The material described by LiVMn(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a see-saw-like geometry to one O(11), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Mn(1) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)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 43-48°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)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 43-52°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnV(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.857
_cell_length_b   7.036
_cell_length_c   8.149
_cell_angle_alpha   88.153
_cell_angle_beta   88.601
_cell_angle_gamma   71.841
_symmetry_Int_Tables_number   1
_cell_volume   264.447
_cell_formula_units_Z   1
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  0.162  0.325  0.867  1.0
  Mn  Mn1  1  0.785  0.733  0.006  1.0
  O  O2  1  0.045  0.156  0.335  1.0
  O  O3  1  0.142  0.108  0.686  1.0
  O  O4  1  0.178  0.515  0.042  1.0
  O  O5  1  0.266  0.484  0.350  1.0
  O  O6  1  0.381  0.394  0.674  1.0
  O  O7  1  0.584  0.100  0.438  1.0
  O  O8  1  0.609  0.255  0.150  1.0
  O  O9  1  0.415  0.746  0.651  1.0
  O  O10  1  0.406  0.916  0.929  1.0
  O  O11  1  0.589  0.620  0.172  1.0
  O  O12  1  0.746  0.491  0.846  1.0
  O  O13  1  0.818  0.466  0.536  1.0
  O  O14  1  0.879  0.896  0.198  1.0
  O  O15  1  0.954  0.849  0.827  1.0
  P  P16  1  0.403  0.482  0.178  1.0
  P  P17  1  0.226  0.906  0.780  1.0
  P  P18  1  0.784  0.089  0.285  1.0
  P  P19  1  0.601  0.513  0.680  1.0
  V  V20  1  0.204  0.280  0.495  1.0
[/CIF]
.
The material described by LiVMn(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a see-saw-like geometry to one O(11), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Mn(1) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)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 43-48°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)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 43-52°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one V(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnV(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.857
_cell_length_b   7.036
_cell_length_c   8.149
_cell_angle_alpha   88.153
_cell_angle_beta   88.601
_cell_angle_gamma   71.841
_symmetry_Int_Tables_number   1
_cell_volume   264.447
_cell_formula_units_Z   1
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  0.162  0.325  0.867  1.0
  Mn  Mn1  1  0.785  0.733  0.006  1.0
  O  O2  1  0.045  0.156  0.335  1.0
  O  O3  1  0.142  0.108  0.686  1.0
  O  O4  1  0.178  0.515  0.042  1.0
  O  O5  1  0.266  0.484  0.350  1.0
  O  O6  1  0.381  0.394  0.674  1.0
  O  O7  1  0.584  0.100  0.438  1.0
  O  O8  1  0.609  0.255  0.150  1.0
  O  O9  1  0.415  0.746  0.651  1.0
  O  O10  1  0.406  0.916  0.929  1.0
  O  O11  1  0.589  0.620  0.172  1.0
  O  O12  1  0.746  0.491  0.846  1.0
  O  O13  1  0.818  0.466  0.536  1.0
  O  O14  1  0.879  0.896  0.198  1.0
  O  O15  1  0.954  0.849  0.827  1.0
  P  P16  1  0.403  0.482  0.178  1.0
  P  P17  1  0.226  0.906  0.780  1.0
  P  P18  1  0.784  0.089  0.285  1.0
  P  P19  1  0.601  0.513  0.680  1.0
  V  V20  1  0.204  0.280  0.495  1.0
[/CIF]
.