The compound described by MgFe3Pb4O8Cl crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(2), one Pb(4), and two equivalent Cl(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(8) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(5), and two equivalent O(7) atoms. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(5), and two equivalent O(7) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(6) atom. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(3), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(3), one Pb(1), and one Pb(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Pb(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Pb(4) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Pb(3) atom. In the fifth O site, O(5) is bonded to two equivalent Fe(2) and two equivalent Pb(2) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(3), one Pb(1), and one Pb(3) atom. In the seventh O site, O(7) is bonded to two equivalent Fe(2) and two equivalent Pb(2) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Fe(1) and two equivalent Pb(4) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. Cl(1) is bonded in a water-like geometry to two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_MgFe3Pb4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.045
_cell_length_b   4.007
_cell_length_c   17.621
_cell_angle_alpha   90.053
_cell_angle_beta   90.080
_cell_angle_gamma   90.461
_symmetry_Int_Tables_number   1
_cell_volume   285.537
_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
  Mg  Mg0  1  0.867  0.998  0.119  1.0
  Fe  Fe1  1  0.494  0.494  0.847  1.0
  Fe  Fe2  1  0.488  0.489  0.390  1.0
  Fe  Fe3  1  0.487  0.506  0.619  1.0
  Pb  Pb4  1  0.047  0.958  0.722  1.0
  Pb  Pb5  1  0.988  0.989  0.284  1.0
  Pb  Pb6  1  0.035  0.946  0.516  1.0
  Pb  Pb7  1  0.994  0.995  0.954  1.0
  Cl  Cl8  1  0.487  0.494  0.119  1.0
  O  O9  1  0.431  0.022  0.619  1.0
  O  O10  1  0.445  0.535  0.736  1.0
  O  O11  1  0.991  0.495  0.893  1.0
  O  O12  1  0.452  0.542  0.501  1.0
  O  O13  1  0.484  0.992  0.343  1.0
  O  O14  1  0.967  0.556  0.618  1.0
  O  O15  1  0.985  0.491  0.345  1.0
  O  O16  1  0.490  0.997  0.894  1.0
[/CIF]
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The compound described by MgFe3Pb4O8Cl crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(2), one Pb(4), and two equivalent Cl(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(8) atoms. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(5), and two equivalent O(7) atoms. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(5), and two equivalent O(7) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(6) atom. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(3), and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(3), one Pb(1), and one Pb(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Pb(1) atom. In the third O site, O(3) is bonded to two equivalent Fe(1) and two equivalent Pb(4) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Pb(3) atom. In the fifth O site, O(5) is bonded to two equivalent Fe(2) and two equivalent Pb(2) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Fe(3), one Pb(1), and one Pb(3) atom. In the seventh O site, O(7) is bonded to two equivalent Fe(2) and two equivalent Pb(2) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Fe(1) and two equivalent Pb(4) atoms to form a mixture of distorted edge and corner-sharing OFe2Pb2 tetrahedra. Cl(1) is bonded in a water-like geometry to two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_MgFe3Pb4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.045
_cell_length_b   4.007
_cell_length_c   17.621
_cell_angle_alpha   90.053
_cell_angle_beta   90.080
_cell_angle_gamma   90.461
_symmetry_Int_Tables_number   1
_cell_volume   285.537
_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
  Mg  Mg0  1  0.867  0.998  0.119  1.0
  Fe  Fe1  1  0.494  0.494  0.847  1.0
  Fe  Fe2  1  0.488  0.489  0.390  1.0
  Fe  Fe3  1  0.487  0.506  0.619  1.0
  Pb  Pb4  1  0.047  0.958  0.722  1.0
  Pb  Pb5  1  0.988  0.989  0.284  1.0
  Pb  Pb6  1  0.035  0.946  0.516  1.0
  Pb  Pb7  1  0.994  0.995  0.954  1.0
  Cl  Cl8  1  0.487  0.494  0.119  1.0
  O  O9  1  0.431  0.022  0.619  1.0
  O  O10  1  0.445  0.535  0.736  1.0
  O  O11  1  0.991  0.495  0.893  1.0
  O  O12  1  0.452  0.542  0.501  1.0
  O  O13  1  0.484  0.992  0.343  1.0
  O  O14  1  0.967  0.556  0.618  1.0
  O  O15  1  0.985  0.491  0.345  1.0
  O  O16  1  0.490  0.997  0.894  1.0
[/CIF]
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