The structure described by LiMn(PO3)3 crystallizes in the trigonal R3 space group. Li(1) is bonded in a distorted T-shaped geometry to three equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiMn(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   6.480
_cell_angle_alpha   107.464
_cell_angle_beta   107.428
_cell_angle_gamma   107.444
_symmetry_Int_Tables_number   1
_cell_volume   223.742
_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  0.652  0.652  0.652  1.0
  Mn  Mn1  1  0.029  0.029  0.029  1.0
  O  O2  1  0.357  0.104  0.713  1.0
  O  O3  1  0.713  0.357  0.104  1.0
  O  O4  1  0.104  0.713  0.357  1.0
  O  O5  1  0.871  0.627  0.921  1.0
  O  O6  1  0.627  0.921  0.871  1.0
  O  O7  1  0.921  0.871  0.627  1.0
  O  O8  1  0.037  0.086  0.371  1.0
  O  O9  1  0.371  0.037  0.086  1.0
  O  O10  1  0.086  0.371  0.036  1.0
  P  P11  1  0.514  0.084  0.948  1.0
  P  P12  1  0.948  0.514  0.084  1.0
  P  P13  1  0.084  0.948  0.514  1.0
[/CIF]
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The structure described by LiMn(PO3)3 crystallizes in the trigonal R3 space group. Li(1) is bonded in a distorted T-shaped geometry to three equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiMn(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.479
_cell_length_b   6.479
_cell_length_c   6.480
_cell_angle_alpha   107.464
_cell_angle_beta   107.428
_cell_angle_gamma   107.444
_symmetry_Int_Tables_number   1
_cell_volume   223.742
_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  0.652  0.652  0.652  1.0
  Mn  Mn1  1  0.029  0.029  0.029  1.0
  O  O2  1  0.357  0.104  0.713  1.0
  O  O3  1  0.713  0.357  0.104  1.0
  O  O4  1  0.104  0.713  0.357  1.0
  O  O5  1  0.871  0.627  0.921  1.0
  O  O6  1  0.627  0.921  0.871  1.0
  O  O7  1  0.921  0.871  0.627  1.0
  O  O8  1  0.037  0.086  0.371  1.0
  O  O9  1  0.371  0.037  0.086  1.0
  O  O10  1  0.086  0.371  0.036  1.0
  P  P11  1  0.514  0.084  0.948  1.0
  P  P12  1  0.948  0.514  0.084  1.0
  P  P13  1  0.084  0.948  0.514  1.0
[/CIF]
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