The structure described by Li2VMn(P2O7)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(1), one O(15), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one O(13), one O(17), one O(27), and one O(6) atom. In the third Li site, Li(3) is bonded in a see-saw-like geometry to one O(14), one O(16), one O(21), and one O(26) atom. In the fourth Li site, Li(4) is bonded in a see-saw-like geometry to one O(12), one O(2), one O(22), and one O(28) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(19), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(15), one O(22), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(17), one O(18), one O(2), one O(28), one O(4), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(13), one O(21), one O(23), one O(25), one O(26), and one O(27) atom to form MnO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second P site, P(2) is bonded to one O(11), one O(24), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the third P site, P(3) is bonded to one O(10), one O(23), one O(25), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(20), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the sixth P site, P(6) is bonded to one O(18), one O(21), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the seventh P site, P(7) is bonded to one O(19), one O(20), one O(22), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the eighth P site, P(8) is bonded to one O(10), one O(17), one O(27), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(4), 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(1), one V(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one P(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one V(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(8) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one V(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(5) and one P(7) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one P(7) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one P(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnV(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.847
_cell_length_b   10.908
_cell_length_c   10.912
_cell_angle_alpha   99.442
_cell_angle_beta   101.981
_cell_angle_gamma   102.075
_symmetry_Int_Tables_number   1
_cell_volume   538.720
_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  0.177  0.768  0.906  1.0
  Li  Li1  1  0.174  0.268  0.408  1.0
  Li  Li2  1  0.823  0.342  0.980  1.0
  Li  Li3  1  0.826  0.843  0.483  1.0
  Mn  Mn4  1  0.214  0.114  0.615  1.0
  Mn  Mn5  1  0.786  0.134  0.135  1.0
  V  V6  1  0.216  0.614  0.114  1.0
  V  V7  1  0.786  0.636  0.637  1.0
  P  P8  1  0.400  0.850  0.669  1.0
  P  P9  1  0.211  0.436  0.650  1.0
  P  P10  1  0.214  0.937  0.153  1.0
  P  P11  1  0.599  0.578  0.898  1.0
  P  P12  1  0.400  0.349  0.171  1.0
  P  P13  1  0.788  0.100  0.811  1.0
  P  P14  1  0.787  0.598  0.315  1.0
  P  P15  1  0.600  0.081  0.403  1.0
  O  O16  1  0.191  0.761  0.724  1.0
  O  O17  1  0.244  0.919  0.577  1.0
  O  O18  1  0.396  0.641  0.964  1.0
  O  O19  1  0.057  0.090  0.761  1.0
  O  O20  1  0.050  0.587  0.263  1.0
  O  O21  1  0.127  0.293  0.591  1.0
  O  O22  1  0.133  0.793  0.096  1.0
  O  O23  1  0.598  0.955  0.797  1.0
  O  O24  1  0.404  0.450  0.796  1.0
  O  O25  1  0.402  0.953  0.298  1.0
  O  O26  1  0.398  0.510  0.575  1.0
  O  O27  1  0.609  0.786  0.610  1.0
  O  O28  1  0.184  0.258  0.222  1.0
  O  O29  1  0.251  0.423  0.082  1.0
  O  O30  1  0.754  0.669  0.827  1.0
  O  O31  1  0.814  0.528  0.990  1.0
  O  O32  1  0.392  0.140  0.469  1.0
  O  O33  1  0.601  0.175  0.737  1.0
  O  O34  1  0.601  0.674  0.242  1.0
  O  O35  1  0.596  0.451  0.300  1.0
  O  O36  1  0.875  0.158  0.954  1.0
  O  O37  1  0.867  0.655  0.459  1.0
  O  O38  1  0.401  0.011  0.076  1.0
  O  O39  1  0.949  0.489  0.664  1.0
  O  O40  1  0.943  0.987  0.160  1.0
  O  O41  1  0.603  0.282  0.108  1.0
  O  O42  1  0.749  0.173  0.332  1.0
  O  O43  1  0.811  0.026  0.492  1.0
[/CIF]
.
