The material described by Li2MnFe(PO4)2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-69°. Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-68°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-69°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the second P site, P(2) is bonded to one O(1), one O(3), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2MnFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.772
_cell_length_b   10.531
_cell_length_c   6.118
_cell_angle_alpha   89.992
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   307.481
_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  0.999  0.001  0.001  1.0
  Li  Li1  1  0.999  0.001  0.499  1.0
  Li  Li2  1  0.501  0.501  0.001  1.0
  Li  Li3  1  0.501  0.501  0.499  1.0
  Mn  Mn4  1  0.021  0.719  0.750  1.0
  Mn  Mn5  1  0.479  0.219  0.750  1.0
  Fe  Fe6  1  0.976  0.281  0.250  1.0
  Fe  Fe7  1  0.524  0.781  0.250  1.0
  P  P8  1  0.412  0.093  0.250  1.0
  P  P9  1  0.088  0.594  0.250  1.0
  P  P10  1  0.919  0.407  0.750  1.0
  P  P11  1  0.581  0.907  0.750  1.0
  O  O12  1  0.710  0.042  0.750  1.0
  O  O13  1  0.790  0.542  0.750  1.0
  O  O14  1  0.734  0.098  0.250  1.0
  O  O15  1  0.766  0.598  0.250  1.0
  O  O16  1  0.241  0.406  0.750  1.0
  O  O17  1  0.259  0.906  0.750  1.0
  O  O18  1  0.208  0.456  0.250  1.0
  O  O19  1  0.292  0.956  0.250  1.0
  O  O20  1  0.276  0.163  0.048  1.0
  O  O21  1  0.276  0.163  0.452  1.0
  O  O22  1  0.224  0.663  0.048  1.0
  O  O23  1  0.224  0.663  0.452  1.0
  O  O24  1  0.790  0.336  0.548  1.0
  O  O25  1  0.790  0.336  0.953  1.0
  O  O26  1  0.710  0.836  0.548  1.0
  O  O27  1  0.710  0.836  0.953  1.0
[/CIF]
.
The material described by Li2MnFe(PO4)2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-69°. Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-68°. Fe(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-69°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the second P site, P(2) is bonded to one O(1), one O(3), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Fe(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2MnFe(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.772
_cell_length_b   10.531
_cell_length_c   6.118
_cell_angle_alpha   89.992
_cell_angle_beta   90.000
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   307.481
_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  0.999  0.001  0.001  1.0
  Li  Li1  1  0.999  0.001  0.499  1.0
  Li  Li2  1  0.501  0.501  0.001  1.0
  Li  Li3  1  0.501  0.501  0.499  1.0
  Mn  Mn4  1  0.021  0.719  0.750  1.0
  Mn  Mn5  1  0.479  0.219  0.750  1.0
  Fe  Fe6  1  0.976  0.281  0.250  1.0
  Fe  Fe7  1  0.524  0.781  0.250  1.0
  P  P8  1  0.412  0.093  0.250  1.0
  P  P9  1  0.088  0.594  0.250  1.0
  P  P10  1  0.919  0.407  0.750  1.0
  P  P11  1  0.581  0.907  0.750  1.0
  O  O12  1  0.710  0.042  0.750  1.0
  O  O13  1  0.790  0.542  0.750  1.0
  O  O14  1  0.734  0.098  0.250  1.0
  O  O15  1  0.766  0.598  0.250  1.0
  O  O16  1  0.241  0.406  0.750  1.0
  O  O17  1  0.259  0.906  0.750  1.0
  O  O18  1  0.208  0.456  0.250  1.0
  O  O19  1  0.292  0.956  0.250  1.0
  O  O20  1  0.276  0.163  0.048  1.0
  O  O21  1  0.276  0.163  0.452  1.0
  O  O22  1  0.224  0.663  0.048  1.0
  O  O23  1  0.224  0.663  0.452  1.0
  O  O24  1  0.790  0.336  0.548  1.0
  O  O25  1  0.790  0.336  0.953  1.0
  O  O26  1  0.710  0.836  0.548  1.0
  O  O27  1  0.710  0.836  0.953  1.0
[/CIF]
.