
  O  O43  1  0.079  0.266  0.703  1.0
  O  O44  1  0.375  0.059  0.710  1.0
  O  O45  1  0.541  0.334  0.852  1.0
  O  O46  1  0.701  0.124  0.781  1.0
  O  O47  1  0.949  0.832  0.809  1.0
  O  O48  1  0.307  0.317  0.972  1.0
  O  O49  1  0.935  0.439  0.921  1.0
  O  O50  1  0.193  0.824  0.952  1.0
  O  O51  1  0.544  0.942  0.965  1.0
[/CIF]
.