The crystal structure described by MnAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. Pb(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded to one Mn(1), one Al(1), and two equivalent Pb(1) atoms to form distorted corner-sharing OMnAlPb2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one B(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAlB2(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   5.993
_cell_length_c   10.112
_cell_angle_alpha   55.783
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.865
_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  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  B  B4  1  0.783  0.496  0.263  1.0
  B  B5  1  0.283  0.504  0.237  1.0
  B  B6  1  0.217  0.504  0.737  1.0
  B  B7  1  0.717  0.496  0.763  1.0
  Pb  Pb8  1  0.557  0.902  0.858  1.0
  Pb  Pb9  1  0.057  0.098  0.642  1.0
  Pb  Pb10  1  0.443  0.098  0.142  1.0
  Pb  Pb11  1  0.943  0.902  0.358  1.0
  O  O12  1  0.687  0.368  0.407  1.0
  O  O13  1  0.187  0.632  0.093  1.0
  O  O14  1  0.313  0.632  0.593  1.0
  O  O15  1  0.813  0.368  0.907  1.0
  O  O16  1  0.898  0.847  0.892  1.0
  O  O17  1  0.398  0.153  0.608  1.0
  O  O18  1  0.102  0.153  0.108  1.0
  O  O19  1  0.602  0.847  0.392  1.0
  O  O20  1  0.833  0.768  0.190  1.0
  O  O21  1  0.333  0.232  0.310  1.0
  O  O22  1  0.165  0.635  0.809  1.0
  O  O23  1  0.665  0.365  0.691  1.0
  O  O24  1  0.167  0.232  0.810  1.0
  O  O25  1  0.667  0.768  0.690  1.0
  O  O26  1  0.835  0.365  0.191  1.0
  O  O27  1  0.335  0.635  0.309  1.0
[/CIF]
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The crystal structure described by MnAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Al(1)O6 octahedra. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form AlO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. Pb(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Al(1), and one B(1) atom. In the second O site, O(2) is bonded to one Mn(1), one Al(1), and two equivalent Pb(1) atoms to form distorted corner-sharing OMnAlPb2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one B(1), and one Pb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Al(1), one B(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAlB2(PbO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   5.993
_cell_length_c   10.112
_cell_angle_alpha   55.783
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   349.865
_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  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.000  0.500  0.000  1.0
  B  B4  1  0.783  0.496  0.263  1.0
  B  B5  1  0.283  0.504  0.237  1.0
  B  B6  1  0.217  0.504  0.737  1.0
  B  B7  1  0.717  0.496  0.763  1.0
  Pb  Pb8  1  0.557  0.902  0.858  1.0
  Pb  Pb9  1  0.057  0.098  0.642  1.0
  Pb  Pb10  1  0.443  0.098  0.142  1.0
  Pb  Pb11  1  0.943  0.902  0.358  1.0
  O  O12  1  0.687  0.368  0.407  1.0
  O  O13  1  0.187  0.632  0.093  1.0
  O  O14  1  0.313  0.632  0.593  1.0
  O  O15  1  0.813  0.368  0.907  1.0
  O  O16  1  0.898  0.847  0.892  1.0
  O  O17  1  0.398  0.153  0.608  1.0
  O  O18  1  0.102  0.153  0.108  1.0
  O  O19  1  0.602  0.847  0.392  1.0
  O  O20  1  0.833  0.768  0.190  1.0
  O  O21  1  0.333  0.232  0.310  1.0
  O  O22  1  0.165  0.635  0.809  1.0
  O  O23  1  0.665  0.365  0.691  1.0
  O  O24  1  0.167  0.232  0.810  1.0
  O  O25  1  0.667  0.768  0.690  1.0
  O  O26  1  0.835  0.365  0.191  1.0
  O  O27  1  0.335  0.635  0.309  1.0
[/CIF]
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