The material structure described by FePb4As2(O2Cl)4 crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a distorted square co-planar geometry to two equivalent O(3), two equivalent O(4), and two equivalent Cl(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent Cl(1) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. As(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pb(2), two equivalent Pb(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing OAsPb3 tetrahedra. In the second O site, O(2) is bonded to one Pb(2), two equivalent Pb(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing OAsPb3 tetrahedra. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Fe(1) and one Pb(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeAs2Pb4(ClO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   6.609
_cell_length_c   10.328
_cell_angle_alpha   101.324
_cell_angle_beta   96.974
_cell_angle_gamma   90.665
_symmetry_Int_Tables_number   1
_cell_volume   365.888
_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
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  As  As1  1  0.206  0.684  0.307  1.0
  As  As2  1  0.794  0.316  0.693  1.0
  Pb  Pb3  1  0.757  0.797  0.546  1.0
  Pb  Pb4  1  0.243  0.203  0.454  1.0
  Pb  Pb5  1  0.693  0.903  0.163  1.0
  Pb  Pb6  1  0.307  0.097  0.837  1.0
  Cl  Cl7  1  0.273  0.636  0.616  1.0
  Cl  Cl8  1  0.727  0.364  0.384  1.0
  Cl  Cl9  1  0.849  0.792  0.869  1.0
  Cl  Cl10  1  0.151  0.208  0.131  1.0
  O  O11  1  0.464  0.864  0.357  1.0
  O  O12  1  0.536  0.136  0.643  1.0
  O  O13  1  0.977  0.867  0.361  1.0
  O  O14  1  0.023  0.133  0.639  1.0
  O  O15  1  0.170  0.710  0.135  1.0
  O  O16  1  0.830  0.290  0.866  1.0
  O  O17  1  0.727  0.547  0.086  1.0
  O  O18  1  0.273  0.453  0.914  1.0
[/CIF]
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The material structure described by FePb4As2(O2Cl)4 crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a distorted square co-planar geometry to two equivalent O(3), two equivalent O(4), and two equivalent Cl(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent Cl(1) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. As(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pb(2), two equivalent Pb(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing OAsPb3 tetrahedra. In the second O site, O(2) is bonded to one Pb(2), two equivalent Pb(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing OAsPb3 tetrahedra. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Fe(1) and one Pb(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeAs2Pb4(ClO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.511
_cell_length_b   6.609
_cell_length_c   10.328
_cell_angle_alpha   101.324
_cell_angle_beta   96.974
_cell_angle_gamma   90.665
_symmetry_Int_Tables_number   1
_cell_volume   365.888
_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
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  As  As1  1  0.206  0.684  0.307  1.0
  As  As2  1  0.794  0.316  0.693  1.0
  Pb  Pb3  1  0.757  0.797  0.546  1.0
  Pb  Pb4  1  0.243  0.203  0.454  1.0
  Pb  Pb5  1  0.693  0.903  0.163  1.0
  Pb  Pb6  1  0.307  0.097  0.837  1.0
  Cl  Cl7  1  0.273  0.636  0.616  1.0
  Cl  Cl8  1  0.727  0.364  0.384  1.0
  Cl  Cl9  1  0.849  0.792  0.869  1.0
  Cl  Cl10  1  0.151  0.208  0.131  1.0
  O  O11  1  0.464  0.864  0.357  1.0
  O  O12  1  0.536  0.136  0.643  1.0
  O  O13  1  0.977  0.867  0.361  1.0
  O  O14  1  0.023  0.133  0.639  1.0
  O  O15  1  0.170  0.710  0.135  1.0
  O  O16  1  0.830  0.290  0.866  1.0
  O  O17  1  0.727  0.547  0.086  1.0
  O  O18  1  0.273  0.453  0.914  1.0
[/CIF]
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