The structure described by Li2VMn(P2O7)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a see-saw-like geometry to one O(1), one O(15), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a see-saw-like geometry to one O(13), one O(17), one O(27), and one O(6) atom. In the third Li site, Li(3) is bonded in a see-saw-like geometry to one O(14), one O(16), one O(21), and one O(26) atom. In the fourth Li site, Li(4) is bonded in a see-saw-like geometry to one O(12), one O(2), one O(22), and one O(28) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(19), one O(3), one O(5), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(12), one O(15), one O(22), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(17), one O(18), one O(2), one O(28), one O(4), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(13), one O(21), one O(23), one O(25), one O(26), and one O(27) atom to form MnO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second P site, P(2) is bonded to one O(11), one O(24), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the third P site, P(3) is bonded to one O(10), one O(23), one O(25), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth P site, P(4) is bonded to one O(15), one O(16), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(20), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the sixth P site, P(6) is bonded to one O(18), one O(21), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-50°. In the seventh P site, P(7) is bonded to one O(19), one O(20), one O(22), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the eighth P site, P(8) is bonded to one O(10), one O(17), one O(27), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(4), 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(1), one V(1), and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one P(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one V(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(8) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one V(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(5) and one P(7) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Li(3), one Mn(2), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(4), one V(2), and one P(7) atom. In the twenty-third O site, O(23) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(2), and one P(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one P(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnV(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.847
_cell_length_b   10.908
_cell_length_c   10.912
_cell_angle_alpha   99.442
_cell_angle_beta   101.981
_cell_angle_gamma   102.075
_symmetry_Int_Tables_number   1
_cell_volume   538.720
_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  0.177  0.768  0.906  1.0
  Li  Li1  1  0.174  0.268  0.408  1.0
  Li  Li2  1  0.823  0.342  0.980  1.0
  Li  Li3  1  0.826  0.843  0.483  1.0
  Mn  Mn4  1  0.214  0.114  0.615  1.0
  Mn  Mn5  1  0.786  0.134  0.135  1.0
  V  V6  1  0.216  0.614  0.114  1.0
  V  V7  1  0.786  0.636  0.637  1.0
  P  P8  1  0.400  0.850  0.669  1.0
  P  P9  1  0.211  0.436  0.650  1.0
  P  P10  1  0.214  0.937  0.153  1.0
  P  P11  1  0.599  0.578  0.898  1.0
  P  P12  1  0.400  0.349  0.171  1.0
  P  P13  1  0.788  0.100  0.811  1.0
  P  P14  1  0.787  0.598  0.315  1.0
  P  P15  1  0.600  0.081  0.403  1.0
  O  O16  1  0.191  0.761  0.724  1.0
  O  O17  1  0.244  0.919  0.577  1.0
  O  O18  1  0.396  0.641  0.964  1.0
  O  O19  1  0.057  0.090  0.761  1.0
  O  O20  1  0.050  0.587  0.263  1.0
  O  O21  1  0.127  0.293  0.591  1.0
  O  O22  1  0.133  0.793  0.096  1.0
  O  O23  1  0.598  0.955  0.797  1.0
  O  O24  1  0.404  0.450  0.796  1.0
  O  O25  1  0.402  0.953  0.298  1.0
  O  O26  1  0.398  0.510  0.575  1.0
  O  O27  1  0.609  0.786  0.610  1.0
  O  O28  1  0.184  0.258  0.222  1.0
  O  O29  1  0.251  0.423  0.082  1.0
  O  O30  1  0.754  0.669  0.827  1.0
  O  O31  1  0.814  0.528  0.990  1.0
  O  O32  1  0.392  0.140  0.469  1.0
  O  O33  1  0.601  0.175  0.737  1.0
  O  O34  1  0.601  0.674  0.242  1.0
  O  O35  1  0.596  0.451  0.300  1.0
  O  O36  1  0.875  0.158  0.954  1.0
  O  O37  1  0.867  0.655  0.459  1.0
  O  O38  1  0.401  0.011  0.076  1.0
  O  O39  1  0.949  0.489  0.664  1.0
  O  O40  1  0.943  0.987  0.160  1.0
  O  O41  1  0.603  0.282  0.108  1.0
  O  O42  1  0.749  0.173  0.332  1.0
  O  O43  1  0.811  0.026  0.492  1.0
[/CIF]
.