The material described by LiMnPO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.288
_cell_length_b   7.106
_cell_length_c   7.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.845
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.250  0.141  0.730  1.0
  Mn  Mn5  1  0.750  0.359  0.230  1.0
  Mn  Mn6  1  0.250  0.641  0.770  1.0
  Mn  Mn7  1  0.750  0.859  0.270  1.0
  P  P8  1  0.750  0.124  0.620  1.0
  P  P9  1  0.250  0.376  0.120  1.0
  P  P10  1  0.750  0.624  0.880  1.0
  P  P11  1  0.250  0.876  0.380  1.0
  O  O12  1  0.250  0.062  0.488  1.0
  O  O13  1  0.750  0.108  0.161  1.0
  O  O14  1  0.558  0.130  0.750  1.0
  O  O15  1  0.942  0.130  0.750  1.0
  O  O16  1  0.250  0.201  0.995  1.0
  O  O17  1  0.750  0.299  0.495  1.0
  O  O18  1  0.058  0.370  0.250  1.0
  O  O19  1  0.442  0.370  0.250  1.0
  O  O20  1  0.250  0.392  0.661  1.0
  O  O21  1  0.750  0.438  0.988  1.0
  O  O22  1  0.250  0.562  0.012  1.0
  O  O23  1  0.750  0.608  0.339  1.0
  O  O24  1  0.558  0.630  0.750  1.0
  O  O25  1  0.942  0.630  0.750  1.0
  O  O26  1  0.250  0.701  0.505  1.0
  O  O27  1  0.750  0.799  0.005  1.0
  O  O28  1  0.058  0.870  0.250  1.0
  O  O29  1  0.442  0.870  0.250  1.0
  O  O30  1  0.250  0.892  0.839  1.0
  O  O31  1  0.750  0.938  0.512  1.0
[/CIF]
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The material described by LiMnPO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Li(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiMnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.288
_cell_length_b   7.106
_cell_length_c   7.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   331.845
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.500  0.500  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.250  0.141  0.730  1.0
  Mn  Mn5  1  0.750  0.359  0.230  1.0
  Mn  Mn6  1  0.250  0.641  0.770  1.0
  Mn  Mn7  1  0.750  0.859  0.270  1.0
  P  P8  1  0.750  0.124  0.620  1.0
  P  P9  1  0.250  0.376  0.120  1.0
  P  P10  1  0.750  0.624  0.880  1.0
  P  P11  1  0.250  0.876  0.380  1.0
  O  O12  1  0.250  0.062  0.488  1.0
  O  O13  1  0.750  0.108  0.161  1.0
  O  O14  1  0.558  0.130  0.750  1.0
  O  O15  1  0.942  0.130  0.750  1.0
  O  O16  1  0.250  0.201  0.995  1.0
  O  O17  1  0.750  0.299  0.495  1.0
  O  O18  1  0.058  0.370  0.250  1.0
  O  O19  1  0.442  0.370  0.250  1.0
  O  O20  1  0.250  0.392  0.661  1.0
  O  O21  1  0.750  0.438  0.988  1.0
  O  O22  1  0.250  0.562  0.012  1.0
  O  O23  1  0.750  0.608  0.339  1.0
  O  O24  1  0.558  0.630  0.750  1.0
  O  O25  1  0.942  0.630  0.750  1.0
  O  O26  1  0.250  0.701  0.505  1.0
  O  O27  1  0.750  0.799  0.005  1.0
  O  O28  1  0.058  0.870  0.250  1.0
  O  O29  1  0.442  0.870  0.250  1.0
  O  O30  1  0.250  0.892  0.839  1.0
  O  O31  1  0.750  0.938  0.512  1.0
[/CIF]
.