The structure described by Li2MnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Mn(1) is bonded in a 1-coordinate geometry to one O(2), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(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 Li(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.432
_cell_length_b   6.620
_cell_length_c   8.981
_cell_angle_alpha   109.032
_cell_angle_beta   96.204
_cell_angle_gamma   107.696
_symmetry_Int_Tables_number   1
_cell_volume   283.045
_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  0.169  0.817  0.968  1.0
  Li  Li1  1  0.551  0.459  0.767  1.0
  Li  Li2  1  0.449  0.541  0.233  1.0
  Li  Li3  1  0.831  0.183  0.032  1.0
  Mn  Mn4  1  0.750  0.245  0.367  1.0
  Mn  Mn5  1  0.250  0.755  0.633  1.0
  P  P6  1  0.838  0.753  0.400  1.0
  P  P7  1  0.716  0.830  0.875  1.0
  P  P8  1  0.284  0.170  0.125  1.0
  P  P9  1  0.162  0.247  0.600  1.0
  O  O10  1  0.730  0.568  0.331  1.0
  O  O11  1  0.649  0.887  0.422  1.0
  O  O12  1  0.452  0.721  0.842  1.0
  O  O13  1  0.084  0.292  0.151  1.0
  O  O14  1  0.342  0.142  0.958  1.0
  O  O15  1  0.098  0.325  0.450  1.0
  O  O16  1  0.867  0.082  0.743  1.0
  O  O17  1  0.133  0.918  0.257  1.0
  O  O18  1  0.902  0.675  0.550  1.0
  O  O19  1  0.658  0.858  0.042  1.0
  O  O20  1  0.916  0.708  0.849  1.0
  O  O21  1  0.548  0.279  0.158  1.0
  O  O22  1  0.351  0.113  0.578  1.0
  O  O23  1  0.270  0.432  0.669  1.0
[/CIF]
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The structure described by Li2MnP2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Mn(1) is bonded in a 1-coordinate geometry to one O(2), one O(3), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(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 Li(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.432
_cell_length_b   6.620
_cell_length_c   8.981
_cell_angle_alpha   109.032
_cell_angle_beta   96.204
_cell_angle_gamma   107.696
_symmetry_Int_Tables_number   1
_cell_volume   283.045
_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  0.169  0.817  0.968  1.0
  Li  Li1  1  0.551  0.459  0.767  1.0
  Li  Li2  1  0.449  0.541  0.233  1.0
  Li  Li3  1  0.831  0.183  0.032  1.0
  Mn  Mn4  1  0.750  0.245  0.367  1.0
  Mn  Mn5  1  0.250  0.755  0.633  1.0
  P  P6  1  0.838  0.753  0.400  1.0
  P  P7  1  0.716  0.830  0.875  1.0
  P  P8  1  0.284  0.170  0.125  1.0
  P  P9  1  0.162  0.247  0.600  1.0
  O  O10  1  0.730  0.568  0.331  1.0
  O  O11  1  0.649  0.887  0.422  1.0
  O  O12  1  0.452  0.721  0.842  1.0
  O  O13  1  0.084  0.292  0.151  1.0
  O  O14  1  0.342  0.142  0.958  1.0
  O  O15  1  0.098  0.325  0.450  1.0
  O  O16  1  0.867  0.082  0.743  1.0
  O  O17  1  0.133  0.918  0.257  1.0
  O  O18  1  0.902  0.675  0.550  1.0
  O  O19  1  0.658  0.858  0.042  1.0
  O  O20  1  0.916  0.708  0.849  1.0
  O  O21  1  0.548  0.279  0.158  1.0
  O  O22  1  0.351  0.113  0.578  1.0
  O  O23  1  0.270  0.432  0.669  1.0
[/CIF]
.