The material described by Li2Mn3(PO4)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(15), one O(25), one O(3), one O(4), and one O(5) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(18), one O(2), one O(20), and one O(30) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(5)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-73°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(21), one O(23), one O(26), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(1), one O(13), one O(20), one O(23), one O(24), and one O(28) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(14), one O(2), one O(24), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Mn site, Mn(2) is bonded to one O(11), one O(17), one O(27), one O(32), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(4)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Mn site, Mn(3) is bonded to one O(13), one O(15), one O(16), one O(23), one O(25), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(17), one O(19), one O(21), one O(6), and one O(8) atom to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Mn site, Mn(5) is bonded to one O(18), one O(19), one O(26), one O(29), one O(30), and one O(6) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(4)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the sixth Mn site, Mn(6) is bonded to one O(18), one O(22), one O(29), one O(31), one O(32), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-73°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(13), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second P site, P(2) is bonded to one O(24), one O(27), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the third P site, P(3) is bonded to one O(22), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-54°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(20), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fifth P site, P(5) is bonded to one O(11), one O(18), one O(19), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(5)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-55°. In the sixth P site, P(6) is bonded to one O(10), one O(23), one O(25), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the seventh P site, P(7) is bonded to one O(21), one O(28), one O(29), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. In the eighth P site, P(8) is bonded to one O(16), one O(17), one O(30), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(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(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(6), and one P(7) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(2), one Mn(4), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one P(8) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(2), one Mn(5), one Mn(6), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Mn(6) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a distorted tetrahedral geometry to one Li(3), one Li(4), one Mn(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(6) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Li(3), one Mn(5), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Li(4) and one P(7) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(7) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(6), and one P(8) atom. is represented by the CIF card [CIF]
data_Li2Mn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.645
_cell_length_b   7.705
_cell_length_c   10.964
_cell_angle_alpha   105.775
_cell_angle_beta   105.691
_cell_angle_gamma   101.812
_symmetry_Int_Tables_number   1
_cell_volume   570.678
_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  0.528  0.782  0.269  1.0
  Li  Li1  1  0.771  0.252  0.012  1.0
  Li  Li2  1  0.480  0.521  0.485  1.0
  Li  Li3  1  0.031  0.276  0.269  1.0
  Mn  Mn4  1  0.003  0.749  0.225  1.0
  Mn  Mn5  1  0.956  0.705  0.720  1.0
  Mn  Mn6  1  0.502  0.254  0.222  1.0
  Mn  Mn7  1  0.490  0.742  0.791  1.0
  Mn  Mn8  1  0.446  0.197  0.715  1.0
  Mn  Mn9  1  0.996  0.246  0.786  1.0
  P  P10  1  0.710  0.952  0.098  1.0
  P  P11  1  0.872  0.622  0.400  1.0
  P  P12  1  0.639  0.889  0.600  1.0
  P  P13  1  0.204  0.457  0.094  1.0
  P  P14  1  0.784  0.536  0.905  1.0
  P  P15  1  0.369  0.118  0.397  1.0
  P  P16  1  0.135  0.385  0.597  1.0
  P  P17  1  0.283  0.035  0.906  1.0
  O  O18  1  0.920  0.952  0.165  1.0
  O  O19  1  0.819  0.565  0.056  1.0
  O  O20  1  0.557  0.806  0.106  1.0
  O  O21  1  0.820  0.763  0.327  1.0
  O  O22  1  0.532  0.775  0.452  1.0
  O  O23  1  0.504  0.953  0.678  1.0
  O  O24  1  0.003  0.453  0.676  1.0
  O  O25  1  0.698  0.744  0.671  1.0
  O  O26  1  0.697  0.460  0.381  1.0
  O  O27  1  0.205  0.950  0.378  1.0
  O  O28  1  0.934  0.681  0.886  1.0
  O  O29  1  0.684  0.936  0.946  1.0
  O  O30  1  0.714  0.167  0.163  1.0
  O  O31  1  0.207  0.665  0.166  1.0
  O  O32  1  0.410  0.454  0.168  1.0
  O  O33  1  0.321  0.071  0.057  1.0
  O  O34  1  0.274  0.827  0.831  1.0
  O  O35  1  0.779  0.325  0.839  1.0
  O  O36  1  0.577  0.528  0.831  1.0
  O  O37  1  0.045  0.307  0.099  1.0
  O  O38  1  0.311  0.552  0.622  1.0
  O  O39  1  0.807  0.056  0.625  1.0
  O  O40  1  0.316  0.272  0.337  1.0
  O  O41  1  0.010  0.560  0.327  1.0
  O  O42  1  0.509  0.069  0.323  1.0
  O  O43  1  0.475  0.223  0.552  1.0
  O  O44  1  0.976  0.725  0.553  1.0
  O  O45  1  0.033  0.286  0.448  1.0
  O  O46  1  0.201  0.251  0.675  1.0
  O  O47  1  0.438  0.180  0.888  1.0
  O  O48  1  0.185  0.432  0.944  1.0
  O  O49  1  0.077  0.032  0.832  1.0
[/CIF]
.
