The material described by Fe2Pb(SeO3)4 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom. Pb(1) is bonded in a 6-coordinate geometry to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(2), and one O(6) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(3), and one O(7) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(4), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Se(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1), one Pb(1), and one Se(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Pb(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Pb(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Pb(1), and one Se(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Pb(1), and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(2), one Pb(1), and one Se(4) atom. is represented by the CIF file [CIF]
data_Fe2Pb(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.983
_cell_length_c   7.756
_cell_angle_alpha   93.459
_cell_angle_beta   90.416
_cell_angle_gamma   95.051
_symmetry_Int_Tables_number   1
_cell_volume   285.463
_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  0.002  0.000  0.502  1.0
  Fe  Fe1  1  0.498  0.500  0.998  1.0
  O  O2  1  0.990  0.716  0.434  1.0
  O  O3  1  0.011  0.284  0.566  1.0
  O  O4  1  0.295  0.988  0.663  1.0
  O  O5  1  0.709  0.012  0.332  1.0
  O  O6  1  0.844  0.655  0.092  1.0
  O  O7  1  0.156  0.348  0.908  1.0
  O  O8  1  0.778  0.929  0.706  1.0
  O  O9  1  0.221  0.071  0.292  1.0
  O  O10  1  0.322  0.592  0.210  1.0
  O  O11  1  0.680  0.402  0.792  1.0
  O  O12  1  0.425  0.750  0.891  1.0
  O  O13  1  0.585  0.251  0.110  1.0
  Pb  Pb14  1  0.949  0.007  0.014  1.0
  Se  Se15  1  0.005  0.554  0.260  1.0
  Se  Se16  1  0.995  0.446  0.740  1.0
  Se  Se17  1  0.480  0.800  0.677  1.0
  Se  Se18  1  0.517  0.199  0.323  1.0
[/CIF]
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The material described by Fe2Pb(SeO3)4 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom. Pb(1) is bonded in a 6-coordinate geometry to one O(12), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(5), and one O(9) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(2), and one O(6) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(3), and one O(7) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(4), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one Se(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(1) and one Se(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1), one Pb(1), and one Se(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Pb(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Pb(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(1), one Pb(1), and one Se(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Pb(1), and one Se(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(1) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(2) and one Se(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(2), one Pb(1), and one Se(4) atom. is represented by the CIF file [CIF]
data_Fe2Pb(SeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.983
_cell_length_c   7.756
_cell_angle_alpha   93.459
_cell_angle_beta   90.416
_cell_angle_gamma   95.051
_symmetry_Int_Tables_number   1
_cell_volume   285.463
_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  0.002  0.000  0.502  1.0
  Fe  Fe1  1  0.498  0.500  0.998  1.0
  O  O2  1  0.990  0.716  0.434  1.0
  O  O3  1  0.011  0.284  0.566  1.0
  O  O4  1  0.295  0.988  0.663  1.0
  O  O5  1  0.709  0.012  0.332  1.0
  O  O6  1  0.844  0.655  0.092  1.0
  O  O7  1  0.156  0.348  0.908  1.0
  O  O8  1  0.778  0.929  0.706  1.0
  O  O9  1  0.221  0.071  0.292  1.0
  O  O10  1  0.322  0.592  0.210  1.0
  O  O11  1  0.680  0.402  0.792  1.0
  O  O12  1  0.425  0.750  0.891  1.0
  O  O13  1  0.585  0.251  0.110  1.0
  Pb  Pb14  1  0.949  0.007  0.014  1.0
  Se  Se15  1  0.005  0.554  0.260  1.0
  Se  Se16  1  0.995  0.446  0.740  1.0
  Se  Se17  1  0.480  0.800  0.677  1.0
  Se  Se18  1  0.517  0.199  0.323  1.0
[/CIF]
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