The material described by FeZnAs4(Pb2O9)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form FeO6 octahedra that share 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. Zn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and  a cornercorner with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second As site, As(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and  a cornercorner with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Pb(2) and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Pb(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Pb(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Pb(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one 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 3-coordinate geometry to one Pb(1), one Pb(2), and one As(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Zn(1), and one Pb(2) atom. is represented by the CIF file [CIF]
data_ZnFeAs4(Pb2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   8.067
_cell_length_c   9.037
_cell_angle_alpha   113.052
_cell_angle_beta   90.288
_cell_angle_gamma   90.588
_symmetry_Int_Tables_number   1
_cell_volume   405.129
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.254  0.020  0.340  1.0
  As  As3  1  0.746  0.980  0.660  1.0
  As  As4  1  0.244  0.431  0.169  1.0
  As  As5  1  0.756  0.569  0.831  1.0
  Pb  Pb6  1  0.253  0.305  0.751  1.0
  Pb  Pb7  1  0.747  0.695  0.249  1.0
  Pb  Pb8  1  0.247  0.721  0.625  1.0
  Pb  Pb9  1  0.753  0.279  0.375  1.0
  O  O10  1  0.244  0.882  0.441  1.0
  O  O11  1  0.756  0.118  0.559  1.0
  O  O12  1  0.497  0.985  0.229  1.0
  O  O13  1  0.987  0.020  0.780  1.0
  O  O14  1  0.503  0.015  0.771  1.0
  O  O15  1  0.013  0.980  0.220  1.0
  O  O16  1  0.249  0.519  0.024  1.0
  O  O17  1  0.751  0.481  0.976  1.0
  O  O18  1  0.240  0.197  0.075  1.0
  O  O19  1  0.760  0.803  0.925  1.0
  O  O20  1  0.481  0.493  0.287  1.0
  O  O21  1  0.983  0.497  0.707  1.0
  O  O22  1  0.519  0.507  0.713  1.0
  O  O23  1  0.017  0.503  0.293  1.0
  O  O24  1  0.251  0.246  0.465  1.0
  O  O25  1  0.749  0.754  0.535  1.0
  O  O26  1  0.229  0.847  0.921  1.0
  O  O27  1  0.771  0.153  0.079  1.0
[/CIF]
.
The material described by FeZnAs4(Pb2O9)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form FeO6 octahedra that share 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. Zn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(9) atoms to form ZnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and  a cornercorner with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the second As site, As(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and  a cornercorner with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Pb(2) and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one Pb(2), and one As(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1), one Pb(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Pb(1) and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Fe(1), one 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 3-coordinate geometry to one Pb(1), one Pb(2), and one As(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Pb(1) and one As(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1), one Zn(1), and one Pb(2) atom. is represented by the CIF file [CIF]
data_ZnFeAs4(Pb2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   8.067
_cell_length_c   9.037
_cell_angle_alpha   113.052
_cell_angle_beta   90.288
_cell_angle_gamma   90.588
_symmetry_Int_Tables_number   1
_cell_volume   405.129
_cell_formula_units_Z   1
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
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.254  0.020  0.340  1.0
  As  As3  1  0.746  0.980  0.660  1.0
  As  As4  1  0.244  0.431  0.169  1.0
  As  As5  1  0.756  0.569  0.831  1.0
  Pb  Pb6  1  0.253  0.305  0.751  1.0
  Pb  Pb7  1  0.747  0.695  0.249  1.0
  Pb  Pb8  1  0.247  0.721  0.625  1.0
  Pb  Pb9  1  0.753  0.279  0.375  1.0
  O  O10  1  0.244  0.882  0.441  1.0
  O  O11  1  0.756  0.118  0.559  1.0
  O  O12  1  0.497  0.985  0.229  1.0
  O  O13  1  0.987  0.020  0.780  1.0
  O  O14  1  0.503  0.015  0.771  1.0
  O  O15  1  0.013  0.980  0.220  1.0
  O  O16  1  0.249  0.519  0.024  1.0
  O  O17  1  0.751  0.481  0.976  1.0
  O  O18  1  0.240  0.197  0.075  1.0
  O  O19  1  0.760  0.803  0.925  1.0
  O  O20  1  0.481  0.493  0.287  1.0
  O  O21  1  0.983  0.497  0.707  1.0
  O  O22  1  0.519  0.507  0.713  1.0
  O  O23  1  0.017  0.503  0.293  1.0
  O  O24  1  0.251  0.246  0.465  1.0
  O  O25  1  0.749  0.754  0.535  1.0
  O  O26  1  0.229  0.847  0.921  1.0
  O  O27  1  0.771  0.153  0.079  1.0
[/CIF]
.