The material described by ZnBPbP2O9 crystallizes in the triclinic P-1 space group. Zn(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form ZnO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. B(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Zn(1), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Pb(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Zn(1), one Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one B(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one B(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Zn(1), one Pb(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Zn(1), one Pb(1), and one P(2) atom. is represented by the CIF file [CIF]
data_ZnBP2PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   7.999
_cell_length_c   8.298
_cell_angle_alpha   89.308
_cell_angle_beta   79.469
_cell_angle_gamma   88.031
_symmetry_Int_Tables_number   1
_cell_volume   347.667
_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
  Zn  Zn0  1  0.723  0.804  0.203  1.0
  Zn  Zn1  1  0.277  0.196  0.797  1.0
  B  B2  1  0.885  0.747  0.544  1.0
  B  B3  1  0.115  0.253  0.456  1.0
  P  P4  1  0.800  0.433  0.700  1.0
  P  P5  1  0.200  0.567  0.300  1.0
  P  P6  1  0.770  0.938  0.820  1.0
  P  P7  1  0.230  0.062  0.180  1.0
  Pb  Pb8  1  0.271  0.697  0.910  1.0
  Pb  Pb9  1  0.729  0.303  0.090  1.0
  O  O10  1  0.980  0.563  0.203  1.0
  O  O11  1  0.020  0.437  0.797  1.0
  O  O12  1  0.947  0.875  0.655  1.0
  O  O13  1  0.053  0.125  0.345  1.0
  O  O14  1  0.898  0.094  0.867  1.0
  O  O15  1  0.102  0.906  0.133  1.0
  O  O16  1  0.866  0.317  0.547  1.0
  O  O17  1  0.134  0.683  0.453  1.0
  O  O18  1  0.776  0.789  0.943  1.0
  O  O19  1  0.224  0.211  0.057  1.0
  O  O20  1  0.732  0.613  0.636  1.0
  O  O21  1  0.268  0.387  0.364  1.0
  O  O22  1  0.712  0.821  0.446  1.0
  O  O23  1  0.288  0.179  0.554  1.0
  O  O24  1  0.553  0.379  0.812  1.0
  O  O25  1  0.447  0.621  0.188  1.0
  O  O26  1  0.490  0.971  0.800  1.0
  O  O27  1  0.510  0.029  0.200  1.0
[/CIF]
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The material described by ZnBPbP2O9 crystallizes in the triclinic P-1 space group. Zn(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form ZnO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. B(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-63°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Zn(1), one Pb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Pb(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Zn(1), one Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one B(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one B(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Zn(1), one Pb(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Zn(1), one Pb(1), and one P(2) atom. is represented by the CIF file [CIF]
data_ZnBP2PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   7.999
_cell_length_c   8.298
_cell_angle_alpha   89.308
_cell_angle_beta   79.469
_cell_angle_gamma   88.031
_symmetry_Int_Tables_number   1
_cell_volume   347.667
_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
  Zn  Zn0  1  0.723  0.804  0.203  1.0
  Zn  Zn1  1  0.277  0.196  0.797  1.0
  B  B2  1  0.885  0.747  0.544  1.0
  B  B3  1  0.115  0.253  0.456  1.0
  P  P4  1  0.800  0.433  0.700  1.0
  P  P5  1  0.200  0.567  0.300  1.0
  P  P6  1  0.770  0.938  0.820  1.0
  P  P7  1  0.230  0.062  0.180  1.0
  Pb  Pb8  1  0.271  0.697  0.910  1.0
  Pb  Pb9  1  0.729  0.303  0.090  1.0
  O  O10  1  0.980  0.563  0.203  1.0
  O  O11  1  0.020  0.437  0.797  1.0
  O  O12  1  0.947  0.875  0.655  1.0
  O  O13  1  0.053  0.125  0.345  1.0
  O  O14  1  0.898  0.094  0.867  1.0
  O  O15  1  0.102  0.906  0.133  1.0
  O  O16  1  0.866  0.317  0.547  1.0
  O  O17  1  0.134  0.683  0.453  1.0
  O  O18  1  0.776  0.789  0.943  1.0
  O  O19  1  0.224  0.211  0.057  1.0
  O  O20  1  0.732  0.613  0.636  1.0
  O  O21  1  0.268  0.387  0.364  1.0
  O  O22  1  0.712  0.821  0.446  1.0
  O  O23  1  0.288  0.179  0.554  1.0
  O  O24  1  0.553  0.379  0.812  1.0
  O  O25  1  0.447  0.621  0.188  1.0
  O  O26  1  0.490  0.971  0.800  1.0
  O  O27  1  0.510  0.029  0.200  1.0
[/CIF]
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