The material described by MgV2Pb3O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(7) atom. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one O(3), one O(6), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Pb(1), and one Pb(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Pb(2), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Pb(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Pb(1), and one Pb(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2Pb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.990
_cell_length_b   5.903
_cell_length_c   8.584
_cell_angle_alpha   70.728
_cell_angle_beta   67.383
_cell_angle_gamma   66.543
_symmetry_Int_Tables_number   1
_cell_volume   251.354
_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
  Mg  Mg0  1  0.967  0.005  0.761  1.0
  V  V1  1  0.649  0.656  0.177  1.0
  V  V2  1  0.332  0.365  0.801  1.0
  Pb  Pb3  1  0.265  0.329  0.307  1.0
  Pb  Pb4  1  0.667  0.721  0.611  1.0
  Pb  Pb5  1  0.020  0.010  0.102  1.0
  O  O6  1  0.751  0.806  0.961  1.0
  O  O7  1  0.252  0.324  0.032  1.0
  O  O8  1  0.764  0.721  0.319  1.0
  O  O9  1  0.201  0.202  0.735  1.0
  O  O10  1  0.682  0.311  0.231  1.0
  O  O11  1  0.263  0.709  0.692  1.0
  O  O12  1  0.293  0.727  0.256  1.0
  O  O13  1  0.686  0.303  0.698  1.0
[/CIF]
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The material described by MgV2Pb3O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), one O(6), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(7) atom. In the second Pb site, Pb(2) is bonded in a distorted T-shaped geometry to one O(3), one O(6), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Pb(1), and one Pb(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Pb(2), and one Pb(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one Pb(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one Pb(1), and one Pb(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2Pb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.990
_cell_length_b   5.903
_cell_length_c   8.584
_cell_angle_alpha   70.728
_cell_angle_beta   67.383
_cell_angle_gamma   66.543
_symmetry_Int_Tables_number   1
_cell_volume   251.354
_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
  Mg  Mg0  1  0.967  0.005  0.761  1.0
  V  V1  1  0.649  0.656  0.177  1.0
  V  V2  1  0.332  0.365  0.801  1.0
  Pb  Pb3  1  0.265  0.329  0.307  1.0
  Pb  Pb4  1  0.667  0.721  0.611  1.0
  Pb  Pb5  1  0.020  0.010  0.102  1.0
  O  O6  1  0.751  0.806  0.961  1.0
  O  O7  1  0.252  0.324  0.032  1.0
  O  O8  1  0.764  0.721  0.319  1.0
  O  O9  1  0.201  0.202  0.735  1.0
  O  O10  1  0.682  0.311  0.231  1.0
  O  O11  1  0.263  0.709  0.692  1.0
  O  O12  1  0.293  0.727  0.256  1.0
  O  O13  1  0.686  0.303  0.698  1.0
[/CIF]
.