The structure described by LiMnPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(9) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the second P site, P(2) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   6.942
_cell_length_c   8.013
_cell_angle_alpha   89.800
_cell_angle_beta   91.297
_cell_angle_gamma   116.311
_symmetry_Int_Tables_number   1
_cell_volume   334.398
_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  0.289  0.797  0.434  1.0
  Li  Li1  1  0.222  0.277  0.067  1.0
  Li  Li2  1  0.778  0.723  0.933  1.0
  Li  Li3  1  0.711  0.203  0.566  1.0
  Mn  Mn4  1  0.246  0.497  0.748  1.0
  Mn  Mn5  1  0.246  0.997  0.753  1.0
  Mn  Mn6  1  0.754  0.003  0.247  1.0
  Mn  Mn7  1  0.754  0.503  0.252  1.0
  P  P8  1  0.240  0.754  0.084  1.0
  P  P9  1  0.261  0.245  0.416  1.0
  P  P10  1  0.739  0.755  0.584  1.0
  P  P11  1  0.760  0.246  0.916  1.0
  O  O12  1  0.136  0.867  0.969  1.0
  O  O13  1  0.079  0.640  0.228  1.0
  O  O14  1  0.231  0.742  0.669  1.0
  O  O15  1  0.289  0.590  0.984  1.0
  O  O16  1  0.198  0.395  0.520  1.0
  O  O17  1  0.446  0.922  0.180  1.0
  O  O18  1  0.061  0.084  0.311  1.0
  O  O19  1  0.267  0.256  0.832  1.0
  O  O20  1  0.644  0.881  0.471  1.0
  O  O21  1  0.429  0.371  0.280  1.0
  O  O22  1  0.571  0.629  0.720  1.0
  O  O23  1  0.356  0.119  0.529  1.0
  O  O24  1  0.733  0.744  0.168  1.0
  O  O25  1  0.939  0.916  0.689  1.0
  O  O26  1  0.554  0.078  0.820  1.0
  O  O27  1  0.802  0.605  0.480  1.0
  O  O28  1  0.711  0.410  0.016  1.0
  O  O29  1  0.769  0.258  0.331  1.0
  O  O30  1  0.921  0.360  0.772  1.0
  O  O31  1  0.864  0.133  0.031  1.0
[/CIF]
.
The structure described by LiMnPO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(9) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the second P site, P(2) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   6.942
_cell_length_c   8.013
_cell_angle_alpha   89.800
_cell_angle_beta   91.297
_cell_angle_gamma   116.311
_symmetry_Int_Tables_number   1
_cell_volume   334.398
_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  0.289  0.797  0.434  1.0
  Li  Li1  1  0.222  0.277  0.067  1.0
  Li  Li2  1  0.778  0.723  0.933  1.0
  Li  Li3  1  0.711  0.203  0.566  1.0
  Mn  Mn4  1  0.246  0.497  0.748  1.0
  Mn  Mn5  1  0.246  0.997  0.753  1.0
  Mn  Mn6  1  0.754  0.003  0.247  1.0
  Mn  Mn7  1  0.754  0.503  0.252  1.0
  P  P8  1  0.240  0.754  0.084  1.0
  P  P9  1  0.261  0.245  0.416  1.0
  P  P10  1  0.739  0.755  0.584  1.0
  P  P11  1  0.760  0.246  0.916  1.0
  O  O12  1  0.136  0.867  0.969  1.0
  O  O13  1  0.079  0.640  0.228  1.0
  O  O14  1  0.231  0.742  0.669  1.0
  O  O15  1  0.289  0.590  0.984  1.0
  O  O16  1  0.198  0.395  0.520  1.0
  O  O17  1  0.446  0.922  0.180  1.0
  O  O18  1  0.061  0.084  0.311  1.0
  O  O19  1  0.267  0.256  0.832  1.0
  O  O20  1  0.644  0.881  0.471  1.0
  O  O21  1  0.429  0.371  0.280  1.0
  O  O22  1  0.571  0.629  0.720  1.0
  O  O23  1  0.356  0.119  0.529  1.0
  O  O24  1  0.733  0.744  0.168  1.0
  O  O25  1  0.939  0.916  0.689  1.0
  O  O26  1  0.554  0.078  0.820  1.0
  O  O27  1  0.802  0.605  0.480  1.0
  O  O28  1  0.711  0.410  0.016  1.0
  O  O29  1  0.769  0.258  0.331  1.0
  O  O30  1  0.921  0.360  0.772  1.0
  O  O31  1  0.864  0.133  0.031  1.0
[/CIF]
.