The structure described by LiMn2(PO4)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form MnO5 square pyramids that share corners with two 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(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(2)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), 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 Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the CIF file [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.599
_cell_length_b   5.252
_cell_length_c   7.491
_cell_angle_alpha   86.930
_cell_angle_beta   77.108
_cell_angle_gamma   76.589
_symmetry_Int_Tables_number   1
_cell_volume   171.562
_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  0.319  0.685  0.982  1.0
  Mn  Mn1  1  0.029  0.739  0.631  1.0
  Mn  Mn2  1  0.977  0.227  0.401  1.0
  O  O3  1  0.179  0.344  0.581  1.0
  O  O4  1  0.303  0.903  0.385  1.0
  O  O5  1  0.230  0.933  0.789  1.0
  O  O6  1  0.313  0.372  0.880  1.0
  O  O7  1  0.650  0.728  0.080  1.0
  O  O8  1  0.783  0.076  0.243  1.0
  O  O9  1  0.696  0.085  0.626  1.0
  O  O10  1  0.819  0.615  0.385  1.0
  P  P11  1  0.354  0.179  0.731  1.0
  P  P12  1  0.643  0.828  0.265  1.0
[/CIF]
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The structure described by LiMn2(PO4)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form MnO5 square pyramids that share corners with two 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(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(2)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), 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 Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the CIF file [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.599
_cell_length_b   5.252
_cell_length_c   7.491
_cell_angle_alpha   86.930
_cell_angle_beta   77.108
_cell_angle_gamma   76.589
_symmetry_Int_Tables_number   1
_cell_volume   171.562
_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  0.319  0.685  0.982  1.0
  Mn  Mn1  1  0.029  0.739  0.631  1.0
  Mn  Mn2  1  0.977  0.227  0.401  1.0
  O  O3  1  0.179  0.344  0.581  1.0
  O  O4  1  0.303  0.903  0.385  1.0
  O  O5  1  0.230  0.933  0.789  1.0
  O  O6  1  0.313  0.372  0.880  1.0
  O  O7  1  0.650  0.728  0.080  1.0
  O  O8  1  0.783  0.076  0.243  1.0
  O  O9  1  0.696  0.085  0.626  1.0
  O  O10  1  0.819  0.615  0.385  1.0
  P  P11  1  0.354  0.179  0.731  1.0
  P  P12  1  0.643  0.828  0.265  1.0
[/CIF]
.