The structure described by Pb3Mn5V2O16 crystallizes in the trigonal P-3m1 space group. V(1) is bonded to one O(2) and three equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1), one Mn(2), and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5V2Pb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.849
_cell_length_c   11.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   339.185
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.310  1.0
  Mn  Mn2  1  0.000  0.000  0.690  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.333  0.667  0.859  1.0
  V  V6  1  0.667  0.333  0.141  1.0
  Pb  Pb7  1  0.333  0.667  0.235  1.0
  Pb  Pb8  1  0.667  0.333  0.765  1.0
  Pb  Pb9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.178  0.356  0.406  1.0
  O  O11  1  0.667  0.333  0.993  1.0
  O  O12  1  0.165  0.835  0.815  1.0
  O  O13  1  0.356  0.178  0.594  1.0
  O  O14  1  0.333  0.667  0.585  1.0
  O  O15  1  0.165  0.331  0.815  1.0
  O  O16  1  0.822  0.644  0.594  1.0
  O  O17  1  0.644  0.822  0.406  1.0
  O  O18  1  0.822  0.178  0.594  1.0
  O  O19  1  0.333  0.667  0.007  1.0
  O  O20  1  0.331  0.165  0.185  1.0
  O  O21  1  0.178  0.822  0.406  1.0
  O  O22  1  0.835  0.165  0.185  1.0
  O  O23  1  0.835  0.669  0.185  1.0
  O  O24  1  0.669  0.835  0.815  1.0
  O  O25  1  0.667  0.333  0.415  1.0
[/CIF]
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The structure described by Pb3Mn5V2O16 crystallizes in the trigonal P-3m1 space group. V(1) is bonded to one O(2) and three equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1), one Mn(2), and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5V2Pb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.849
_cell_length_b   5.849
_cell_length_c   11.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   339.185
_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  0.000  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.310  1.0
  Mn  Mn2  1  0.000  0.000  0.690  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  V  V5  1  0.333  0.667  0.859  1.0
  V  V6  1  0.667  0.333  0.141  1.0
  Pb  Pb7  1  0.333  0.667  0.235  1.0
  Pb  Pb8  1  0.667  0.333  0.765  1.0
  Pb  Pb9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.178  0.356  0.406  1.0
  O  O11  1  0.667  0.333  0.993  1.0
  O  O12  1  0.165  0.835  0.815  1.0
  O  O13  1  0.356  0.178  0.594  1.0
  O  O14  1  0.333  0.667  0.585  1.0
  O  O15  1  0.165  0.331  0.815  1.0
  O  O16  1  0.822  0.644  0.594  1.0
  O  O17  1  0.644  0.822  0.406  1.0
  O  O18  1  0.822  0.178  0.594  1.0
  O  O19  1  0.333  0.667  0.007  1.0
  O  O20  1  0.331  0.165  0.185  1.0
  O  O21  1  0.178  0.822  0.406  1.0
  O  O22  1  0.835  0.165  0.185  1.0
  O  O23  1  0.835  0.669  0.185  1.0
  O  O24  1  0.669  0.835  0.815  1.0
  O  O25  1  0.667  0.333  0.415  1.0
[/CIF]
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