The compound described by KSrBi2O5 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Bi(1)O5 square pyramids. Bi(1) is bonded to one O(2) and four equivalent O(1) atoms to form BiO5 square pyramids that share corners with five equivalent Bi(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent Sr(1), and two equivalent Bi(1) atoms to form a mixture of corner, face, and edge-sharing OK2Sr2Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_KSrBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.428
_cell_length_b   4.428
_cell_length_c   7.874
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.411
_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  0.500  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.500  0.750  1.0
  Bi  Bi2  1  0.000  0.000  0.016  1.0
  Bi  Bi3  1  0.000  0.000  0.484  1.0
  O  O4  1  0.000  0.500  0.994  1.0
  O  O5  1  0.000  0.500  0.506  1.0
  O  O6  1  0.500  0.000  0.506  1.0
  O  O7  1  0.500  0.000  0.994  1.0
  O  O8  1  0.000  0.000  0.750  1.0
[/CIF]
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The compound described by KSrBi2O5 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Bi(1)O5 square pyramids. Bi(1) is bonded to one O(2) and four equivalent O(1) atoms to form BiO5 square pyramids that share corners with five equivalent Bi(1)O5 square pyramids and faces with four equivalent Sr(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent Sr(1), and two equivalent Bi(1) atoms to form a mixture of corner, face, and edge-sharing OK2Sr2Bi2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_KSrBi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.428
_cell_length_b   4.428
_cell_length_c   7.874
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.411
_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  0.500  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.500  0.750  1.0
  Bi  Bi2  1  0.000  0.000  0.016  1.0
  Bi  Bi3  1  0.000  0.000  0.484  1.0
  O  O4  1  0.000  0.500  0.994  1.0
  O  O5  1  0.000  0.500  0.506  1.0
  O  O6  1  0.500  0.000  0.506  1.0
  O  O7  1  0.500  0.000  0.994  1.0
  O  O8  1  0.000  0.000  0.750  1.0
[/CIF]
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