The crystal structure described by LiMn2Fe2(PO4)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(15), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(9) atom to form distorted FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(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  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(16) atom to form distorted FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(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 43-55°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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 Mn(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2Fe2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   5.914
_cell_length_c   4.941
_cell_angle_alpha   90.035
_cell_angle_beta   90.021
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   297.639
_cell_formula_units_Z   1
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  0.052  0.750  0.074  1.0
  Mn  Mn1  1  0.235  0.749  0.485  1.0
  Mn  Mn2  1  0.286  0.249  0.943  1.0
  Fe  Fe3  1  0.721  0.750  0.036  1.0
  Fe  Fe4  1  0.772  0.250  0.534  1.0
  P  P5  1  0.095  0.250  0.402  1.0
  P  P6  1  0.412  0.750  0.921  1.0
  P  P7  1  0.599  0.250  0.084  1.0
  P  P8  1  0.898  0.750  0.592  1.0
  O  O9  1  0.041  0.750  0.679  1.0
  O  O10  1  0.128  0.251  0.704  1.0
  O  O11  1  0.155  0.038  0.254  1.0
  O  O12  1  0.156  0.461  0.253  1.0
  O  O13  1  0.338  0.550  0.772  1.0
  O  O14  1  0.337  0.950  0.772  1.0
  O  O15  1  0.391  0.750  0.222  1.0
  O  O16  1  0.454  0.250  0.154  1.0
  O  O17  1  0.558  0.751  0.845  1.0
  O  O18  1  0.623  0.250  0.779  1.0
  O  O19  1  0.674  0.048  0.229  1.0
  O  O20  1  0.674  0.452  0.229  1.0
  O  O21  1  0.821  0.548  0.730  1.0
  O  O22  1  0.821  0.952  0.730  1.0
  O  O23  1  0.883  0.750  0.281  1.0
  O  O24  1  0.944  0.250  0.365  1.0
[/CIF]
.
The crystal structure described by LiMn2Fe2(PO4)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(15), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 65-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(9) atom to form distorted FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(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  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(16) atom to form distorted FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-59°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(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 43-55°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), 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 Mn(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Fe(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2Fe2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.187
_cell_length_b   5.914
_cell_length_c   4.941
_cell_angle_alpha   90.035
_cell_angle_beta   90.021
_cell_angle_gamma   89.964
_symmetry_Int_Tables_number   1
_cell_volume   297.639
_cell_formula_units_Z   1
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  0.052  0.750  0.074  1.0
  Mn  Mn1  1  0.235  0.749  0.485  1.0
  Mn  Mn2  1  0.286  0.249  0.943  1.0
  Fe  Fe3  1  0.721  0.750  0.036  1.0
  Fe  Fe4  1  0.772  0.250  0.534  1.0
  P  P5  1  0.095  0.250  0.402  1.0
  P  P6  1  0.412  0.750  0.921  1.0
  P  P7  1  0.599  0.250  0.084  1.0
  P  P8  1  0.898  0.750  0.592  1.0
  O  O9  1  0.041  0.750  0.679  1.0
  O  O10  1  0.128  0.251  0.704  1.0
  O  O11  1  0.155  0.038  0.254  1.0
  O  O12  1  0.156  0.461  0.253  1.0
  O  O13  1  0.338  0.550  0.772  1.0
  O  O14  1  0.337  0.950  0.772  1.0
  O  O15  1  0.391  0.750  0.222  1.0
  O  O16  1  0.454  0.250  0.154  1.0
  O  O17  1  0.558  0.751  0.845  1.0
  O  O18  1  0.623  0.250  0.779  1.0
  O  O19  1  0.674  0.048  0.229  1.0
  O  O20  1  0.674  0.452  0.229  1.0
  O  O21  1  0.821  0.548  0.730  1.0
  O  O22  1  0.821  0.952  0.730  1.0
  O  O23  1  0.883  0.750  0.281  1.0
  O  O24  1  0.944  0.250  0.365  1.0
[/CIF]
.