data_MnV2(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   6.59
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   111.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2(PbO4)2
_chemical_formula_sum   'Mn2 V4 Pb4 O16'
_cell_volume   411.61
_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  0.0  0.29  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.79  0.65  0.34  1.0
  V  V3  1  0.3  0.94  0.04  1.0
  V  V4  1  0.19  0.65  0.83  1.0
  V  V5  1  0.9  0.94  0.55  1.0
  Pb  Pb6  1  0.46  0.65  0.24  1.0
  Pb  Pb7  1  0.62  0.94  0.13  1.0
  Pb  Pb8  1  1.0  0.65  0.52  1.0
  Pb  Pb9  1  0.09  0.94  0.86  1.0
  O  O10  1  0.64  0.13  0.86  1.0
  O  O11  1  0.45  0.45  0.52  1.0
  O  O12  1  0.45  0.43  0.52  1.0
  O  O13  1  0.64  0.16  0.86  1.0
  O  O14  1  0.56  0.65  0.89  1.0
  O  O15  1  0.53  0.94  0.49  1.0
  O  O16  1  0.3  0.65  0.9  1.0
  O  O17  1  0.78  0.94  0.47  1.0
  O  O18  1  0.88  0.04  0.43  1.0
  O  O19  1  0.2  0.55  0.95  1.0
  O  O20  1  0.2  0.33  0.95  1.0
  O  O21  1  0.88  0.26  0.43  1.0
  O  O22  1  0.06  0.65  0.22  1.0
  O  O23  1  0.03  0.94  0.16  1.0
  O  O24  1  0.26  0.65  0.38  1.0
  O  O25  1  0.83  0.94  1.0  1.0

data_MnV2(PbO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   7.46
_cell_length_c   9.03
_cell_angle_alpha   111.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2(PbO4)2
_chemical_formula_sum   'Mn2 V4 Pb4 O16'
_cell_volume   411.61
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.71  0.0  0.0  1.0
  V  V2  1  0.06  0.1  0.45  1.0
  V  V3  1  0.06  0.7  0.96  1.0
  V  V4  1  0.35  0.21  0.66  1.0
  V  V5  1  0.35  0.81  0.17  1.0
  Pb  Pb6  1  0.06  0.38  0.87  1.0
  Pb  Pb7  1  0.06  0.91  0.14  1.0
  Pb  Pb8  1  0.35  0.0  0.48  1.0
  Pb  Pb9  1  0.35  0.54  0.76  1.0
  O  O10  1  0.06  0.17  0.0  1.0
  O  O11  1  0.06  0.22  0.53  1.0
  O  O12  1  0.06  0.47  0.51  1.0
  O  O13  1  0.06  0.97  0.84  1.0
  O  O14  1  0.35  0.44  0.11  1.0
  O  O15  1  0.35  0.7  0.1  1.0
  O  O16  1  0.35  0.74  0.62  1.0
  O  O17  1  0.35  0.94  0.78  1.0
  O  O18  1  0.45  0.8  0.05  1.0
  O  O19  1  0.55  0.55  0.48  1.0
  O  O20  1  0.57  0.55  0.48  1.0
  O  O21  1  0.67  0.8  0.05  1.0
  O  O22  1  0.74  0.12  0.57  1.0
  O  O23  1  0.84  0.36  0.14  1.0
  O  O24  1  0.87  0.36  0.14  1.0
  O  O25  1  0.96  0.12  0.57  1.0

Mn Mn V V V V Pb Pb Pb Pb O O O O O O O O O O O O O O O O
Mn Mn V V V V Pb Pb Pb Pb O O O O O O O O O O O O O O O O 0 1 o o o 0 20 o o - 1 25 - - - 1 23 o - o 1 3 o - o 1 9 o - - 2 8 o o o 2 6 o o o 2 7 o o o 3 9 o o - 3 16 o o - 3 7 o o o 3 6 o o o 4 16 o o o 4 19 o o o 5 17 o o o 5 8 o o o 5 18 o + o 6 19 o o - 6 12 o o o 6 11 o o o 6 16 o o - 6 24 o o o 6 22 o o o 6 7 o o o 6 15 o o o 7 14 o o - 7 23 + o o 7 13 o + - 7 10 o + - 7 25 o o - 7 18 o + o 7 17 o o o 10 13 o o o 11 12 o o o 11 24 o o o 14 16 o o o 15 17 o o o 16 19 o o o 17 18 o + o 18 21 o o o 19 20 o o o 22 24 o o o 23 25 - o - 
