The material described by Li3Mn3(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(3), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(15), one O(16), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(14), one O(16), one O(5), and one O(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(3), one O(6), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(15), and one O(6) atom to form MnO5 trigonal bipyramids 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, and corners with two equivalent P(4)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(13), one O(4), one O(7), and one O(8) atom to form MnO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(16), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(11), one O(13), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(15), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mn(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), 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 Mn(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.575
_cell_length_b   6.142
_cell_length_c   8.411
_cell_angle_alpha   79.875
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.689
_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  0.197  0.136  0.352  1.0
  Li  Li1  1  0.397  0.871  0.944  1.0
  Li  Li2  1  0.697  0.864  0.648  1.0
  Li  Li3  1  0.897  0.129  0.056  1.0
  Li  Li4  1  0.105  0.369  0.952  1.0
  Li  Li5  1  0.605  0.631  0.048  1.0
  Mn  Mn6  1  0.810  0.364  0.658  1.0
  Mn  Mn7  1  0.412  0.413  0.722  1.0
  Mn  Mn8  1  0.912  0.587  0.278  1.0
  Mn  Mn9  1  0.084  0.924  0.719  1.0
  Mn  Mn10  1  0.310  0.636  0.342  1.0
  Mn  Mn11  1  0.584  0.076  0.281  1.0
  P  P12  1  0.871  0.626  0.911  1.0
  P  P13  1  0.629  0.136  0.917  1.0
  P  P14  1  0.085  0.448  0.602  1.0
  P  P15  1  0.585  0.552  0.398  1.0
  P  P16  1  0.129  0.864  0.083  1.0
  P  P17  1  0.371  0.374  0.089  1.0
  P  P18  1  0.916  0.067  0.406  1.0
  P  P19  1  0.416  0.933  0.594  1.0
  O  O20  1  0.116  0.624  0.704  1.0
  O  O21  1  0.735  0.133  0.801  1.0
  O  O22  1  0.275  0.393  0.220  1.0
  O  O23  1  0.537  0.993  0.515  1.0
  O  O24  1  0.067  0.081  0.088  1.0
  O  O25  1  0.458  0.504  0.477  1.0
  O  O26  1  0.580  0.768  0.272  1.0
  O  O27  1  0.235  0.867  0.199  1.0
  O  O28  1  0.936  0.843  0.853  1.0
  O  O29  1  0.677  0.562  0.525  1.0
  O  O30  1  0.423  0.724  0.729  1.0
  O  O31  1  0.059  0.654  0.143  1.0
  O  O32  1  0.923  0.276  0.271  1.0
  O  O33  1  0.037  0.007  0.485  1.0
  O  O34  1  0.775  0.607  0.780  1.0
  O  O35  1  0.436  0.157  0.147  1.0
  O  O36  1  0.824  0.106  0.532  1.0
  O  O37  1  0.184  0.861  0.913  1.0
  O  O38  1  0.958  0.496  0.523  1.0
  O  O39  1  0.811  0.638  0.077  1.0
  O  O40  1  0.559  0.346  0.857  1.0
  O  O41  1  0.567  0.919  0.912  1.0
  O  O42  1  0.324  0.894  0.468  1.0
  O  O43  1  0.311  0.362  0.923  1.0
  O  O44  1  0.873  0.882  0.316  1.0
  O  O45  1  0.684  0.139  0.087  1.0
  O  O46  1  0.938  0.410  0.918  1.0
  O  O47  1  0.373  0.118  0.684  1.0
  O  O48  1  0.177  0.438  0.475  1.0
  O  O49  1  0.616  0.376  0.296  1.0
  O  O50  1  0.438  0.590  0.082  1.0
  O  O51  1  0.080  0.232  0.728  1.0
[/CIF]
.
The material described by Li3Mn3(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(3), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(15), one O(16), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(14), one O(16), one O(5), and one O(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(3), one O(6), and one O(9) atom. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(15), and one O(6) atom to form MnO5 trigonal bipyramids 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, and corners with two equivalent P(4)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(13), one O(4), one O(7), and one O(8) atom to form MnO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(16), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(11), one O(13), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(1), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O5 square pyramids and  a cornercorner with one Mn(2)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(15), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 square pyramid and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(3), one Mn(3), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mn(3) and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Li(3), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), 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 Mn(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.575
_cell_length_b   6.142
_cell_length_c   8.411
_cell_angle_alpha   79.875
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.689
_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  0.197  0.136  0.352  1.0
  Li  Li1  1  0.397  0.871  0.944  1.0
  Li  Li2  1  0.697  0.864  0.648  1.0
  Li  Li3  1  0.897  0.129  0.056  1.0
  Li  Li4  1  0.105  0.369  0.952  1.0
  Li  Li5  1  0.605  0.631  0.048  1.0
  Mn  Mn6  1  0.810  0.364  0.658  1.0
  Mn  Mn7  1  0.412  0.413  0.722  1.0
  Mn  Mn8  1  0.912  0.587  0.278  1.0
  Mn  Mn9  1  0.084  0.924  0.719  1.0
  Mn  Mn10  1  0.310  0.636  0.342  1.0
  Mn  Mn11  1  0.584  0.076  0.281  1.0
  P  P12  1  0.871  0.626  0.911  1.0
  P  P13  1  0.629  0.136  0.917  1.0
  P  P14  1  0.085  0.448  0.602  1.0
  P  P15  1  0.585  0.552  0.398  1.0
  P  P16  1  0.129  0.864  0.083  1.0
  P  P17  1  0.371  0.374  0.089  1.0
  P  P18  1  0.916  0.067  0.406  1.0
  P  P19  1  0.416  0.933  0.594  1.0
  O  O20  1  0.116  0.624  0.704  1.0
  O  O21  1  0.735  0.133  0.801  1.0
  O  O22  1  0.275  0.393  0.220  1.0
  O  O23  1  0.537  0.993  0.515  1.0
  O  O24  1  0.067  0.081  0.088  1.0
  O  O25  1  0.458  0.504  0.477  1.0
  O  O26  1  0.580  0.768  0.272  1.0
  O  O27  1  0.235  0.867  0.199  1.0
  O  O28  1  0.936  0.843  0.853  1.0
  O  O29  1  0.677  0.562  0.525  1.0
  O  O30  1  0.423  0.724  0.729  1.0
  O  O31  1  0.059  0.654  0.143  1.0
  O  O32  1  0.923  0.276  0.271  1.0
  O  O33  1  0.037  0.007  0.485  1.0
  O  O34  1  0.775  0.607  0.780  1.0
  O  O35  1  0.436  0.157  0.147  1.0
  O  O36  1  0.824  0.106  0.532  1.0
  O  O37  1  0.184  0.861  0.913  1.0
  O  O38  1  0.958  0.496  0.523  1.0
  O  O39  1  0.811  0.638  0.077  1.0
  O  O40  1  0.559  0.346  0.857  1.0
  O  O41  1  0.567  0.919  0.912  1.0
  O  O42  1  0.324  0.894  0.468  1.0
  O  O43  1  0.311  0.362  0.923  1.0
  O  O44  1  0.873  0.882  0.316  1.0
  O  O45  1  0.684  0.139  0.087  1.0
  O  O46  1  0.938  0.410  0.918  1.0
  O  O47  1  0.373  0.118  0.684  1.0
  O  O48  1  0.177  0.438  0.475  1.0
  O  O49  1  0.616  0.376  0.296  1.0
  O  O50  1  0.438  0.590  0.082  1.0
  O  O51  1  0.080  0.232  0.728  1.0
[/CIF]
.