The crystal structure described by Li2MnP2O7 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(7) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. Mn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. 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  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), 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   7.350
_cell_length_b   7.350
_cell_length_c   11.638
_cell_angle_alpha   89.060
_cell_angle_beta   89.060
_cell_angle_gamma   120.071
_symmetry_Int_Tables_number   1
_cell_volume   543.821
_cell_formula_units_Z   4
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  0.746  0.308  0.491  1.0
  Li  Li1  1  0.308  0.746  0.991  1.0
  Li  Li2  1  0.729  0.271  0.250  1.0
  Li  Li3  1  0.289  0.711  0.250  1.0
  Li  Li4  1  0.711  0.289  0.750  1.0
  Li  Li5  1  0.271  0.729  0.750  1.0
  Li  Li6  1  0.692  0.254  0.009  1.0
  Li  Li7  1  0.254  0.692  0.509  1.0
  Mn  Mn8  1  0.674  0.678  0.381  1.0
  Mn  Mn9  1  0.678  0.674  0.881  1.0
  Mn  Mn10  1  0.322  0.326  0.119  1.0
  Mn  Mn11  1  0.326  0.322  0.619  1.0
  P  P12  1  0.729  0.929  0.122  1.0
  P  P13  1  0.929  0.729  0.622  1.0
  P  P14  1  0.906  0.665  0.135  1.0
  P  P15  1  0.665  0.906  0.635  1.0
  P  P16  1  0.335  0.094  0.365  1.0
  P  P17  1  0.094  0.335  0.865  1.0
  P  P18  1  0.071  0.271  0.378  1.0
  P  P19  1  0.271  0.071  0.878  1.0
  O  O20  1  0.938  0.903  0.123  1.0
  O  O21  1  0.903  0.938  0.623  1.0
  O  O22  1  0.617  0.846  0.007  1.0
  O  O23  1  0.846  0.617  0.507  1.0
  O  O24  1  0.820  0.577  0.257  1.0
  O  O25  1  0.577  0.820  0.757  1.0
  O  O26  1  0.589  0.790  0.224  1.0
  O  O27  1  0.790  0.589  0.724  1.0
  O  O28  1  0.738  0.538  0.045  1.0
  O  O29  1  0.538  0.738  0.545  1.0
  O  O30  1  0.311  0.879  0.383  1.0
  O  O31  1  0.879  0.311  0.883  1.0
  O  O32  1  0.838  0.186  0.372  1.0
  O  O33  1  0.186  0.838  0.872  1.0
  O  O34  1  0.814  0.162  0.128  1.0
  O  O35  1  0.162  0.814  0.628  1.0
  O  O36  1  0.121  0.689  0.117  1.0
  O  O37  1  0.689  0.121  0.617  1.0
  O  O38  1  0.462  0.262  0.455  1.0
  O  O39  1  0.262  0.462  0.955  1.0
  O  O40  1  0.210  0.411  0.276  1.0
  O  O41  1  0.411  0.210  0.776  1.0
  O  O42  1  0.423  0.180  0.243  1.0
  O  O43  1  0.180  0.423  0.743  1.0
  O  O44  1  0.154  0.383  0.493  1.0
  O  O45  1  0.383  0.154  0.993  1.0
  O  O46  1  0.097  0.062  0.377  1.0
  O  O47  1  0.062  0.097  0.877  1.0
[/CIF]
.
The crystal structure described by Li2MnP2O7 crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(7) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. Mn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. 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  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and  a cornercorner with one Li(3)O4 trigonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(2), 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   7.350
_cell_length_b   7.350
_cell_length_c   11.638
_cell_angle_alpha   89.060
_cell_angle_beta   89.060
_cell_angle_gamma   120.071
_symmetry_Int_Tables_number   1
_cell_volume   543.821
_cell_formula_units_Z   4
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  0.746  0.308  0.491  1.0
  Li  Li1  1  0.308  0.746  0.991  1.0
  Li  Li2  1  0.729  0.271  0.250  1.0
  Li  Li3  1  0.289  0.711  0.250  1.0
  Li  Li4  1  0.711  0.289  0.750  1.0
  Li  Li5  1  0.271  0.729  0.750  1.0
  Li  Li6  1  0.692  0.254  0.009  1.0
  Li  Li7  1  0.254  0.692  0.509  1.0
  Mn  Mn8  1  0.674  0.678  0.381  1.0
  Mn  Mn9  1  0.678  0.674  0.881  1.0
  Mn  Mn10  1  0.322  0.326  0.119  1.0
  Mn  Mn11  1  0.326  0.322  0.619  1.0
  P  P12  1  0.729  0.929  0.122  1.0
  P  P13  1  0.929  0.729  0.622  1.0
  P  P14  1  0.906  0.665  0.135  1.0
  P  P15  1  0.665  0.906  0.635  1.0
  P  P16  1  0.335  0.094  0.365  1.0
  P  P17  1  0.094  0.335  0.865  1.0
  P  P18  1  0.071  0.271  0.378  1.0
  P  P19  1  0.271  0.071  0.878  1.0
  O  O20  1  0.938  0.903  0.123  1.0
  O  O21  1  0.903  0.938  0.623  1.0
  O  O22  1  0.617  0.846  0.007  1.0
  O  O23  1  0.846  0.617  0.507  1.0
  O  O24  1  0.820  0.577  0.257  1.0
  O  O25  1  0.577  0.820  0.757  1.0
  O  O26  1  0.589  0.790  0.224  1.0
  O  O27  1  0.790  0.589  0.724  1.0
  O  O28  1  0.738  0.538  0.045  1.0
  O  O29  1  0.538  0.738  0.545  1.0
  O  O30  1  0.311  0.879  0.383  1.0
  O  O31  1  0.879  0.311  0.883  1.0
  O  O32  1  0.838  0.186  0.372  1.0
  O  O33  1  0.186  0.838  0.872  1.0
  O  O34  1  0.814  0.162  0.128  1.0
  O  O35  1  0.162  0.814  0.628  1.0
  O  O36  1  0.121  0.689  0.117  1.0
  O  O37  1  0.689  0.121  0.617  1.0
  O  O38  1  0.462  0.262  0.455  1.0
  O  O39  1  0.262  0.462  0.955  1.0
  O  O40  1  0.210  0.411  0.276  1.0
  O  O41  1  0.411  0.210  0.776  1.0
  O  O42  1  0.423  0.180  0.243  1.0
  O  O43  1  0.180  0.423  0.743  1.0
  O  O44  1  0.154  0.383  0.493  1.0
  O  O45  1  0.383  0.154  0.993  1.0
  O  O46  1  0.097  0.062  0.377  1.0
  O  O47  1  0.062  0.097  0.877  1.0
[/CIF]
.