The material structure described by VMn(P2O7)2 crystallizes in the triclinic P1 space group. 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 40-49°. 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 20-48°. 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 29-44°. 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 36-52°. 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 bent 150 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 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 bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 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 CIF file [CIF]
data_MnV(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   8.169
_cell_length_c   7.035
_cell_angle_alpha   92.618
_cell_angle_beta   106.550
_cell_angle_gamma   88.633
_symmetry_Int_Tables_number   1
_cell_volume   266.153
_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
  Mn  Mn0  1  0.786  0.004  0.268  1.0
  V  V1  1  0.210  0.504  0.723  1.0
  P  P2  1  0.390  0.182  0.506  1.0
  P  P3  1  0.243  0.771  0.110  1.0
  P  P4  1  0.772  0.278  0.894  1.0
  P  P5  1  0.608  0.692  0.498  1.0
  O  O6  1  0.026  0.337  0.822  1.0
  O  O7  1  0.166  0.658  0.918  1.0
  O  O8  1  0.153  0.058  0.464  1.0
  O  O9  1  0.270  0.360  0.524  1.0
  O  O10  1  0.399  0.669  0.626  1.0
  O  O11  1  0.564  0.428  0.894  1.0
  O  O12  1  0.590  0.149  0.727  1.0
  O  O13  1  0.427  0.645  0.271  1.0
  O  O14  1  0.424  0.916  0.092  1.0
  O  O15  1  0.578  0.183  0.366  1.0
  O  O16  1  0.719  0.862  0.510  1.0
  O  O17  1  0.847  0.558  0.547  1.0
  O  O18  1  0.868  0.191  0.083  1.0
  O  O19  1  0.966  0.817  0.161  1.0
[/CIF]
.
The material structure described by VMn(P2O7)2 crystallizes in the triclinic P1 space group. 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 40-49°. 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 20-48°. 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 29-44°. 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 36-52°. 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 bent 150 degrees geometry to one V(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 150 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 bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 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 CIF file [CIF]
data_MnV(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   8.169
_cell_length_c   7.035
_cell_angle_alpha   92.618
_cell_angle_beta   106.550
_cell_angle_gamma   88.633
_symmetry_Int_Tables_number   1
_cell_volume   266.153
_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
  Mn  Mn0  1  0.786  0.004  0.268  1.0
  V  V1  1  0.210  0.504  0.723  1.0
  P  P2  1  0.390  0.182  0.506  1.0
  P  P3  1  0.243  0.771  0.110  1.0
  P  P4  1  0.772  0.278  0.894  1.0
  P  P5  1  0.608  0.692  0.498  1.0
  O  O6  1  0.026  0.337  0.822  1.0
  O  O7  1  0.166  0.658  0.918  1.0
  O  O8  1  0.153  0.058  0.464  1.0
  O  O9  1  0.270  0.360  0.524  1.0
  O  O10  1  0.399  0.669  0.626  1.0
  O  O11  1  0.564  0.428  0.894  1.0
  O  O12  1  0.590  0.149  0.727  1.0
  O  O13  1  0.427  0.645  0.271  1.0
  O  O14  1  0.424  0.916  0.092  1.0
  O  O15  1  0.578  0.183  0.366  1.0
  O  O16  1  0.719  0.862  0.510  1.0
  O  O17  1  0.847  0.558  0.547  1.0
  O  O18  1  0.868  0.191  0.083  1.0
  O  O19  1  0.966  0.817  0.161  1.0
[/CIF]
.