The material structure 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(10), one O(11), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(15), one O(6), and one O(8) 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(4), one O(7), and one O(9) 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, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(11), one O(15), and one O(2) 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(13), one O(14), one O(16), one O(5), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(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, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(12), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(3), one Mn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) 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   11.702
_cell_length_b   6.151
_cell_length_c   8.421
_cell_angle_alpha   80.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   597.044
_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  0.623  0.629  0.070  1.0
  Li  Li1  1  0.918  0.149  0.043  1.0
  Li  Li2  1  0.151  0.203  0.306  1.0
  Li  Li3  1  0.651  0.797  0.694  1.0
  Li  Li4  1  0.123  0.371  0.930  1.0
  Li  Li5  1  0.418  0.851  0.957  1.0
  Mn  Mn6  1  0.909  0.598  0.281  1.0
  Mn  Mn7  1  0.578  0.061  0.289  1.0
  Mn  Mn8  1  0.308  0.622  0.337  1.0
  Mn  Mn9  1  0.808  0.378  0.663  1.0
  Mn  Mn10  1  0.409  0.402  0.719  1.0
  Mn  Mn11  1  0.078  0.939  0.711  1.0
  P  P12  1  0.638  0.128  0.917  1.0
  P  P13  1  0.880  0.645  0.917  1.0
  P  P14  1  0.403  0.921  0.589  1.0
  P  P15  1  0.082  0.462  0.589  1.0
  P  P16  1  0.903  0.079  0.411  1.0
  P  P17  1  0.582  0.538  0.411  1.0
  P  P18  1  0.380  0.355  0.083  1.0
  P  P19  1  0.138  0.872  0.083  1.0
  O  O20  1  0.438  0.131  0.136  1.0
  O  O21  1  0.169  0.864  0.903  1.0
  O  O22  1  0.956  0.443  0.927  1.0
  O  O23  1  0.315  0.353  0.918  1.0
  O  O24  1  0.938  0.869  0.864  1.0
  O  O25  1  0.760  0.162  0.839  1.0
  O  O26  1  0.456  0.557  0.073  1.0
  O  O27  1  0.815  0.647  0.082  1.0
  O  O28  1  0.093  0.100  0.102  1.0
  O  O29  1  0.060  0.685  0.163  1.0
  O  O30  1  0.669  0.136  0.097  1.0
  O  O31  1  0.287  0.380  0.215  1.0
  O  O32  1  0.593  0.900  0.898  1.0
  O  O33  1  0.915  0.282  0.271  1.0
  O  O34  1  0.260  0.838  0.161  1.0
  O  O35  1  0.619  0.354  0.321  1.0
  O  O36  1  0.581  0.749  0.280  1.0
  O  O37  1  0.859  0.888  0.330  1.0
  O  O38  1  0.165  0.441  0.453  1.0
  O  O39  1  0.454  0.493  0.479  1.0
  O  O40  1  0.560  0.315  0.837  1.0
  O  O41  1  0.954  0.507  0.521  1.0
  O  O42  1  0.665  0.559  0.547  1.0
  O  O43  1  0.024  0.022  0.486  1.0
  O  O44  1  0.524  0.978  0.514  1.0
  O  O45  1  0.815  0.130  0.538  1.0
  O  O46  1  0.119  0.646  0.679  1.0
  O  O47  1  0.415  0.718  0.729  1.0
  O  O48  1  0.359  0.112  0.670  1.0
  O  O49  1  0.787  0.620  0.785  1.0
  O  O50  1  0.081  0.251  0.720  1.0
  O  O51  1  0.315  0.870  0.462  1.0
[/CIF]
.
The material structure 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(10), one O(11), one O(3), one O(4), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(15), one O(6), and one O(8) 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(4), one O(7), and one O(9) 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, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(11), one O(15), and one O(2) 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(13), one O(14), one O(16), one O(5), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(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, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(12), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(3)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(13), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(2)O5 trigonal bipyramids, and corners with two equivalent Mn(3)O5 trigonal bipyramids. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(3), one Mn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) 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   11.702
_cell_length_b   6.151
_cell_length_c   8.421
_cell_angle_alpha   80.058
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   597.044
_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  0.623  0.629  0.070  1.0
  Li  Li1  1  0.918  0.149  0.043  1.0
  Li  Li2  1  0.151  0.203  0.306  1.0
  Li  Li3  1  0.651  0.797  0.694  1.0
  Li  Li4  1  0.123  0.371  0.930  1.0
  Li  Li5  1  0.418  0.851  0.957  1.0
  Mn  Mn6  1  0.909  0.598  0.281  1.0
  Mn  Mn7  1  0.578  0.061  0.289  1.0
  Mn  Mn8  1  0.308  0.622  0.337  1.0
  Mn  Mn9  1  0.808  0.378  0.663  1.0
  Mn  Mn10  1  0.409  0.402  0.719  1.0
  Mn  Mn11  1  0.078  0.939  0.711  1.0
  P  P12  1  0.638  0.128  0.917  1.0
  P  P13  1  0.880  0.645  0.917  1.0
  P  P14  1  0.403  0.921  0.589  1.0
  P  P15  1  0.082  0.462  0.589  1.0
  P  P16  1  0.903  0.079  0.411  1.0
  P  P17  1  0.582  0.538  0.411  1.0
  P  P18  1  0.380  0.355  0.083  1.0
  P  P19  1  0.138  0.872  0.083  1.0
  O  O20  1  0.438  0.131  0.136  1.0
  O  O21  1  0.169  0.864  0.903  1.0
  O  O22  1  0.956  0.443  0.927  1.0
  O  O23  1  0.315  0.353  0.918  1.0
  O  O24  1  0.938  0.869  0.864  1.0
  O  O25  1  0.760  0.162  0.839  1.0
  O  O26  1  0.456  0.557  0.073  1.0
  O  O27  1  0.815  0.647  0.082  1.0
  O  O28  1  0.093  0.100  0.102  1.0
  O  O29  1  0.060  0.685  0.163  1.0
  O  O30  1  0.669  0.136  0.097  1.0
  O  O31  1  0.287  0.380  0.215  1.0
  O  O32  1  0.593  0.900  0.898  1.0
  O  O33  1  0.915  0.282  0.271  1.0
  O  O34  1  0.260  0.838  0.161  1.0
  O  O35  1  0.619  0.354  0.321  1.0
  O  O36  1  0.581  0.749  0.280  1.0
  O  O37  1  0.859  0.888  0.330  1.0
  O  O38  1  0.165  0.441  0.453  1.0
  O  O39  1  0.454  0.493  0.479  1.0
  O  O40  1  0.560  0.315  0.837  1.0
  O  O41  1  0.954  0.507  0.521  1.0
  O  O42  1  0.665  0.559  0.547  1.0
  O  O43  1  0.024  0.022  0.486  1.0
  O  O44  1  0.524  0.978  0.514  1.0
  O  O45  1  0.815  0.130  0.538  1.0
  O  O46  1  0.119  0.646  0.679  1.0
  O  O47  1  0.415  0.718  0.729  1.0
  O  O48  1  0.359  0.112  0.670  1.0
  O  O49  1  0.787  0.620  0.785  1.0
  O  O50  1  0.081  0.251  0.720  1.0
  O  O51  1  0.315  0.870  0.462  1.0
[/CIF]
.