The material described by Pb2Mn(VO4)2(OH) 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(3), one O(4), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second V site, V(2) is bonded to one O(5), one O(6), and two equivalent O(7) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) 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 6-coordinate geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(7) atoms. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1), one Mn(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1) and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one Pb(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnV2HPb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   7.793
_cell_length_c   8.787
_cell_angle_alpha   110.214
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.063
_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  0.750  0.962  0.662  1.0
  V  V3  1  0.250  0.038  0.338  1.0
  V  V4  1  0.750  0.553  0.826  1.0
  V  V5  1  0.250  0.447  0.174  1.0
  H  H6  1  0.750  0.263  0.019  1.0
  H  H7  1  0.250  0.737  0.981  1.0
  Pb  Pb8  1  0.750  0.719  0.249  1.0
  Pb  Pb9  1  0.250  0.281  0.751  1.0
  Pb  Pb10  1  0.750  0.337  0.417  1.0
  Pb  Pb11  1  0.250  0.663  0.583  1.0
  O  O12  1  0.750  0.166  0.071  1.0
  O  O13  1  0.250  0.834  0.929  1.0
  O  O14  1  0.517  0.016  0.785  1.0
  O  O15  1  0.017  0.984  0.215  1.0
  O  O16  1  0.483  0.984  0.215  1.0
  O  O17  1  0.983  0.016  0.785  1.0
  O  O18  1  0.750  0.085  0.536  1.0
  O  O19  1  0.250  0.915  0.464  1.0
  O  O20  1  0.750  0.734  0.542  1.0
  O  O21  1  0.250  0.266  0.458  1.0
  O  O22  1  0.750  0.443  0.965  1.0
  O  O23  1  0.250  0.557  0.035  1.0
  O  O24  1  0.750  0.789  0.936  1.0
  O  O25  1  0.250  0.211  0.064  1.0
  O  O26  1  0.527  0.487  0.698  1.0
  O  O27  1  0.027  0.513  0.302  1.0
  O  O28  1  0.473  0.513  0.302  1.0
  O  O29  1  0.973  0.487  0.698  1.0
[/CIF]
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The material described by Pb2Mn(VO4)2(OH) 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(3), one O(4), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second V site, V(2) is bonded to one O(5), one O(6), and two equivalent O(7) atoms to form VO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) 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 6-coordinate geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(3) and four equivalent O(7) atoms. H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one H(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1), one Mn(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(1) and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one Pb(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and two equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnV2HPb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   7.793
_cell_length_c   8.787
_cell_angle_alpha   110.214
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.063
_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  0.750  0.962  0.662  1.0
  V  V3  1  0.250  0.038  0.338  1.0
  V  V4  1  0.750  0.553  0.826  1.0
  V  V5  1  0.250  0.447  0.174  1.0
  H  H6  1  0.750  0.263  0.019  1.0
  H  H7  1  0.250  0.737  0.981  1.0
  Pb  Pb8  1  0.750  0.719  0.249  1.0
  Pb  Pb9  1  0.250  0.281  0.751  1.0
  Pb  Pb10  1  0.750  0.337  0.417  1.0
  Pb  Pb11  1  0.250  0.663  0.583  1.0
  O  O12  1  0.750  0.166  0.071  1.0
  O  O13  1  0.250  0.834  0.929  1.0
  O  O14  1  0.517  0.016  0.785  1.0
  O  O15  1  0.017  0.984  0.215  1.0
  O  O16  1  0.483  0.984  0.215  1.0
  O  O17  1  0.983  0.016  0.785  1.0
  O  O18  1  0.750  0.085  0.536  1.0
  O  O19  1  0.250  0.915  0.464  1.0
  O  O20  1  0.750  0.734  0.542  1.0
  O  O21  1  0.250  0.266  0.458  1.0
  O  O22  1  0.750  0.443  0.965  1.0
  O  O23  1  0.250  0.557  0.035  1.0
  O  O24  1  0.750  0.789  0.936  1.0
  O  O25  1  0.250  0.211  0.064  1.0
  O  O26  1  0.527  0.487  0.698  1.0
  O  O27  1  0.027  0.513  0.302  1.0
  O  O28  1  0.473  0.513  0.302  1.0
  O  O29  1  0.973  0.487  0.698  1.0
[/CIF]
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