The material structure described by V4MnFe(Pb2O9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second V site, V(2) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. Mn(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(8), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and one Pb(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1), one Mn(1), and one Pb(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1), one Fe(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) and one Pb(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. is represented by the CIF card [CIF]
data_MnV4Fe(Pb2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   7.988
_cell_length_c   8.977
_cell_angle_alpha   112.705
_cell_angle_beta   89.796
_cell_angle_gamma   89.077
_symmetry_Int_Tables_number   1
_cell_volume   401.864
_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  0.500  0.000  0.000  1.0
  V  V1  1  0.250  0.035  0.335  1.0
  V  V2  1  0.750  0.965  0.665  1.0
  V  V3  1  0.256  0.433  0.175  1.0
  V  V4  1  0.744  0.567  0.825  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Pb  Pb6  1  0.246  0.683  0.612  1.0
  Pb  Pb7  1  0.754  0.317  0.388  1.0
  Pb  Pb8  1  0.249  0.283  0.745  1.0
  Pb  Pb9  1  0.751  0.717  0.255  1.0
  O  O10  1  0.251  0.525  0.036  1.0
  O  O11  1  0.749  0.475  0.964  1.0
  O  O12  1  0.248  0.264  0.454  1.0
  O  O13  1  0.752  0.736  0.546  1.0
  O  O14  1  0.510  0.021  0.793  1.0
  O  O15  1  0.007  0.986  0.213  1.0
  O  O16  1  0.490  0.979  0.207  1.0
  O  O17  1  0.993  0.014  0.787  1.0
  O  O18  1  0.254  0.919  0.457  1.0
  O  O19  1  0.746  0.081  0.543  1.0
  O  O20  1  0.250  0.845  0.925  1.0
  O  O21  1  0.750  0.155  0.075  1.0
  O  O22  1  0.263  0.185  0.068  1.0
  O  O23  1  0.737  0.815  0.932  1.0
  O  O24  1  0.486  0.509  0.298  1.0
  O  O25  1  0.982  0.498  0.704  1.0
  O  O26  1  0.514  0.491  0.702  1.0
  O  O27  1  0.018  0.502  0.296  1.0
[/CIF]
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The material structure described by V4MnFe(Pb2O9)2 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second V site, V(2) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and  a cornercorner with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. Mn(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), one O(8), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and one Pb(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1), one Mn(1), and one Pb(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1), one Fe(1), and one Pb(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) and one Pb(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Fe(1), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(2), one Mn(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. is represented by the CIF card [CIF]
data_MnV4Fe(Pb2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   7.988
_cell_length_c   8.977
_cell_angle_alpha   112.705
_cell_angle_beta   89.796
_cell_angle_gamma   89.077
_symmetry_Int_Tables_number   1
_cell_volume   401.864
_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  0.500  0.000  0.000  1.0
  V  V1  1  0.250  0.035  0.335  1.0
  V  V2  1  0.750  0.965  0.665  1.0
  V  V3  1  0.256  0.433  0.175  1.0
  V  V4  1  0.744  0.567  0.825  1.0
  Fe  Fe5  1  0.000  0.000  0.000  1.0
  Pb  Pb6  1  0.246  0.683  0.612  1.0
  Pb  Pb7  1  0.754  0.317  0.388  1.0
  Pb  Pb8  1  0.249  0.283  0.745  1.0
  Pb  Pb9  1  0.751  0.717  0.255  1.0
  O  O10  1  0.251  0.525  0.036  1.0
  O  O11  1  0.749  0.475  0.964  1.0
  O  O12  1  0.248  0.264  0.454  1.0
  O  O13  1  0.752  0.736  0.546  1.0
  O  O14  1  0.510  0.021  0.793  1.0
  O  O15  1  0.007  0.986  0.213  1.0
  O  O16  1  0.490  0.979  0.207  1.0
  O  O17  1  0.993  0.014  0.787  1.0
  O  O18  1  0.254  0.919  0.457  1.0
  O  O19  1  0.746  0.081  0.543  1.0
  O  O20  1  0.250  0.845  0.925  1.0
  O  O21  1  0.750  0.155  0.075  1.0
  O  O22  1  0.263  0.185  0.068  1.0
  O  O23  1  0.737  0.815  0.932  1.0
  O  O24  1  0.486  0.509  0.298  1.0
  O  O25  1  0.982  0.498  0.704  1.0
  O  O26  1  0.514  0.491  0.702  1.0
  O  O27  1  0.018  0.502  0.296  1.0
[/CIF]
.