The material described by Li2Mn3(PO4)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(14), one O(15), one O(25), one O(3), one O(4), and one O(5) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(18), one O(2), one O(20), and one O(30) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(5)O6 pentagonal pyramid,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-73°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(21), one O(23), one O(26), one O(5), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(1), one O(13), one O(20), one O(23), one O(24), and one O(28) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(14), one O(2), one O(24), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the second Mn site, Mn(2) is bonded to one O(11), one O(17), one O(27), one O(32), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(4)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Mn site, Mn(3) is bonded to one O(13), one O(15), one O(16), one O(23), one O(25), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(17), one O(19), one O(21), one O(6), and one O(8) atom to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Mn site, Mn(5) is bonded to one O(18), one O(19), one O(26), one O(29), one O(30), and one O(6) atom to form distorted MnO6 pentagonal pyramids that share corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(4)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the sixth Mn site, Mn(6) is bonded to one O(18), one O(22), one O(29), one O(31), one O(32), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 pentagonal pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and  an edgeedge with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-73°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(13), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the second P site, P(2) is bonded to one O(24), one O(27), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the third P site, P(3) is bonded to one O(22), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(4)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 40-54°. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(20), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the fifth P site, P(5) is bonded to one O(11), one O(18), one O(19), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Mn(5)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-55°. In the sixth P site, P(6) is bonded to one O(10), one O(23), one O(25), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the seventh P site, P(7) is bonded to one O(21), one O(28), one O(29), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. In the eighth P site, P(8) is bonded to one O(16), one O(17), one O(30), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(4)O6 pentagonal pyramid,  a cornercorner with one Mn(5)O6 pentagonal pyramid, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(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(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(6), and one P(7) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(2), one Mn(4), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Mn(4), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Mn(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one P(8) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(2), one Mn(5), one Mn(6), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one P(5) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(4), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 120 degrees geometry to one Mn(6) and one P(3) atom. In the twenty-third O site, O(23) is bonded in a distorted tetrahedral geometry to one Li(3), one Li(4), one Mn(3), and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(6) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Li(3), one Mn(5), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Li(4) and one P(7) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one Mn(5), one Mn(6), and one P(7) atom. In the thirtieth O site, O(30) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 120 degrees geometry to one Mn(6) and one P(4) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(6), and one P(8) atom. is represented by the CIF card [CIF]
data_Li2Mn3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.645
_cell_length_b   7.705
_cell_length_c   10.964
_cell_angle_alpha   105.775
_cell_angle_beta   105.691
_cell_angle_gamma   101.812
_symmetry_Int_Tables_number   1
_cell_volume   570.678
_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  0.528  0.782  0.269  1.0
  Li  Li1  1  0.771  0.252  0.012  1.0
  Li  Li2  1  0.480  0.521  0.485  1.0
  Li  Li3  1  0.031  0.276  0.269  1.0
  Mn  Mn4  1  0.003  0.749  0.225  1.0
  Mn  Mn5  1  0.956  0.705  0.720  1.0
  Mn  Mn6  1  0.502  0.254  0.222  1.0
  Mn  Mn7  1  0.490  0.742  0.791  1.0
  Mn  Mn8  1  0.446  0.197  0.715  1.0
  Mn  Mn9  1  0.996  0.246  0.786  1.0
  P  P10  1  0.710  0.952  0.098  1.0
  P  P11  1  0.872  0.622  0.400  1.0
  P  P12  1  0.639  0.889  0.600  1.0
  P  P13  1  0.204  0.457  0.094  1.0
  P  P14  1  0.784  0.536  0.905  1.0
  P  P15  1  0.369  0.118  0.397  1.0
  P  P16  1  0.135  0.385  0.597  1.0
  P  P17  1  0.283  0.035  0.906  1.0
  O  O18  1  0.920  0.952  0.165  1.0
  O  O19  1  0.819  0.565  0.056  1.0
  O  O20  1  0.557  0.806  0.106  1.0
  O  O21  1  0.820  0.763  0.327  1.0
  O  O22  1  0.532  0.775  0.452  1.0
  O  O23  1  0.504  0.953  0.678  1.0
  O  O24  1  0.003  0.453  0.676  1.0
  O  O25  1  0.698  0.744  0.671  1.0
  O  O26  1  0.697  0.460  0.381  1.0
  O  O27  1  0.205  0.950  0.378  1.0
  O  O28  1  0.934  0.681  0.886  1.0
  O  O29  1  0.684  0.936  0.946  1.0
  O  O30  1  0.714  0.167  0.163  1.0
  O  O31  1  0.207  0.665  0.166  1.0
  O  O32  1  0.410  0.454  0.168  1.0
  O  O33  1  0.321  0.071  0.057  1.0
  O  O34  1  0.274  0.827  0.831  1.0
  O  O35  1  0.779  0.325  0.839  1.0
  O  O36  1  0.577  0.528  0.831  1.0
  O  O37  1  0.045  0.307  0.099  1.0
  O  O38  1  0.311  0.552  0.622  1.0
  O  O39  1  0.807  0.056  0.625  1.0
  O  O40  1  0.316  0.272  0.337  1.0
  O  O41  1  0.010  0.560  0.327  1.0
  O  O42  1  0.509  0.069  0.323  1.0
  O  O43  1  0.475  0.223  0.552  1.0
  O  O44  1  0.976  0.725  0.553  1.0
  O  O45  1  0.033  0.286  0.448  1.0
  O  O46  1  0.201  0.251  0.675  1.0
  O  O47  1  0.438  0.180  0.888  1.0
  O  O48  1  0.185  0.432  0.944  1.0
  O  O49  1  0.077  0.032  0.832  1.0
[/CIF]
.