The material structure described by KFeSn3O8 crystallizes in the monoclinic Cm space group. K(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Sn site, Sn(2) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with two equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Sn site, Sn(3) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with two equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one Fe(1), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Sn(2), and two equivalent Sn(3) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Sn(3), and two equivalent Sn(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Sn(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Sn(1) and two equivalent Sn(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sn(2) and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sn(3) atom. is represented by the CIF file [CIF]
data_KFeSn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.596
_cell_length_b   7.596
_cell_length_c   10.565
_cell_angle_alpha   46.662
_cell_angle_beta   46.662
_cell_angle_gamma   24.392
_symmetry_Int_Tables_number   1
_cell_volume   179.237
_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
  K  K0  1  0.499  0.499  0.998  1.0
  Fe  Fe1  1  0.349  0.349  0.815  1.0
  Sn  Sn2  1  0.658  0.658  0.170  1.0
  Sn  Sn3  1  0.160  0.160  0.492  1.0
  Sn  Sn4  1  0.836  0.836  0.520  1.0
  O  O5  1  0.152  0.152  0.047  1.0
  O  O6  1  0.849  0.849  0.946  1.0
  O  O7  1  0.201  0.201  0.649  1.0
  O  O8  1  0.796  0.796  0.360  1.0
  O  O9  1  0.539  0.539  0.627  1.0
  O  O10  1  0.460  0.460  0.373  1.0
  O  O11  1  0.165  0.165  0.292  1.0
  O  O12  1  0.835  0.835  0.711  1.0
[/CIF]
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The material structure described by KFeSn3O8 crystallizes in the monoclinic Cm space group. K(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Fe(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Sn site, Sn(2) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with two equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third Sn site, Sn(3) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with two equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one Fe(1), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent Fe(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Sn(2), and two equivalent Sn(3) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Sn(3), and two equivalent Sn(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Sn(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Sn(1) and two equivalent Sn(3) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sn(2) and two equivalent Sn(1) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sn(3) atom. is represented by the CIF file [CIF]
data_KFeSn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.596
_cell_length_b   7.596
_cell_length_c   10.565
_cell_angle_alpha   46.662
_cell_angle_beta   46.662
_cell_angle_gamma   24.392
_symmetry_Int_Tables_number   1
_cell_volume   179.237
_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
  K  K0  1  0.499  0.499  0.998  1.0
  Fe  Fe1  1  0.349  0.349  0.815  1.0
  Sn  Sn2  1  0.658  0.658  0.170  1.0
  Sn  Sn3  1  0.160  0.160  0.492  1.0
  Sn  Sn4  1  0.836  0.836  0.520  1.0
  O  O5  1  0.152  0.152  0.047  1.0
  O  O6  1  0.849  0.849  0.946  1.0
  O  O7  1  0.201  0.201  0.649  1.0
  O  O8  1  0.796  0.796  0.360  1.0
  O  O9  1  0.539  0.539  0.627  1.0
  O  O10  1  0.460  0.460  0.373  1.0
  O  O11  1  0.165  0.165  0.292  1.0
  O  O12  1  0.835  0.835  0.711  1.0
[/CIF]
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