The structure described by Li2MnP2O7 crystallizes in the tetragonal P-42_1m space group. Li(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. Mn(1) is bonded to four equivalent O(3) atoms to form MnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   7.834
_cell_length_c   7.834
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.276
_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  0.453  0.774  0.726  1.0
  Li  Li1  1  0.547  0.726  0.226  1.0
  Li  Li2  1  0.547  0.274  0.774  1.0
  Li  Li3  1  0.453  0.226  0.274  1.0
  Mn  Mn4  1  1.000  0.000  0.000  1.0
  Mn  Mn5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.195  1.000  0.500  1.0
  O  O7  1  0.805  0.500  1.000  1.0
  O  O8  1  0.819  0.844  0.344  1.0
  O  O9  1  0.181  0.656  0.844  1.0
  O  O10  1  0.181  0.344  0.156  1.0
  O  O11  1  0.819  0.156  0.656  1.0
  O  O12  1  0.252  0.922  0.196  1.0
  O  O13  1  0.748  0.804  0.922  1.0
  O  O14  1  0.252  0.696  0.422  1.0
  O  O15  1  0.748  0.578  0.696  1.0
  O  O16  1  0.748  0.422  0.304  1.0
  O  O17  1  0.252  0.304  0.578  1.0
  O  O18  1  0.748  0.196  0.078  1.0
  O  O19  1  0.252  0.078  0.804  1.0
  P  P20  1  0.112  0.859  0.359  1.0
  P  P21  1  0.888  0.641  0.859  1.0
  P  P22  1  0.888  0.359  0.141  1.0
  P  P23  1  0.112  0.141  0.641  1.0
[/CIF]
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The structure described by Li2MnP2O7 crystallizes in the tetragonal P-42_1m space group. Li(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. Mn(1) is bonded to four equivalent O(3) atoms to form MnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Mn(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Li(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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   7.834
_cell_length_c   7.834
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.276
_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  0.453  0.774  0.726  1.0
  Li  Li1  1  0.547  0.726  0.226  1.0
  Li  Li2  1  0.547  0.274  0.774  1.0
  Li  Li3  1  0.453  0.226  0.274  1.0
  Mn  Mn4  1  1.000  0.000  0.000  1.0
  Mn  Mn5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.195  1.000  0.500  1.0
  O  O7  1  0.805  0.500  1.000  1.0
  O  O8  1  0.819  0.844  0.344  1.0
  O  O9  1  0.181  0.656  0.844  1.0
  O  O10  1  0.181  0.344  0.156  1.0
  O  O11  1  0.819  0.156  0.656  1.0
  O  O12  1  0.252  0.922  0.196  1.0
  O  O13  1  0.748  0.804  0.922  1.0
  O  O14  1  0.252  0.696  0.422  1.0
  O  O15  1  0.748  0.578  0.696  1.0
  O  O16  1  0.748  0.422  0.304  1.0
  O  O17  1  0.252  0.304  0.578  1.0
  O  O18  1  0.748  0.196  0.078  1.0
  O  O19  1  0.252  0.078  0.804  1.0
  P  P20  1  0.112  0.859  0.359  1.0
  P  P21  1  0.888  0.641  0.859  1.0
  P  P22  1  0.888  0.359  0.141  1.0
  P  P23  1  0.112  0.141  0.641  1.0
[/CIF]
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