The material described by BPbAsO5 crystallizes in the trigonal P3_1 space group. B(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with two equivalent As(1)O4 tetrahedra. Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent B(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), two equivalent Pb(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1), one Pb(1), and one As(1) atom. is represented by the CIF card [CIF]
data_BAsPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   7.266
_cell_length_c   7.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   320.603
_cell_formula_units_Z   3
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
  B  B0  1  0.772  0.427  0.566  1.0
  B  B1  1  0.655  0.228  0.233  1.0
  B  B2  1  0.573  0.345  0.900  1.0
  As  As3  1  0.668  0.738  0.711  1.0
  As  As4  1  0.070  0.332  0.378  1.0
  As  As5  1  0.262  0.930  0.045  1.0
  Pb  Pb6  1  0.063  0.332  0.878  1.0
  Pb  Pb7  1  0.269  0.937  0.544  1.0
  Pb  Pb8  1  0.668  0.731  0.211  1.0
  O  O9  1  0.660  0.376  0.091  1.0
  O  O10  1  0.624  0.284  0.425  1.0
  O  O11  1  0.716  0.340  0.758  1.0
  O  O12  1  0.823  0.924  0.874  1.0
  O  O13  1  0.101  0.177  0.540  1.0
  O  O14  1  0.076  0.899  0.207  1.0
  O  O15  1  0.484  0.998  0.191  1.0
  O  O16  1  0.002  0.487  0.525  1.0
  O  O17  1  0.513  0.516  0.858  1.0
  O  O18  1  0.206  0.732  0.889  1.0
  O  O19  1  0.268  0.474  0.223  1.0
  O  O20  1  0.526  0.794  0.556  1.0
  O  O21  1  0.349  0.150  0.889  1.0
  O  O22  1  0.850  0.199  0.223  1.0
  O  O23  1  0.801  0.651  0.556  1.0
[/CIF]
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The material described by BPbAsO5 crystallizes in the trigonal P3_1 space group. B(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra and corners with two equivalent As(1)O4 tetrahedra. Pb(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. As(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent B(1) and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), two equivalent Pb(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one B(1), one Pb(1), and one As(1) atom. is represented by the CIF card [CIF]
data_BAsPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.266
_cell_length_b   7.266
_cell_length_c   7.012
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   320.603
_cell_formula_units_Z   3
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
  B  B0  1  0.772  0.427  0.566  1.0
  B  B1  1  0.655  0.228  0.233  1.0
  B  B2  1  0.573  0.345  0.900  1.0
  As  As3  1  0.668  0.738  0.711  1.0
  As  As4  1  0.070  0.332  0.378  1.0
  As  As5  1  0.262  0.930  0.045  1.0
  Pb  Pb6  1  0.063  0.332  0.878  1.0
  Pb  Pb7  1  0.269  0.937  0.544  1.0
  Pb  Pb8  1  0.668  0.731  0.211  1.0
  O  O9  1  0.660  0.376  0.091  1.0
  O  O10  1  0.624  0.284  0.425  1.0
  O  O11  1  0.716  0.340  0.758  1.0
  O  O12  1  0.823  0.924  0.874  1.0
  O  O13  1  0.101  0.177  0.540  1.0
  O  O14  1  0.076  0.899  0.207  1.0
  O  O15  1  0.484  0.998  0.191  1.0
  O  O16  1  0.002  0.487  0.525  1.0
  O  O17  1  0.513  0.516  0.858  1.0
  O  O18  1  0.206  0.732  0.889  1.0
  O  O19  1  0.268  0.474  0.223  1.0
  O  O20  1  0.526  0.794  0.556  1.0
  O  O21  1  0.349  0.150  0.889  1.0
  O  O22  1  0.850  0.199  0.223  1.0
  O  O23  1  0.801  0.651  0.556  1.0
[/CIF]
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