The material described by V2MnPb2O9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Mn(1) is bonded to two equivalent O(3), two equivalent O(5), 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 Mn(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), 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 distorted trigonal planar geometry to one V(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(2) and one Pb(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_MnV2Pb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.932
_cell_length_b   8.242
_cell_length_c   9.097
_cell_angle_alpha   113.038
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.309
_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
  Mn  Mn0  1  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.250  0.415  0.174  1.0
  V  V3  1  0.750  0.585  0.826  1.0
  V  V4  1  0.250  0.021  0.323  1.0
  V  V5  1  0.750  0.979  0.677  1.0
  Pb  Pb6  1  0.250  0.710  0.633  1.0
  Pb  Pb7  1  0.750  0.290  0.367  1.0
  Pb  Pb8  1  0.250  0.292  0.731  1.0
  Pb  Pb9  1  0.750  0.708  0.269  1.0
  O  O10  1  0.491  0.490  0.291  1.0
  O  O11  1  0.991  0.510  0.709  1.0
  O  O12  1  0.509  0.510  0.709  1.0
  O  O13  1  0.009  0.490  0.291  1.0
  O  O14  1  0.250  0.490  0.029  1.0
  O  O15  1  0.750  0.510  0.971  1.0
  O  O16  1  0.250  0.169  0.080  1.0
  O  O17  1  0.750  0.831  0.920  1.0
  O  O18  1  0.250  0.244  0.442  1.0
  O  O19  1  0.750  0.756  0.558  1.0
  O  O20  1  0.501  0.032  0.799  1.0
  O  O21  1  0.001  0.968  0.201  1.0
  O  O22  1  0.499  0.968  0.201  1.0
  O  O23  1  0.999  0.032  0.799  1.0
  O  O24  1  0.250  0.907  0.441  1.0
  O  O25  1  0.750  0.093  0.559  1.0
  O  O26  1  0.250  0.841  0.921  1.0
  O  O27  1  0.750  0.159  0.079  1.0
[/CIF]
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The material described by V2MnPb2O9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 60°. Mn(1) is bonded to two equivalent O(3), two equivalent O(5), 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 Mn(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(7) and two equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), 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 distorted trigonal planar geometry to one V(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(2) and one Pb(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one Mn(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_MnV2Pb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.932
_cell_length_b   8.242
_cell_length_c   9.097
_cell_angle_alpha   113.038
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   409.309
_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
  Mn  Mn0  1  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  V  V2  1  0.250  0.415  0.174  1.0
  V  V3  1  0.750  0.585  0.826  1.0
  V  V4  1  0.250  0.021  0.323  1.0
  V  V5  1  0.750  0.979  0.677  1.0
  Pb  Pb6  1  0.250  0.710  0.633  1.0
  Pb  Pb7  1  0.750  0.290  0.367  1.0
  Pb  Pb8  1  0.250  0.292  0.731  1.0
  Pb  Pb9  1  0.750  0.708  0.269  1.0
  O  O10  1  0.491  0.490  0.291  1.0
  O  O11  1  0.991  0.510  0.709  1.0
  O  O12  1  0.509  0.510  0.709  1.0
  O  O13  1  0.009  0.490  0.291  1.0
  O  O14  1  0.250  0.490  0.029  1.0
  O  O15  1  0.750  0.510  0.971  1.0
  O  O16  1  0.250  0.169  0.080  1.0
  O  O17  1  0.750  0.831  0.920  1.0
  O  O18  1  0.250  0.244  0.442  1.0
  O  O19  1  0.750  0.756  0.558  1.0
  O  O20  1  0.501  0.032  0.799  1.0
  O  O21  1  0.001  0.968  0.201  1.0
  O  O22  1  0.499  0.968  0.201  1.0
  O  O23  1  0.999  0.032  0.799  1.0
  O  O24  1  0.250  0.907  0.441  1.0
  O  O25  1  0.750  0.093  0.559  1.0
  O  O26  1  0.250  0.841  0.921  1.0
  O  O27  1  0.750  0.159  0.079  1.0
[/CIF]
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