The crystal structure described by Li2MnP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, 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(3) atoms. 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  a cornercorner with one P(1)O4 tetrahedra and corners with five equivalent Li(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   7.745
_cell_length_c   8.009
_cell_angle_alpha   64.946
_cell_angle_beta   64.946
_cell_angle_gamma   42.925
_symmetry_Int_Tables_number   1
_cell_volume   291.355
_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  0.926  0.621  0.807  1.0
  Li  Li1  1  0.379  0.074  0.693  1.0
  Li  Li2  1  0.621  0.926  0.307  1.0
  Li  Li3  1  0.074  0.379  0.193  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.524  0.247  0.858  1.0
  P  P7  1  0.247  0.524  0.358  1.0
  P  P8  1  0.753  0.476  0.642  1.0
  P  P9  1  0.476  0.753  0.142  1.0
  O  O10  1  0.693  0.061  0.718  1.0
  O  O11  1  0.248  0.364  0.914  1.0
  O  O12  1  0.118  0.653  0.527  1.0
  O  O13  1  0.061  0.693  0.218  1.0
  O  O14  1  0.364  0.248  0.414  1.0
  O  O15  1  0.653  0.118  0.027  1.0
  O  O16  1  0.347  0.882  0.973  1.0
  O  O17  1  0.636  0.752  0.586  1.0
  O  O18  1  0.939  0.307  0.782  1.0
  O  O19  1  0.882  0.347  0.473  1.0
  O  O20  1  0.752  0.636  0.086  1.0
  O  O21  1  0.307  0.939  0.282  1.0
  O  O22  1  0.509  0.491  0.750  1.0
  O  O23  1  0.491  0.509  0.250  1.0
[/CIF]
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The crystal structure described by Li2MnP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with five equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, 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(3) atoms. 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  a cornercorner with one P(1)O4 tetrahedra and corners with five equivalent Li(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.745
_cell_length_b   7.745
_cell_length_c   8.009
_cell_angle_alpha   64.946
_cell_angle_beta   64.946
_cell_angle_gamma   42.925
_symmetry_Int_Tables_number   1
_cell_volume   291.355
_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  0.926  0.621  0.807  1.0
  Li  Li1  1  0.379  0.074  0.693  1.0
  Li  Li2  1  0.621  0.926  0.307  1.0
  Li  Li3  1  0.074  0.379  0.193  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.524  0.247  0.858  1.0
  P  P7  1  0.247  0.524  0.358  1.0
  P  P8  1  0.753  0.476  0.642  1.0
  P  P9  1  0.476  0.753  0.142  1.0
  O  O10  1  0.693  0.061  0.718  1.0
  O  O11  1  0.248  0.364  0.914  1.0
  O  O12  1  0.118  0.653  0.527  1.0
  O  O13  1  0.061  0.693  0.218  1.0
  O  O14  1  0.364  0.248  0.414  1.0
  O  O15  1  0.653  0.118  0.027  1.0
  O  O16  1  0.347  0.882  0.973  1.0
  O  O17  1  0.636  0.752  0.586  1.0
  O  O18  1  0.939  0.307  0.782  1.0
  O  O19  1  0.882  0.347  0.473  1.0
  O  O20  1  0.752  0.636  0.086  1.0
  O  O21  1  0.307  0.939  0.282  1.0
  O  O22  1  0.509  0.491  0.750  1.0
  O  O23  1  0.491  0.509  0.250  1.0
[/CIF]
.