The material described by VMnPbHO5 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), and four equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one V(1), one Mn(1), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Mn(1), one Pb(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), two equivalent Mn(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVHPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.174
_cell_length_b   7.599
_cell_length_c   9.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.737
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.250  0.635  0.810  1.0
  V  V5  1  0.750  0.865  0.310  1.0
  V  V6  1  0.250  0.135  0.690  1.0
  V  V7  1  0.750  0.365  0.190  1.0
  H  H8  1  0.250  0.772  0.478  1.0
  H  H9  1  0.750  0.728  0.978  1.0
  H  H10  1  0.250  0.272  0.022  1.0
  H  H11  1  0.750  0.228  0.522  1.0
  Pb  Pb12  1  0.250  0.632  0.176  1.0
  Pb  Pb13  1  0.750  0.868  0.676  1.0
  Pb  Pb14  1  0.250  0.132  0.324  1.0
  Pb  Pb15  1  0.750  0.368  0.824  1.0
  O  O16  1  0.750  0.542  0.085  1.0
  O  O17  1  0.013  0.626  0.706  1.0
  O  O18  1  0.487  0.626  0.706  1.0
  O  O19  1  0.250  0.658  0.427  1.0
  O  O20  1  0.750  0.684  0.427  1.0
  O  O21  1  0.250  0.816  0.927  1.0
  O  O22  1  0.750  0.842  0.927  1.0
  O  O23  1  0.513  0.874  0.206  1.0
  O  O24  1  0.987  0.874  0.206  1.0
  O  O25  1  0.250  0.958  0.585  1.0
  O  O26  1  0.750  0.042  0.415  1.0
  O  O27  1  0.013  0.126  0.794  1.0
  O  O28  1  0.487  0.126  0.794  1.0
  O  O29  1  0.250  0.158  0.073  1.0
  O  O30  1  0.750  0.184  0.073  1.0
  O  O31  1  0.250  0.316  0.573  1.0
  O  O32  1  0.750  0.342  0.573  1.0
  O  O33  1  0.513  0.374  0.294  1.0
  O  O34  1  0.987  0.374  0.294  1.0
  O  O35  1  0.250  0.458  0.915  1.0
[/CIF]
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The material described by VMnPbHO5 crystallizes in the orthorhombic Pnma space group. V(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent V(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), and four equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one V(1), one Mn(1), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Mn(1), one Pb(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), two equivalent Mn(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVHPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.174
_cell_length_b   7.599
_cell_length_c   9.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.737
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.250  0.635  0.810  1.0
  V  V5  1  0.750  0.865  0.310  1.0
  V  V6  1  0.250  0.135  0.690  1.0
  V  V7  1  0.750  0.365  0.190  1.0
  H  H8  1  0.250  0.772  0.478  1.0
  H  H9  1  0.750  0.728  0.978  1.0
  H  H10  1  0.250  0.272  0.022  1.0
  H  H11  1  0.750  0.228  0.522  1.0
  Pb  Pb12  1  0.250  0.632  0.176  1.0
  Pb  Pb13  1  0.750  0.868  0.676  1.0
  Pb  Pb14  1  0.250  0.132  0.324  1.0
  Pb  Pb15  1  0.750  0.368  0.824  1.0
  O  O16  1  0.750  0.542  0.085  1.0
  O  O17  1  0.013  0.626  0.706  1.0
  O  O18  1  0.487  0.626  0.706  1.0
  O  O19  1  0.250  0.658  0.427  1.0
  O  O20  1  0.750  0.684  0.427  1.0
  O  O21  1  0.250  0.816  0.927  1.0
  O  O22  1  0.750  0.842  0.927  1.0
  O  O23  1  0.513  0.874  0.206  1.0
  O  O24  1  0.987  0.874  0.206  1.0
  O  O25  1  0.250  0.958  0.585  1.0
  O  O26  1  0.750  0.042  0.415  1.0
  O  O27  1  0.013  0.126  0.794  1.0
  O  O28  1  0.487  0.126  0.794  1.0
  O  O29  1  0.250  0.158  0.073  1.0
  O  O30  1  0.750  0.184  0.073  1.0
  O  O31  1  0.250  0.316  0.573  1.0
  O  O32  1  0.750  0.342  0.573  1.0
  O  O33  1  0.513  0.374  0.294  1.0
  O  O34  1  0.987  0.374  0.294  1.0
  O  O35  1  0.250  0.458  0.915  1.0
[/CIF]
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