The compound described by LiMn(PO4)2 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(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   5.053
_cell_length_c   13.580
_cell_angle_alpha   97.310
_cell_angle_beta   90.000
_cell_angle_gamma   62.257
_symmetry_Int_Tables_number   1
_cell_volume   282.726
_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  0.956  0.000  0.750  1.0
  Li  Li1  1  0.044  0.000  0.250  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  P  P4  1  0.677  0.694  0.111  1.0
  P  P5  1  0.629  0.694  0.611  1.0
  P  P6  1  0.371  0.306  0.389  1.0
  P  P7  1  0.323  0.306  0.889  1.0
  O  O8  1  0.869  0.879  0.117  1.0
  O  O9  1  0.746  0.730  0.715  1.0
  O  O10  1  0.772  0.790  0.530  1.0
  O  O11  1  0.938  0.357  0.085  1.0
  O  O12  1  0.705  0.357  0.585  1.0
  O  O13  1  0.438  0.790  0.030  1.0
  O  O14  1  0.524  0.730  0.215  1.0
  O  O15  1  0.252  0.879  0.617  1.0
  O  O16  1  0.748  0.121  0.383  1.0
  O  O17  1  0.476  0.270  0.785  1.0
  O  O18  1  0.562  0.210  0.970  1.0
  O  O19  1  0.295  0.643  0.415  1.0
  O  O20  1  0.062  0.643  0.915  1.0
  O  O21  1  0.228  0.210  0.470  1.0
  O  O22  1  0.254  0.270  0.285  1.0
  O  O23  1  0.131  0.121  0.883  1.0
[/CIF]
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The compound described by LiMn(PO4)2 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(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.704
_cell_length_b   5.053
_cell_length_c   13.580
_cell_angle_alpha   97.310
_cell_angle_beta   90.000
_cell_angle_gamma   62.257
_symmetry_Int_Tables_number   1
_cell_volume   282.726
_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  0.956  0.000  0.750  1.0
  Li  Li1  1  0.044  0.000  0.250  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  P  P4  1  0.677  0.694  0.111  1.0
  P  P5  1  0.629  0.694  0.611  1.0
  P  P6  1  0.371  0.306  0.389  1.0
  P  P7  1  0.323  0.306  0.889  1.0
  O  O8  1  0.869  0.879  0.117  1.0
  O  O9  1  0.746  0.730  0.715  1.0
  O  O10  1  0.772  0.790  0.530  1.0
  O  O11  1  0.938  0.357  0.085  1.0
  O  O12  1  0.705  0.357  0.585  1.0
  O  O13  1  0.438  0.790  0.030  1.0
  O  O14  1  0.524  0.730  0.215  1.0
  O  O15  1  0.252  0.879  0.617  1.0
  O  O16  1  0.748  0.121  0.383  1.0
  O  O17  1  0.476  0.270  0.785  1.0
  O  O18  1  0.562  0.210  0.970  1.0
  O  O19  1  0.295  0.643  0.415  1.0
  O  O20  1  0.062  0.643  0.915  1.0
  O  O21  1  0.228  0.210  0.470  1.0
  O  O22  1  0.254  0.270  0.285  1.0
  O  O23  1  0.131  0.121  0.883  1.0
[/CIF]
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