The material described by LiMn(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(6) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiMn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.696
_cell_length_b   8.696
_cell_length_c   9.168
_cell_angle_alpha   62.197
_cell_angle_beta   62.197
_cell_angle_gamma   54.493
_symmetry_Int_Tables_number   1
_cell_volume   480.474
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.324  0.676  0.750  1.0
  Mn  Mn3  1  0.676  0.324  0.250  1.0
  P  P4  1  0.302  0.427  0.138  1.0
  P  P5  1  0.654  0.051  0.104  1.0
  P  P6  1  0.949  0.346  0.396  1.0
  P  P7  1  0.573  0.698  0.362  1.0
  P  P8  1  0.427  0.302  0.638  1.0
  P  P9  1  0.051  0.654  0.604  1.0
  P  P10  1  0.346  0.949  0.896  1.0
  P  P11  1  0.698  0.573  0.862  1.0
  O  O12  1  0.720  0.078  0.214  1.0
  O  O13  1  0.207  0.588  0.994  1.0
  O  O14  1  0.131  0.395  0.297  1.0
  O  O15  1  0.436  0.224  0.086  1.0
  O  O16  1  0.590  0.538  0.804  1.0
  O  O17  1  0.776  0.564  0.414  1.0
  O  O18  1  0.605  0.869  0.203  1.0
  O  O19  1  0.978  0.201  0.564  1.0
  O  O20  1  0.412  0.793  0.506  1.0
  O  O21  1  0.799  0.022  0.936  1.0
  O  O22  1  0.922  0.280  0.286  1.0
  O  O23  1  0.462  0.410  0.696  1.0
  O  O24  1  0.538  0.590  0.304  1.0
  O  O25  1  0.078  0.720  0.714  1.0
  O  O26  1  0.201  0.978  0.064  1.0
  O  O27  1  0.588  0.207  0.494  1.0
  O  O28  1  0.022  0.799  0.436  1.0
  O  O29  1  0.395  0.131  0.797  1.0
  O  O30  1  0.224  0.436  0.586  1.0
  O  O31  1  0.410  0.462  0.196  1.0
  O  O32  1  0.564  0.776  0.914  1.0
  O  O33  1  0.869  0.605  0.703  1.0
  O  O34  1  0.793  0.412  0.006  1.0
  O  O35  1  0.280  0.922  0.786  1.0
[/CIF]
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The material described by LiMn(PO3)4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(6) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-49°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Li(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiMn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.696
_cell_length_b   8.696
_cell_length_c   9.168
_cell_angle_alpha   62.197
_cell_angle_beta   62.197
_cell_angle_gamma   54.493
_symmetry_Int_Tables_number   1
_cell_volume   480.474
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.324  0.676  0.750  1.0
  Mn  Mn3  1  0.676  0.324  0.250  1.0
  P  P4  1  0.302  0.427  0.138  1.0
  P  P5  1  0.654  0.051  0.104  1.0
  P  P6  1  0.949  0.346  0.396  1.0
  P  P7  1  0.573  0.698  0.362  1.0
  P  P8  1  0.427  0.302  0.638  1.0
  P  P9  1  0.051  0.654  0.604  1.0
  P  P10  1  0.346  0.949  0.896  1.0
  P  P11  1  0.698  0.573  0.862  1.0
  O  O12  1  0.720  0.078  0.214  1.0
  O  O13  1  0.207  0.588  0.994  1.0
  O  O14  1  0.131  0.395  0.297  1.0
  O  O15  1  0.436  0.224  0.086  1.0
  O  O16  1  0.590  0.538  0.804  1.0
  O  O17  1  0.776  0.564  0.414  1.0
  O  O18  1  0.605  0.869  0.203  1.0
  O  O19  1  0.978  0.201  0.564  1.0
  O  O20  1  0.412  0.793  0.506  1.0
  O  O21  1  0.799  0.022  0.936  1.0
  O  O22  1  0.922  0.280  0.286  1.0
  O  O23  1  0.462  0.410  0.696  1.0
  O  O24  1  0.538  0.590  0.304  1.0
  O  O25  1  0.078  0.720  0.714  1.0
  O  O26  1  0.201  0.978  0.064  1.0
  O  O27  1  0.588  0.207  0.494  1.0
  O  O28  1  0.022  0.799  0.436  1.0
  O  O29  1  0.395  0.131  0.797  1.0
  O  O30  1  0.224  0.436  0.586  1.0
  O  O31  1  0.410  0.462  0.196  1.0
  O  O32  1  0.564  0.776  0.914  1.0
  O  O33  1  0.869  0.605  0.703  1.0
  O  O34  1  0.793  0.412  0.006  1.0
  O  O35  1  0.280  0.922  0.786  1.0
[/CIF]
.