The compound described by Li2Mn3(P2O7)2 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 5-coordinate geometry to one O(10), one O(14), one O(7), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(7), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(3), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(13), one O(2), one O(5), and two equivalent O(6) atoms to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with four equivalent P(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 pentagonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-52°. In the fourth P site, P(4) is bonded to one O(11), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(3)O6 pentagonal pyramids, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Mn(3) and one P(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(1), and one P(2) atom to form edge-sharing OLi3P trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Mn3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   6.643
_cell_length_c   16.223
_cell_angle_alpha   81.753
_cell_angle_beta   82.836
_cell_angle_gamma   71.857
_symmetry_Int_Tables_number   1
_cell_volume   541.367
_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  0.783  0.005  1.0
  Li  Li1  1  0.355  0.691  0.117  1.0
  Li  Li2  1  0.074  0.217  0.995  1.0
  Li  Li3  1  0.645  0.309  0.883  1.0
  Mn  Mn4  1  0.255  0.971  0.332  1.0
  Mn  Mn5  1  0.745  0.029  0.668  1.0
  Mn  Mn6  1  0.964  0.381  0.187  1.0
  Mn  Mn7  1  0.036  0.619  0.813  1.0
  Mn  Mn8  1  0.837  0.709  0.424  1.0
  Mn  Mn9  1  0.163  0.291  0.576  1.0
  P  P10  1  0.167  0.092  0.791  1.0
  P  P11  1  0.564  0.243  0.073  1.0
  P  P12  1  0.371  0.443  0.318  1.0
  P  P13  1  0.718  0.217  0.461  1.0
  P  P14  1  0.436  0.757  0.927  1.0
  P  P15  1  0.629  0.557  0.682  1.0
  P  P16  1  0.833  0.908  0.209  1.0
  P  P17  1  0.282  0.783  0.539  1.0
  O  O18  1  0.327  0.140  0.710  1.0
  O  O19  1  0.578  0.159  0.546  1.0
  O  O20  1  0.599  0.469  0.258  1.0
  O  O21  1  0.605  0.054  0.150  1.0
  O  O22  1  0.892  0.023  0.419  1.0
  O  O23  1  0.865  0.379  0.465  1.0
  O  O24  1  0.979  0.714  0.160  1.0
  O  O25  1  0.283  0.860  0.005  1.0
  O  O26  1  0.219  0.304  0.290  1.0
  O  O27  1  0.737  0.678  0.928  1.0
  O  O28  1  0.468  0.323  0.407  1.0
  O  O29  1  0.978  0.965  0.783  1.0
  O  O30  1  0.673  0.860  0.290  1.0
  O  O31  1  0.717  0.140  0.995  1.0
  O  O32  1  0.781  0.696  0.710  1.0
  O  O33  1  0.395  0.946  0.850  1.0
  O  O34  1  0.401  0.531  0.742  1.0
  O  O35  1  0.183  0.660  0.339  1.0
  O  O36  1  0.135  0.621  0.535  1.0
  O  O37  1  0.322  0.584  0.908  1.0
  O  O38  1  0.678  0.416  0.092  1.0
  O  O39  1  0.021  0.286  0.840  1.0
  O  O40  1  0.022  0.035  0.217  1.0
  O  O41  1  0.817  0.340  0.661  1.0
  O  O42  1  0.422  0.841  0.454  1.0
  O  O43  1  0.532  0.677  0.593  1.0
  O  O44  1  0.108  0.977  0.581  1.0
  O  O45  1  0.263  0.322  0.072  1.0
[/CIF]
.
The compound described by Li2Mn3(P2O7)2 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 5-coordinate geometry to one O(10), one O(14), one O(7), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(7), and one O(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(5), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 pentagonal pyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(3), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(13), one O(2), one O(5), and two equivalent O(6) atoms to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with four equivalent P(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O6 pentagonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(3), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 pentagonal pyramid, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-52°. In the fourth P site, P(4) is bonded to one O(11), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(3)O6 pentagonal pyramids, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Mn(3) and one P(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(1), and one P(2) atom to form edge-sharing OLi3P trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2Mn3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.361
_cell_length_b   6.643
_cell_length_c   16.223
_cell_angle_alpha   81.753
_cell_angle_beta   82.836
_cell_angle_gamma   71.857
_symmetry_Int_Tables_number   1
_cell_volume   541.367
_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  0.783  0.005  1.0
  Li  Li1  1  0.355  0.691  0.117  1.0
  Li  Li2  1  0.074  0.217  0.995  1.0
  Li  Li3  1  0.645  0.309  0.883  1.0
  Mn  Mn4  1  0.255  0.971  0.332  1.0
  Mn  Mn5  1  0.745  0.029  0.668  1.0
  Mn  Mn6  1  0.964  0.381  0.187  1.0
  Mn  Mn7  1  0.036  0.619  0.813  1.0
  Mn  Mn8  1  0.837  0.709  0.424  1.0
  Mn  Mn9  1  0.163  0.291  0.576  1.0
  P  P10  1  0.167  0.092  0.791  1.0
  P  P11  1  0.564  0.243  0.073  1.0
  P  P12  1  0.371  0.443  0.318  1.0
  P  P13  1  0.718  0.217  0.461  1.0
  P  P14  1  0.436  0.757  0.927  1.0
  P  P15  1  0.629  0.557  0.682  1.0
  P  P16  1  0.833  0.908  0.209  1.0
  P  P17  1  0.282  0.783  0.539  1.0
  O  O18  1  0.327  0.140  0.710  1.0
  O  O19  1  0.578  0.159  0.546  1.0
  O  O20  1  0.599  0.469  0.258  1.0
  O  O21  1  0.605  0.054  0.150  1.0
  O  O22  1  0.892  0.023  0.419  1.0
  O  O23  1  0.865  0.379  0.465  1.0
  O  O24  1  0.979  0.714  0.160  1.0
  O  O25  1  0.283  0.860  0.005  1.0
  O  O26  1  0.219  0.304  0.290  1.0
  O  O27  1  0.737  0.678  0.928  1.0
  O  O28  1  0.468  0.323  0.407  1.0
  O  O29  1  0.978  0.965  0.783  1.0
  O  O30  1  0.673  0.860  0.290  1.0
  O  O31  1  0.717  0.140  0.995  1.0
  O  O32  1  0.781  0.696  0.710  1.0
  O  O33  1  0.395  0.946  0.850  1.0
  O  O34  1  0.401  0.531  0.742  1.0
  O  O35  1  0.183  0.660  0.339  1.0
  O  O36  1  0.135  0.621  0.535  1.0
  O  O37  1  0.322  0.584  0.908  1.0
  O  O38  1  0.678  0.416  0.092  1.0
  O  O39  1  0.021  0.286  0.840  1.0
  O  O40  1  0.022  0.035  0.217  1.0
  O  O41  1  0.817  0.340  0.661  1.0
  O  O42  1  0.422  0.841  0.454  1.0
  O  O43  1  0.532  0.677  0.593  1.0
  O  O44  1  0.108  0.977  0.581  1.0
  O  O45  1  0.263  0.322  0.072  1.0
[/CIF]
.