The material described by Li6Mn3Sn(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(2)O6 octahedra. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(17), one O(18), one O(19), and one O(24) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom. Sn(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the second P site, P(2) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. In the third P site, P(3) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-48°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(19)Li3MnP square pyramid and  an edgeedge with one O(14)Li2MnP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Sn(1), and one P(4) atom to form distorted corner-sharing OLi2SnP trigonal pyramids. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form OLi2MnP trigonal pyramids that share  a cornercorner with one O(11)Li2SnP trigonal pyramid and  an edgeedge with one O(10)Li2MnP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(6), one Mn(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Sn(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(5), one Li(6), one Mn(3), and one P(6) atom to form distorted corner-sharing OLi3MnP square pyramids. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Mn(3), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Sn(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn3Sn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.548
_cell_length_b   8.637
_cell_length_c   8.722
_cell_angle_alpha   61.499
_cell_angle_beta   61.995
_cell_angle_gamma   62.622
_symmetry_Int_Tables_number   1
_cell_volume   476.011
_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  0.997  0.994  0.975  1.0
  Li  Li1  1  0.651  0.847  0.249  1.0
  Li  Li2  1  0.502  0.502  0.513  1.0
  Li  Li3  1  0.350  0.160  0.710  1.0
  Li  Li4  1  0.159  0.707  0.356  1.0
  Li  Li5  1  0.710  0.356  0.160  1.0
  Mn  Mn6  1  0.857  0.857  0.856  1.0
  Mn  Mn7  1  0.643  0.641  0.645  1.0
  Mn  Mn8  1  0.346  0.349  0.351  1.0
  Sn  Sn9  1  0.147  0.152  0.144  1.0
  P  P10  1  0.944  0.559  0.251  1.0
  P  P11  1  0.563  0.258  0.944  1.0
  P  P12  1  0.249  0.942  0.560  1.0
  P  P13  1  0.040  0.462  0.753  1.0
  P  P14  1  0.749  0.036  0.458  1.0
  P  P15  1  0.463  0.756  0.046  1.0
  O  O16  1  0.502  0.714  0.881  1.0
  O  O17  1  0.883  0.493  0.693  1.0
  O  O18  1  0.741  0.092  0.937  1.0
  O  O19  1  0.697  0.879  0.471  1.0
  O  O20  1  0.395  0.201  0.981  1.0
  O  O21  1  0.573  0.416  0.755  1.0
  O  O22  1  0.084  0.921  0.742  1.0
  O  O23  1  0.411  0.759  0.560  1.0
  O  O24  1  0.998  0.608  0.826  1.0
  O  O25  1  0.748  0.575  0.395  1.0
  O  O26  1  0.064  0.261  0.910  1.0
  O  O27  1  0.807  0.985  0.619  1.0
  O  O28  1  0.194  0.988  0.392  1.0
  O  O29  1  0.927  0.750  0.094  1.0
  O  O30  1  0.232  0.444  0.597  1.0
  O  O31  1  0.985  0.395  0.191  1.0
  O  O32  1  0.593  0.224  0.441  1.0
  O  O33  1  0.910  0.065  0.265  1.0
  O  O34  1  0.441  0.597  0.234  1.0
  O  O35  1  0.619  0.819  0.024  1.0
  O  O36  1  0.304  0.097  0.540  1.0
  O  O37  1  0.267  0.914  0.069  1.0
  O  O38  1  0.097  0.529  0.315  1.0
  O  O39  1  0.532  0.317  0.099  1.0
[/CIF]
.
The material described by Li6Mn3Sn(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the third Li site, Li(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(2)O6 octahedra. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(17), one O(18), one O(19), and one O(24) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Li(3)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom. Sn(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the second P site, P(2) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-47°. In the third P site, P(3) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-48°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and  a cornercorner with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Mn(2), and one P(1) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(19)Li3MnP square pyramid and  an edgeedge with one O(14)Li2MnP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Sn(1), and one P(4) atom to form distorted corner-sharing OLi2SnP trigonal pyramids. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form OLi2MnP trigonal pyramids that share  a cornercorner with one O(11)Li2SnP trigonal pyramid and  an edgeedge with one O(10)Li2MnP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(5), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Sn(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Li(6), one Mn(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one Sn(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(5), one Li(6), one Mn(3), and one P(6) atom to form distorted corner-sharing OLi3MnP square pyramids. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(4), one Mn(3), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Sn(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Mn(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Mn(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn3Sn(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.548
_cell_length_b   8.637
_cell_length_c   8.722
_cell_angle_alpha   61.499
_cell_angle_beta   61.995
_cell_angle_gamma   62.622
_symmetry_Int_Tables_number   1
_cell_volume   476.011
_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  0.997  0.994  0.975  1.0
  Li  Li1  1  0.651  0.847  0.249  1.0
  Li  Li2  1  0.502  0.502  0.513  1.0
  Li  Li3  1  0.350  0.160  0.710  1.0
  Li  Li4  1  0.159  0.707  0.356  1.0
  Li  Li5  1  0.710  0.356  0.160  1.0
  Mn  Mn6  1  0.857  0.857  0.856  1.0
  Mn  Mn7  1  0.643  0.641  0.645  1.0
  Mn  Mn8  1  0.346  0.349  0.351  1.0
  Sn  Sn9  1  0.147  0.152  0.144  1.0
  P  P10  1  0.944  0.559  0.251  1.0
  P  P11  1  0.563  0.258  0.944  1.0
  P  P12  1  0.249  0.942  0.560  1.0
  P  P13  1  0.040  0.462  0.753  1.0
  P  P14  1  0.749  0.036  0.458  1.0
  P  P15  1  0.463  0.756  0.046  1.0
  O  O16  1  0.502  0.714  0.881  1.0
  O  O17  1  0.883  0.493  0.693  1.0
  O  O18  1  0.741  0.092  0.937  1.0
  O  O19  1  0.697  0.879  0.471  1.0
  O  O20  1  0.395  0.201  0.981  1.0
  O  O21  1  0.573  0.416  0.755  1.0
  O  O22  1  0.084  0.921  0.742  1.0
  O  O23  1  0.411  0.759  0.560  1.0
  O  O24  1  0.998  0.608  0.826  1.0
  O  O25  1  0.748  0.575  0.395  1.0
  O  O26  1  0.064  0.261  0.910  1.0
  O  O27  1  0.807  0.985  0.619  1.0
  O  O28  1  0.194  0.988  0.392  1.0
  O  O29  1  0.927  0.750  0.094  1.0
  O  O30  1  0.232  0.444  0.597  1.0
  O  O31  1  0.985  0.395  0.191  1.0
  O  O32  1  0.593  0.224  0.441  1.0
  O  O33  1  0.910  0.065  0.265  1.0
  O  O34  1  0.441  0.597  0.234  1.0
  O  O35  1  0.619  0.819  0.024  1.0
  O  O36  1  0.304  0.097  0.540  1.0
  O  O37  1  0.267  0.914  0.069  1.0
  O  O38  1  0.097  0.529  0.315  1.0
  O  O39  1  0.532  0.317  0.099  1.0
[/CIF]
.