The material structure described by LiMn(PO4)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)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 three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-49°. There are eight 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiMn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.207
_cell_length_c   8.966
_cell_angle_alpha   70.239
_cell_angle_beta   75.220
_cell_angle_gamma   98.224
_symmetry_Int_Tables_number   1
_cell_volume   304.195
_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  0.162  0.393  0.492  1.0
  Li  Li1  1  0.615  0.346  0.992  1.0
  Mn  Mn2  1  0.147  0.899  0.753  1.0
  Mn  Mn3  1  0.849  0.100  0.253  1.0
  P  P4  1  0.287  0.981  0.355  1.0
  P  P5  1  0.164  0.358  0.855  1.0
  P  P6  1  0.841  0.642  0.150  1.0
  P  P7  1  0.708  0.009  0.650  1.0
  O  O8  1  0.054  0.785  0.992  1.0
  O  O9  1  0.156  0.118  0.243  1.0
  O  O10  1  0.241  0.723  0.391  1.0
  O  O11  1  0.139  0.601  0.743  1.0
  O  O12  1  0.248  0.057  0.507  1.0
  O  O13  1  0.159  0.224  0.734  1.0
  O  O14  1  0.627  0.566  0.105  1.0
  O  O15  1  0.542  0.108  0.234  1.0
  O  O16  1  0.456  0.937  0.762  1.0
  O  O17  1  0.387  0.368  0.891  1.0
  O  O18  1  0.802  0.782  0.262  1.0
  O  O19  1  0.723  0.953  0.492  1.0
  O  O20  1  0.888  0.410  0.261  1.0
  O  O21  1  0.829  0.268  0.605  1.0
  O  O22  1  0.829  0.851  0.761  1.0
  O  O23  1  0.936  0.244  0.007  1.0
[/CIF]
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The material structure described by LiMn(PO4)2 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)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 three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second P site, P(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-49°. There are eight 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(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiMn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.207
_cell_length_c   8.966
_cell_angle_alpha   70.239
_cell_angle_beta   75.220
_cell_angle_gamma   98.224
_symmetry_Int_Tables_number   1
_cell_volume   304.195
_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  0.162  0.393  0.492  1.0
  Li  Li1  1  0.615  0.346  0.992  1.0
  Mn  Mn2  1  0.147  0.899  0.753  1.0
  Mn  Mn3  1  0.849  0.100  0.253  1.0
  P  P4  1  0.287  0.981  0.355  1.0
  P  P5  1  0.164  0.358  0.855  1.0
  P  P6  1  0.841  0.642  0.150  1.0
  P  P7  1  0.708  0.009  0.650  1.0
  O  O8  1  0.054  0.785  0.992  1.0
  O  O9  1  0.156  0.118  0.243  1.0
  O  O10  1  0.241  0.723  0.391  1.0
  O  O11  1  0.139  0.601  0.743  1.0
  O  O12  1  0.248  0.057  0.507  1.0
  O  O13  1  0.159  0.224  0.734  1.0
  O  O14  1  0.627  0.566  0.105  1.0
  O  O15  1  0.542  0.108  0.234  1.0
  O  O16  1  0.456  0.937  0.762  1.0
  O  O17  1  0.387  0.368  0.891  1.0
  O  O18  1  0.802  0.782  0.262  1.0
  O  O19  1  0.723  0.953  0.492  1.0
  O  O20  1  0.888  0.410  0.261  1.0
  O  O21  1  0.829  0.268  0.605  1.0
  O  O22  1  0.829  0.851  0.761  1.0
  O  O23  1  0.936  0.244  0.007  1.0
[/CIF]
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