The material described by Li2Mn2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), and one O(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-49°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Mn(1), 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 Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.126
_cell_length_b   8.318
_cell_length_c   8.252
_cell_angle_alpha   60.974
_cell_angle_beta   61.695
_cell_angle_gamma   91.913
_symmetry_Int_Tables_number   1
_cell_volume   453.114
_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  0.861  0.257  0.821  1.0
  Li  Li1  1  0.872  0.933  0.390  1.0
  Li  Li2  1  0.128  0.067  0.610  1.0
  Li  Li3  1  0.139  0.743  0.179  1.0
  Mn  Mn4  1  0.957  0.648  0.700  1.0
  Mn  Mn5  1  0.433  0.148  0.712  1.0
  Mn  Mn6  1  0.567  0.852  0.288  1.0
  Mn  Mn7  1  0.043  0.352  0.300  1.0
  P  P8  1  0.747  0.951  0.792  1.0
  P  P9  1  0.758  0.535  0.505  1.0
  P  P10  1  0.748  0.254  0.215  1.0
  P  P11  1  0.252  0.746  0.785  1.0
  P  P12  1  0.242  0.465  0.495  1.0
  P  P13  1  0.253  0.049  0.208  1.0
  O  O14  1  0.906  0.159  0.628  1.0
  O  O15  1  0.803  0.494  0.680  1.0
  O  O16  1  0.814  0.823  0.702  1.0
  O  O17  1  0.914  0.530  0.311  1.0
  O  O18  1  0.889  0.210  0.276  1.0
  O  O19  1  0.753  0.742  0.389  1.0
  O  O20  1  0.582  0.975  0.801  1.0
  O  O21  1  0.582  0.381  0.627  1.0
  O  O22  1  0.807  0.467  0.023  1.0
  O  O23  1  0.738  0.114  0.144  1.0
  O  O24  1  0.569  0.205  0.416  1.0
  O  O25  1  0.735  0.876  0.011  1.0
  O  O26  1  0.265  0.124  0.989  1.0
  O  O27  1  0.431  0.795  0.584  1.0
  O  O28  1  0.262  0.886  0.856  1.0
  O  O29  1  0.193  0.533  0.977  1.0
  O  O30  1  0.418  0.619  0.373  1.0
  O  O31  1  0.418  0.025  0.199  1.0
  O  O32  1  0.247  0.258  0.611  1.0
  O  O33  1  0.111  0.790  0.724  1.0
  O  O34  1  0.086  0.470  0.689  1.0
  O  O35  1  0.186  0.177  0.298  1.0
  O  O36  1  0.197  0.506  0.320  1.0
  O  O37  1  0.094  0.841  0.372  1.0
[/CIF]
.
The material described by Li2Mn2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), and one O(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-49°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-50°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Mn(1), 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 Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.126
_cell_length_b   8.318
_cell_length_c   8.252
_cell_angle_alpha   60.974
_cell_angle_beta   61.695
_cell_angle_gamma   91.913
_symmetry_Int_Tables_number   1
_cell_volume   453.114
_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  0.861  0.257  0.821  1.0
  Li  Li1  1  0.872  0.933  0.390  1.0
  Li  Li2  1  0.128  0.067  0.610  1.0
  Li  Li3  1  0.139  0.743  0.179  1.0
  Mn  Mn4  1  0.957  0.648  0.700  1.0
  Mn  Mn5  1  0.433  0.148  0.712  1.0
  Mn  Mn6  1  0.567  0.852  0.288  1.0
  Mn  Mn7  1  0.043  0.352  0.300  1.0
  P  P8  1  0.747  0.951  0.792  1.0
  P  P9  1  0.758  0.535  0.505  1.0
  P  P10  1  0.748  0.254  0.215  1.0
  P  P11  1  0.252  0.746  0.785  1.0
  P  P12  1  0.242  0.465  0.495  1.0
  P  P13  1  0.253  0.049  0.208  1.0
  O  O14  1  0.906  0.159  0.628  1.0
  O  O15  1  0.803  0.494  0.680  1.0
  O  O16  1  0.814  0.823  0.702  1.0
  O  O17  1  0.914  0.530  0.311  1.0
  O  O18  1  0.889  0.210  0.276  1.0
  O  O19  1  0.753  0.742  0.389  1.0
  O  O20  1  0.582  0.975  0.801  1.0
  O  O21  1  0.582  0.381  0.627  1.0
  O  O22  1  0.807  0.467  0.023  1.0
  O  O23  1  0.738  0.114  0.144  1.0
  O  O24  1  0.569  0.205  0.416  1.0
  O  O25  1  0.735  0.876  0.011  1.0
  O  O26  1  0.265  0.124  0.989  1.0
  O  O27  1  0.431  0.795  0.584  1.0
  O  O28  1  0.262  0.886  0.856  1.0
  O  O29  1  0.193  0.533  0.977  1.0
  O  O30  1  0.418  0.619  0.373  1.0
  O  O31  1  0.418  0.025  0.199  1.0
  O  O32  1  0.247  0.258  0.611  1.0
  O  O33  1  0.111  0.790  0.724  1.0
  O  O34  1  0.086  0.470  0.689  1.0
  O  O35  1  0.186  0.177  0.298  1.0
  O  O36  1  0.197  0.506  0.320  1.0
  O  O37  1  0.094  0.841  0.372  1.0
[/CIF]
.