The structure described by Li3Mn3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(7), one O(8), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. 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(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to 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 Mn(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Mn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.908
_cell_length_b   9.908
_cell_length_c   10.494
_cell_angle_alpha   88.568
_cell_angle_beta   88.568
_cell_angle_gamma   40.405
_symmetry_Int_Tables_number   1
_cell_volume   667.532
_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  0.976  0.169  0.442  1.0
  Li  Li1  1  0.462  0.538  0.250  1.0
  Li  Li2  1  0.831  0.024  0.058  1.0
  Li  Li3  1  0.169  0.976  0.942  1.0
  Li  Li4  1  0.024  0.831  0.558  1.0
  Li  Li5  1  0.538  0.462  0.750  1.0
  Mn  Mn6  1  0.638  0.676  0.755  1.0
  Mn  Mn7  1  0.676  0.638  0.255  1.0
  Mn  Mn8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.324  0.362  0.745  1.0
  Mn  Mn10  1  0.362  0.324  0.245  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  P  P12  1  0.412  0.748  0.503  1.0
  P  P13  1  0.748  0.412  0.003  1.0
  P  P14  1  0.828  0.780  0.247  1.0
  P  P15  1  0.172  0.220  0.753  1.0
  P  P16  1  0.780  0.828  0.747  1.0
  P  P17  1  0.252  0.588  0.997  1.0
  P  P18  1  0.220  0.172  0.253  1.0
  P  P19  1  0.588  0.252  0.497  1.0
  O  O20  1  0.599  0.570  0.892  1.0
  O  O21  1  0.230  0.282  0.145  1.0
  O  O22  1  0.357  0.951  0.218  1.0
  O  O23  1  0.819  0.214  0.988  1.0
  O  O24  1  0.770  0.718  0.855  1.0
  O  O25  1  0.681  0.804  0.641  1.0
  O  O26  1  0.570  0.599  0.392  1.0
  O  O27  1  0.049  0.643  0.282  1.0
  O  O28  1  0.214  0.819  0.488  1.0
  O  O29  1  0.951  0.357  0.718  1.0
  O  O30  1  0.367  0.476  0.867  1.0
  O  O31  1  0.476  0.367  0.367  1.0
  O  O32  1  0.002  0.299  0.298  1.0
  O  O33  1  0.430  0.401  0.608  1.0
  O  O34  1  0.181  0.786  0.012  1.0
  O  O35  1  0.524  0.633  0.633  1.0
  O  O36  1  0.282  0.230  0.645  1.0
  O  O37  1  0.196  0.319  0.859  1.0
  O  O38  1  0.718  0.770  0.355  1.0
  O  O39  1  0.804  0.681  0.141  1.0
  O  O40  1  0.998  0.701  0.702  1.0
  O  O41  1  0.651  0.051  0.499  1.0
  O  O42  1  0.643  0.049  0.782  1.0
  O  O43  1  0.051  0.651  0.999  1.0
  O  O44  1  0.786  0.181  0.512  1.0
  O  O45  1  0.319  0.196  0.359  1.0
  O  O46  1  0.633  0.524  0.133  1.0
  O  O47  1  0.349  0.949  0.501  1.0
  O  O48  1  0.949  0.349  0.001  1.0
  O  O49  1  0.401  0.430  0.108  1.0
  O  O50  1  0.701  0.998  0.202  1.0
  O  O51  1  0.299  0.002  0.798  1.0
[/CIF]
.
The structure described by Li3Mn3(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(7), one O(8), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. 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(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the second Mn site, Mn(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to 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 Mn(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li3Mn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.908
_cell_length_b   9.908
_cell_length_c   10.494
_cell_angle_alpha   88.568
_cell_angle_beta   88.568
_cell_angle_gamma   40.405
_symmetry_Int_Tables_number   1
_cell_volume   667.532
_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  0.976  0.169  0.442  1.0
  Li  Li1  1  0.462  0.538  0.250  1.0
  Li  Li2  1  0.831  0.024  0.058  1.0
  Li  Li3  1  0.169  0.976  0.942  1.0
  Li  Li4  1  0.024  0.831  0.558  1.0
  Li  Li5  1  0.538  0.462  0.750  1.0
  Mn  Mn6  1  0.638  0.676  0.755  1.0
  Mn  Mn7  1  0.676  0.638  0.255  1.0
  Mn  Mn8  1  0.500  0.000  0.500  1.0
  Mn  Mn9  1  0.324  0.362  0.745  1.0
  Mn  Mn10  1  0.362  0.324  0.245  1.0
  Mn  Mn11  1  0.000  0.500  0.000  1.0
  P  P12  1  0.412  0.748  0.503  1.0
  P  P13  1  0.748  0.412  0.003  1.0
  P  P14  1  0.828  0.780  0.247  1.0
  P  P15  1  0.172  0.220  0.753  1.0
  P  P16  1  0.780  0.828  0.747  1.0
  P  P17  1  0.252  0.588  0.997  1.0
  P  P18  1  0.220  0.172  0.253  1.0
  P  P19  1  0.588  0.252  0.497  1.0
  O  O20  1  0.599  0.570  0.892  1.0
  O  O21  1  0.230  0.282  0.145  1.0
  O  O22  1  0.357  0.951  0.218  1.0
  O  O23  1  0.819  0.214  0.988  1.0
  O  O24  1  0.770  0.718  0.855  1.0
  O  O25  1  0.681  0.804  0.641  1.0
  O  O26  1  0.570  0.599  0.392  1.0
  O  O27  1  0.049  0.643  0.282  1.0
  O  O28  1  0.214  0.819  0.488  1.0
  O  O29  1  0.951  0.357  0.718  1.0
  O  O30  1  0.367  0.476  0.867  1.0
  O  O31  1  0.476  0.367  0.367  1.0
  O  O32  1  0.002  0.299  0.298  1.0
  O  O33  1  0.430  0.401  0.608  1.0
  O  O34  1  0.181  0.786  0.012  1.0
  O  O35  1  0.524  0.633  0.633  1.0
  O  O36  1  0.282  0.230  0.645  1.0
  O  O37  1  0.196  0.319  0.859  1.0
  O  O38  1  0.718  0.770  0.355  1.0
  O  O39  1  0.804  0.681  0.141  1.0
  O  O40  1  0.998  0.701  0.702  1.0
  O  O41  1  0.651  0.051  0.499  1.0
  O  O42  1  0.643  0.049  0.782  1.0
  O  O43  1  0.051  0.651  0.999  1.0
  O  O44  1  0.786  0.181  0.512  1.0
  O  O45  1  0.319  0.196  0.359  1.0
  O  O46  1  0.633  0.524  0.133  1.0
  O  O47  1  0.349  0.949  0.501  1.0
  O  O48  1  0.949  0.349  0.001  1.0
  O  O49  1  0.401  0.430  0.108  1.0
  O  O50  1  0.701  0.998  0.202  1.0
  O  O51  1  0.299  0.002  0.798  1.0
[/CIF]
.