The material described by PbMnBO4 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OMn2Pb2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one B(1) atom. 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   6.814
_cell_length_c   8.764
_cell_angle_alpha   90.005
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   362.896
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  1.000  0.000  0.000  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  B  B4  1  0.250  0.797  0.737  1.0
  B  B5  1  0.250  0.297  0.763  1.0
  B  B6  1  0.750  0.203  0.263  1.0
  B  B7  1  0.750  0.703  0.237  1.0
  Pb  Pb8  1  0.250  0.536  0.150  1.0
  Pb  Pb9  1  0.250  0.036  0.350  1.0
  Pb  Pb10  1  0.750  0.464  0.850  1.0
  Pb  Pb11  1  0.750  0.964  0.650  1.0
  O  O12  1  0.250  0.890  0.102  1.0
  O  O13  1  0.250  0.390  0.398  1.0
  O  O14  1  0.750  0.109  0.898  1.0
  O  O15  1  0.750  0.610  0.602  1.0
  O  O16  1  0.250  0.721  0.593  1.0
  O  O17  1  0.250  0.221  0.907  1.0
  O  O18  1  0.750  0.279  0.407  1.0
  O  O19  1  0.750  0.779  0.093  1.0
  O  O20  1  0.050  0.839  0.811  1.0
  O  O21  1  0.450  0.338  0.689  1.0
  O  O22  1  0.550  0.161  0.189  1.0
  O  O23  1  0.950  0.662  0.311  1.0
  O  O24  1  0.950  0.162  0.189  1.0
  O  O25  1  0.550  0.662  0.311  1.0
  O  O26  1  0.450  0.838  0.811  1.0
  O  O27  1  0.050  0.339  0.689  1.0
[/CIF]
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The material described by PbMnBO4 crystallizes in the orthorhombic Pnma space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OMn2Pb2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one B(1) atom. 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   6.814
_cell_length_c   8.764
_cell_angle_alpha   90.005
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   362.896
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  1.000  0.000  0.000  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  B  B4  1  0.250  0.797  0.737  1.0
  B  B5  1  0.250  0.297  0.763  1.0
  B  B6  1  0.750  0.203  0.263  1.0
  B  B7  1  0.750  0.703  0.237  1.0
  Pb  Pb8  1  0.250  0.536  0.150  1.0
  Pb  Pb9  1  0.250  0.036  0.350  1.0
  Pb  Pb10  1  0.750  0.464  0.850  1.0
  Pb  Pb11  1  0.750  0.964  0.650  1.0
  O  O12  1  0.250  0.890  0.102  1.0
  O  O13  1  0.250  0.390  0.398  1.0
  O  O14  1  0.750  0.109  0.898  1.0
  O  O15  1  0.750  0.610  0.602  1.0
  O  O16  1  0.250  0.721  0.593  1.0
  O  O17  1  0.250  0.221  0.907  1.0
  O  O18  1  0.750  0.279  0.407  1.0
  O  O19  1  0.750  0.779  0.093  1.0
  O  O20  1  0.050  0.839  0.811  1.0
  O  O21  1  0.450  0.338  0.689  1.0
  O  O22  1  0.550  0.161  0.189  1.0
  O  O23  1  0.950  0.662  0.311  1.0
  O  O24  1  0.950  0.162  0.189  1.0
  O  O25  1  0.550  0.662  0.311  1.0
  O  O26  1  0.450  0.838  0.811  1.0
  O  O27  1  0.050  0.339  0.689  1.0
[/CIF]
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