The material structure described by ZnPb2As2O9 crystallizes in the monoclinic P2_1/m space group. Zn(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent Pb(1)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form PbO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent As(1)O4 tetrahedra, and corners with three equivalent As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(6) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-67°. In the second As site, As(2) is bonded to one O(1), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Pb(2) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn(1) and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one As(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one As(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(1), one Pb(1), and one As(1) atom. is represented by the CIF card [CIF]
data_ZnAs2Pb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   8.155
_cell_length_c   9.148
_cell_angle_alpha   66.581
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.873
_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  0.500  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.250  0.021  0.349  1.0
  As  As3  1  0.750  0.979  0.651  1.0
  As  As4  1  0.250  0.579  0.165  1.0
  As  As5  1  0.750  0.421  0.835  1.0
  Pb  Pb6  1  0.250  0.727  0.736  1.0
  Pb  Pb7  1  0.750  0.273  0.264  1.0
  Pb  Pb8  1  0.250  0.298  0.647  1.0
  Pb  Pb9  1  0.750  0.702  0.353  1.0
  O  O10  1  0.250  0.543  0.993  1.0
  O  O11  1  0.750  0.457  0.007  1.0
  O  O12  1  0.250  0.138  0.463  1.0
  O  O13  1  0.750  0.862  0.537  1.0
  O  O14  1  0.250  0.151  0.908  1.0
  O  O15  1  0.750  0.849  0.092  1.0
  O  O16  1  0.250  0.791  0.468  1.0
  O  O17  1  0.750  0.209  0.532  1.0
  O  O18  1  0.250  0.800  0.136  1.0
  O  O19  1  0.750  0.200  0.864  1.0
  O  O20  1  0.492  0.485  0.279  1.0
  O  O21  1  0.508  0.515  0.721  1.0
  O  O22  1  0.992  0.515  0.721  1.0
  O  O23  1  0.008  0.485  0.279  1.0
  O  O24  1  0.995  0.927  0.771  1.0
  O  O25  1  0.005  0.073  0.229  1.0
  O  O26  1  0.495  0.073  0.229  1.0
  O  O27  1  0.505  0.927  0.771  1.0
[/CIF]
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The material structure described by ZnPb2As2O9 crystallizes in the monoclinic P2_1/m space group. Zn(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form ZnO6 octahedra that share corners with two equivalent Pb(1)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form PbO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent As(1)O4 tetrahedra, and corners with three equivalent As(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(6) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(4), and two equivalent O(7) atoms to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-67°. In the second As site, As(2) is bonded to one O(1), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with three equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Pb(2) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn(1) and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one As(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(2), and one As(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(1), one Pb(1), and one As(1) atom. is represented by the CIF card [CIF]
data_ZnAs2Pb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   8.155
_cell_length_c   9.148
_cell_angle_alpha   66.581
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.873
_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  0.500  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.250  0.021  0.349  1.0
  As  As3  1  0.750  0.979  0.651  1.0
  As  As4  1  0.250  0.579  0.165  1.0
  As  As5  1  0.750  0.421  0.835  1.0
  Pb  Pb6  1  0.250  0.727  0.736  1.0
  Pb  Pb7  1  0.750  0.273  0.264  1.0
  Pb  Pb8  1  0.250  0.298  0.647  1.0
  Pb  Pb9  1  0.750  0.702  0.353  1.0
  O  O10  1  0.250  0.543  0.993  1.0
  O  O11  1  0.750  0.457  0.007  1.0
  O  O12  1  0.250  0.138  0.463  1.0
  O  O13  1  0.750  0.862  0.537  1.0
  O  O14  1  0.250  0.151  0.908  1.0
  O  O15  1  0.750  0.849  0.092  1.0
  O  O16  1  0.250  0.791  0.468  1.0
  O  O17  1  0.750  0.209  0.532  1.0
  O  O18  1  0.250  0.800  0.136  1.0
  O  O19  1  0.750  0.200  0.864  1.0
  O  O20  1  0.492  0.485  0.279  1.0
  O  O21  1  0.508  0.515  0.721  1.0
  O  O22  1  0.992  0.515  0.721  1.0
  O  O23  1  0.008  0.485  0.279  1.0
  O  O24  1  0.995  0.927  0.771  1.0
  O  O25  1  0.005  0.073  0.229  1.0
  O  O26  1  0.495  0.073  0.229  1.0
  O  O27  1  0.505  0.927  0.771  1.0
[/CIF]
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