The crystal structure described by Li2Mn3(PO4)3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(12) and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) 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 44-46°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(7) atoms 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 39-50°. In the third P site, P(3) is bonded to two equivalent O(6) and two equivalent O(8) atoms 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 30-35°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), 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 20-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.607
_cell_length_b   8.607
_cell_length_c   8.534
_cell_angle_alpha   63.767
_cell_angle_beta   63.767
_cell_angle_gamma   62.555
_symmetry_Int_Tables_number   1
_cell_volume   480.226
_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  0.356  0.644  0.500  1.0
  Li  Li1  1  0.659  0.341  0.000  1.0
  Li  Li2  1  0.246  0.152  0.601  1.0
  Li  Li3  1  0.848  0.754  0.399  1.0
  Mn  Mn4  1  0.498  0.010  0.242  1.0
  Mn  Mn5  1  0.150  0.644  0.896  1.0
  Mn  Mn6  1  0.653  0.156  0.406  1.0
  Mn  Mn7  1  0.990  0.502  0.758  1.0
  Mn  Mn8  1  0.356  0.850  0.104  1.0
  Mn  Mn9  1  0.844  0.347  0.594  1.0
  P  P10  1  0.749  0.560  0.183  1.0
  P  P11  1  0.440  0.251  0.817  1.0
  P  P12  1  0.060  0.940  0.500  1.0
  P  P13  1  0.963  0.037  0.000  1.0
  P  P14  1  0.544  0.749  0.694  1.0
  P  P15  1  0.251  0.456  0.306  1.0
  O  O16  1  0.598  0.307  0.789  1.0
  O  O17  1  0.028  0.094  0.566  1.0
  O  O18  1  0.804  0.537  0.343  1.0
  O  O19  1  0.582  0.748  0.177  1.0
  O  O20  1  0.693  0.402  0.211  1.0
  O  O21  1  0.901  0.583  0.997  1.0
  O  O22  1  0.417  0.099  0.003  1.0
  O  O23  1  0.252  0.418  0.823  1.0
  O  O24  1  0.113  0.993  0.077  1.0
  O  O25  1  0.083  0.745  0.647  1.0
  O  O26  1  0.768  0.057  0.147  1.0
  O  O27  1  0.490  0.813  0.856  1.0
  O  O28  1  0.463  0.196  0.657  1.0
  O  O29  1  0.255  0.917  0.353  1.0
  O  O30  1  0.943  0.232  0.853  1.0
  O  O31  1  0.906  0.972  0.434  1.0
  O  O32  1  0.739  0.597  0.683  1.0
  O  O33  1  0.571  0.903  0.504  1.0
  O  O34  1  0.097  0.429  0.496  1.0
  O  O35  1  0.317  0.600  0.293  1.0
  O  O36  1  0.403  0.261  0.317  1.0
  O  O37  1  0.187  0.510  0.144  1.0
  O  O38  1  0.007  0.887  0.923  1.0
  O  O39  1  0.400  0.683  0.707  1.0
[/CIF]
.
The crystal structure described by Li2Mn3(PO4)3 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(12) and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a faceface with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) 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 44-46°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(7) atoms 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 39-50°. In the third P site, P(3) is bonded to two equivalent O(6) and two equivalent O(8) atoms 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 30-35°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), 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 20-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(1), one Mn(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(3), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.607
_cell_length_b   8.607
_cell_length_c   8.534
_cell_angle_alpha   63.767
_cell_angle_beta   63.767
_cell_angle_gamma   62.555
_symmetry_Int_Tables_number   1
_cell_volume   480.226
_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  0.356  0.644  0.500  1.0
  Li  Li1  1  0.659  0.341  0.000  1.0
  Li  Li2  1  0.246  0.152  0.601  1.0
  Li  Li3  1  0.848  0.754  0.399  1.0
  Mn  Mn4  1  0.498  0.010  0.242  1.0
  Mn  Mn5  1  0.150  0.644  0.896  1.0
  Mn  Mn6  1  0.653  0.156  0.406  1.0
  Mn  Mn7  1  0.990  0.502  0.758  1.0
  Mn  Mn8  1  0.356  0.850  0.104  1.0
  Mn  Mn9  1  0.844  0.347  0.594  1.0
  P  P10  1  0.749  0.560  0.183  1.0
  P  P11  1  0.440  0.251  0.817  1.0
  P  P12  1  0.060  0.940  0.500  1.0
  P  P13  1  0.963  0.037  0.000  1.0
  P  P14  1  0.544  0.749  0.694  1.0
  P  P15  1  0.251  0.456  0.306  1.0
  O  O16  1  0.598  0.307  0.789  1.0
  O  O17  1  0.028  0.094  0.566  1.0
  O  O18  1  0.804  0.537  0.343  1.0
  O  O19  1  0.582  0.748  0.177  1.0
  O  O20  1  0.693  0.402  0.211  1.0
  O  O21  1  0.901  0.583  0.997  1.0
  O  O22  1  0.417  0.099  0.003  1.0
  O  O23  1  0.252  0.418  0.823  1.0
  O  O24  1  0.113  0.993  0.077  1.0
  O  O25  1  0.083  0.745  0.647  1.0
  O  O26  1  0.768  0.057  0.147  1.0
  O  O27  1  0.490  0.813  0.856  1.0
  O  O28  1  0.463  0.196  0.657  1.0
  O  O29  1  0.255  0.917  0.353  1.0
  O  O30  1  0.943  0.232  0.853  1.0
  O  O31  1  0.906  0.972  0.434  1.0
  O  O32  1  0.739  0.597  0.683  1.0
  O  O33  1  0.571  0.903  0.504  1.0
  O  O34  1  0.097  0.429  0.496  1.0
  O  O35  1  0.317  0.600  0.293  1.0
  O  O36  1  0.403  0.261  0.317  1.0
  O  O37  1  0.187  0.510  0.144  1.0
  O  O38  1  0.007  0.887  0.923  1.0
  O  O39  1  0.400  0.683  0.707  1.0
[/CIF]
.