The material described by PbGaBO4 crystallizes in the orthorhombic Pnma space group. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing GaO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Ga(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ga(1), one B(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   7.120
_cell_length_c   8.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.974
_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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.000  0.000  1.0
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.500  1.0
  B  B4  1  0.750  0.222  0.736  1.0
  B  B5  1  0.250  0.778  0.264  1.0
  B  B6  1  0.750  0.722  0.764  1.0
  B  B7  1  0.250  0.278  0.236  1.0
  Pb  Pb8  1  0.750  0.936  0.357  1.0
  Pb  Pb9  1  0.250  0.064  0.643  1.0
  Pb  Pb10  1  0.750  0.436  0.143  1.0
  Pb  Pb11  1  0.250  0.564  0.857  1.0
  O  O12  1  0.250  0.179  0.093  1.0
  O  O13  1  0.750  0.821  0.907  1.0
  O  O14  1  0.250  0.679  0.407  1.0
  O  O15  1  0.750  0.321  0.593  1.0
  O  O16  1  0.250  0.900  0.887  1.0
  O  O17  1  0.750  0.100  0.113  1.0
  O  O18  1  0.250  0.400  0.613  1.0
  O  O19  1  0.750  0.600  0.387  1.0
  O  O20  1  0.048  0.828  0.193  1.0
  O  O21  1  0.548  0.172  0.807  1.0
  O  O22  1  0.452  0.328  0.307  1.0
  O  O23  1  0.952  0.672  0.693  1.0
  O  O24  1  0.952  0.172  0.807  1.0
  O  O25  1  0.452  0.828  0.193  1.0
  O  O26  1  0.548  0.672  0.693  1.0
  O  O27  1  0.048  0.328  0.307  1.0
[/CIF]
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The material described by PbGaBO4 crystallizes in the orthorhombic Pnma space group. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing GaO6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ga(1) and one B(1) atom. In the second O site, O(2) is bonded to two equivalent Ga(1) and two equivalent Pb(1) atoms to form distorted corner-sharing OGa2Pb2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ga(1), one B(1), and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaBPbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   7.120
_cell_length_c   8.396
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.974
_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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.000  0.000  1.0
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.500  1.0
  B  B4  1  0.750  0.222  0.736  1.0
  B  B5  1  0.250  0.778  0.264  1.0
  B  B6  1  0.750  0.722  0.764  1.0
  B  B7  1  0.250  0.278  0.236  1.0
  Pb  Pb8  1  0.750  0.936  0.357  1.0
  Pb  Pb9  1  0.250  0.064  0.643  1.0
  Pb  Pb10  1  0.750  0.436  0.143  1.0
  Pb  Pb11  1  0.250  0.564  0.857  1.0
  O  O12  1  0.250  0.179  0.093  1.0
  O  O13  1  0.750  0.821  0.907  1.0
  O  O14  1  0.250  0.679  0.407  1.0
  O  O15  1  0.750  0.321  0.593  1.0
  O  O16  1  0.250  0.900  0.887  1.0
  O  O17  1  0.750  0.100  0.113  1.0
  O  O18  1  0.250  0.400  0.613  1.0
  O  O19  1  0.750  0.600  0.387  1.0
  O  O20  1  0.048  0.828  0.193  1.0
  O  O21  1  0.548  0.172  0.807  1.0
  O  O22  1  0.452  0.328  0.307  1.0
  O  O23  1  0.952  0.672  0.693  1.0
  O  O24  1  0.952  0.172  0.807  1.0
  O  O25  1  0.452  0.828  0.193  1.0
  O  O26  1  0.548  0.672  0.693  1.0
  O  O27  1  0.048  0.328  0.307  1.0
[/CIF]
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