The structure described by Li2MnP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a water-like geometry to one O(1) and one O(3) atom. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 120 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.453
_cell_length_b   5.453
_cell_length_c   11.784
_cell_angle_alpha   77.953
_cell_angle_beta   77.953
_cell_angle_gamma   56.077
_symmetry_Int_Tables_number   1
_cell_volume   282.514
_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  0.101  0.631  0.638  1.0
  Li  Li1  1  0.369  0.899  0.862  1.0
  Li  Li2  1  0.631  0.101  0.138  1.0
  Li  Li3  1  0.899  0.369  0.362  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.265  0.666  0.374  1.0
  P  P7  1  0.334  0.735  0.126  1.0
  P  P8  1  0.666  0.265  0.874  1.0
  P  P9  1  0.735  0.334  0.626  1.0
  O  O10  1  0.501  0.273  0.611  1.0
  O  O11  1  0.660  0.592  0.145  1.0
  O  O12  1  0.221  0.004  0.034  1.0
  O  O13  1  0.131  0.869  0.250  1.0
  O  O14  1  0.727  0.499  0.889  1.0
  O  O15  1  0.996  0.779  0.466  1.0
  O  O16  1  0.408  0.340  0.355  1.0
  O  O17  1  0.592  0.660  0.645  1.0
  O  O18  1  0.004  0.221  0.534  1.0
  O  O19  1  0.273  0.501  0.111  1.0
  O  O20  1  0.869  0.131  0.750  1.0
  O  O21  1  0.779  0.996  0.966  1.0
  O  O22  1  0.340  0.408  0.855  1.0
  O  O23  1  0.499  0.727  0.389  1.0
[/CIF]
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The structure described by Li2MnP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a water-like geometry to one O(1) and one O(3) atom. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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 and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate 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 120 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.453
_cell_length_b   5.453
_cell_length_c   11.784
_cell_angle_alpha   77.953
_cell_angle_beta   77.953
_cell_angle_gamma   56.077
_symmetry_Int_Tables_number   1
_cell_volume   282.514
_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  0.101  0.631  0.638  1.0
  Li  Li1  1  0.369  0.899  0.862  1.0
  Li  Li2  1  0.631  0.101  0.138  1.0
  Li  Li3  1  0.899  0.369  0.362  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  P  P6  1  0.265  0.666  0.374  1.0
  P  P7  1  0.334  0.735  0.126  1.0
  P  P8  1  0.666  0.265  0.874  1.0
  P  P9  1  0.735  0.334  0.626  1.0
  O  O10  1  0.501  0.273  0.611  1.0
  O  O11  1  0.660  0.592  0.145  1.0
  O  O12  1  0.221  0.004  0.034  1.0
  O  O13  1  0.131  0.869  0.250  1.0
  O  O14  1  0.727  0.499  0.889  1.0
  O  O15  1  0.996  0.779  0.466  1.0
  O  O16  1  0.408  0.340  0.355  1.0
  O  O17  1  0.592  0.660  0.645  1.0
  O  O18  1  0.004  0.221  0.534  1.0
  O  O19  1  0.273  0.501  0.111  1.0
  O  O20  1  0.869  0.131  0.750  1.0
  O  O21  1  0.779  0.996  0.966  1.0
  O  O22  1  0.340  0.408  0.855  1.0
  O  O23  1  0.499  0.727  0.389  1.0
[/CIF]
.