The compound described by Li2Mn(PO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(5) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. 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(6) atom to form PO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. 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 Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Mn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   7.113
_cell_length_c   7.534
_cell_angle_alpha   113.785
_cell_angle_beta   83.766
_cell_angle_gamma   107.989
_symmetry_Int_Tables_number   1
_cell_volume   233.204
_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  0.965  0.260  0.450  1.0
  Li  Li1  1  0.035  0.740  0.550  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.563  0.194  0.789  1.0
  P  P4  1  0.435  0.601  0.782  1.0
  P  P5  1  0.437  0.806  0.211  1.0
  P  P6  1  0.565  0.399  0.218  1.0
  O  O7  1  0.725  0.752  0.783  1.0
  O  O8  1  0.786  0.144  0.647  1.0
  O  O9  1  0.706  0.299  0.007  1.0
  O  O10  1  0.294  0.701  0.993  1.0
  O  O11  1  0.704  0.981  0.214  1.0
  O  O12  1  0.214  0.856  0.353  1.0
  O  O13  1  0.223  0.544  0.630  1.0
  O  O14  1  0.275  0.248  0.217  1.0
  O  O15  1  0.465  0.386  0.785  1.0
  O  O16  1  0.535  0.614  0.215  1.0
  O  O17  1  0.777  0.456  0.370  1.0
  O  O18  1  0.296  0.019  0.786  1.0
[/CIF]
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The compound described by Li2Mn(PO3)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(5) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. 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(6) atom to form PO4 tetrahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent Li(1)O5 trigonal bipyramids. 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 Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Mn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   7.113
_cell_length_c   7.534
_cell_angle_alpha   113.785
_cell_angle_beta   83.766
_cell_angle_gamma   107.989
_symmetry_Int_Tables_number   1
_cell_volume   233.204
_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  0.965  0.260  0.450  1.0
  Li  Li1  1  0.035  0.740  0.550  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.563  0.194  0.789  1.0
  P  P4  1  0.435  0.601  0.782  1.0
  P  P5  1  0.437  0.806  0.211  1.0
  P  P6  1  0.565  0.399  0.218  1.0
  O  O7  1  0.725  0.752  0.783  1.0
  O  O8  1  0.786  0.144  0.647  1.0
  O  O9  1  0.706  0.299  0.007  1.0
  O  O10  1  0.294  0.701  0.993  1.0
  O  O11  1  0.704  0.981  0.214  1.0
  O  O12  1  0.214  0.856  0.353  1.0
  O  O13  1  0.223  0.544  0.630  1.0
  O  O14  1  0.275  0.248  0.217  1.0
  O  O15  1  0.465  0.386  0.785  1.0
  O  O16  1  0.535  0.614  0.215  1.0
  O  O17  1  0.777  0.456  0.370  1.0
  O  O18  1  0.296  0.019  0.786  1.0
[/CIF]
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