V2Mn(PbO4)2 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Pb(1), one Pb(2), one Pb(3), one O(12), one O(13), and one O(8) atom. The V(1)-Pb(1) bond length is 2.26 Å. The V(1)-Pb(2) bond length is 2.66 Å. The V(1)-Pb(3) bond length is 1.79 Å. The V(1)-O(12) bond length is 2.70 Å. The V(1)-O(13) bond length is 2.64 Å. The V(1)-O(8) bond length is 2.28 Å. In the second V site, V(2) is bonded in a 8-coordinate geometry to one Mn(2), one Pb(1), one Pb(2), one Pb(4), one O(10), one O(11), one O(14), and one O(7) atom. The V(2)-Mn(2) bond length is 2.16 Å. The V(2)-Pb(1) bond length is 2.66 Å. The V(2)-Pb(2) bond length is 2.26 Å. The V(2)-Pb(4) bond length is 1.79 Å. The V(2)-O(10) bond length is 2.70 Å. The V(2)-O(11) bond length is 2.70 Å. The V(2)-O(14) bond length is 2.64 Å. The V(2)-O(7) bond length is 2.28 Å. In the third V site, V(3) is bonded in a 2-coordinate geometry to one Pb(3), one O(10), and one O(7) atom. The V(3)-Pb(3) bond length is 2.61 Å. The V(3)-O(10) bond length is 1.21 Å. The V(3)-O(7) bond length is 0.88 Å. In the fourth V site, V(4) is bonded in a 1-coordinate geometry to one Pb(3), one O(8), and one O(9) atom. The V(4)-Pb(3) bond length is 2.10 Å. The V(4)-O(8) bond length is 0.88 Å. The V(4)-O(9) bond length is 1.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one O(11) and one O(4) atom. The Mn(1)-O(11) bond length is 1.76 Å. The Mn(1)-O(4) bond length is 2.65 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one V(2), one Pb(4), one O(14), and one O(16) atom. The Mn(2)-Pb(4) bond length is 1.72 Å. The Mn(2)-O(14) bond length is 1.41 Å. The Mn(2)-O(16) bond length is 1.33 Å. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to one V(1), one V(2), one O(15), and one O(6) atom. The Pb(1)-O(15) bond length is 2.28 Å. The Pb(1)-O(6) bond length is 2.83 Å. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to one V(1), one V(2), one O(16), and one O(5) atom. The Pb(2)-O(16) bond length is 2.28 Å. The Pb(2)-O(5) bond length is 2.83 Å. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one V(1), one V(3), one V(4), one O(12), and one O(15) atom. The Pb(3)-O(12) bond length is 2.74 Å. The Pb(3)-O(15) bond length is 2.70 Å. In the fourth Pb site, Pb(4) is bonded in a 2-coordinate geometry to one V(2) and one Mn(2) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one O(4) atom. The O(1)-O(4) bond length is 0.19 Å. In the second O site, O(2) is bonded in a single-bond geometry to one O(15) and one O(3) atom. The O(2)-O(15) bond length is 1.95 Å. The O(2)-O(3) bond length is 0.19 Å. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Mn(1) and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one Pb(2) and one O(7) atom. The O(5)-O(7) bond length is 1.97 Å. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Pb(1) and one O(8) atom. The O(6)-O(8) bond length is 1.97 Å. In the seventh O site, O(7) is bonded in a single-bond geometry to one V(2), one V(3), and one O(5) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one V(1), one V(4), and one O(6) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one V(4) and one O(12) atom. The O(9)-O(12) bond length is 1.45 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(2) and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(1), one Pb(3), and one O(9) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one V(1) and one O(15) atom. The O(13)-O(15) bond length is 1.61 Å. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one V(2) and one Mn(2) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Pb(1), one Pb(3), one O(13), and one O(2) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Mn(2) and one Pb(2) atom.