The material structure described by KAgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1) and six equivalent F(2) atoms. Ag(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded to three equivalent K(1) and two equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing FK3Ag2 square pyramids. is represented by the CIF file [CIF]
data_KAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   6.183
_cell_length_c   8.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.282
_cell_formula_units_Z   4
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  0.010  0.543  0.250  1.0
  K  K1  1  0.490  0.043  0.250  1.0
  K  K2  1  0.990  0.457  0.750  1.0
  K  K3  1  0.510  0.957  0.750  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  Ag  Ag5  1  0.000  0.000  0.500  1.0
  Ag  Ag6  1  0.500  0.500  0.500  1.0
  Ag  Ag7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.944  0.989  0.250  1.0
  F  F9  1  0.556  0.489  0.250  1.0
  F  F10  1  0.056  0.011  0.750  1.0
  F  F11  1  0.444  0.511  0.750  1.0
  F  F12  1  0.279  0.796  0.469  1.0
  F  F13  1  0.221  0.296  0.031  1.0
  F  F14  1  0.721  0.204  0.969  1.0
  F  F15  1  0.779  0.704  0.531  1.0
  F  F16  1  0.721  0.204  0.531  1.0
  F  F17  1  0.779  0.704  0.969  1.0
  F  F18  1  0.279  0.796  0.031  1.0
  F  F19  1  0.221  0.296  0.469  1.0
[/CIF]
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The material structure described by KAgF3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1) and six equivalent F(2) atoms. Ag(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles range from 18-22°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Ag(1) atoms. In the second F site, F(2) is bonded to three equivalent K(1) and two equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing FK3Ag2 square pyramids. is represented by the CIF file [CIF]
data_KAgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   6.183
_cell_length_c   8.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   315.282
_cell_formula_units_Z   4
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  0.010  0.543  0.250  1.0
  K  K1  1  0.490  0.043  0.250  1.0
  K  K2  1  0.990  0.457  0.750  1.0
  K  K3  1  0.510  0.957  0.750  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  Ag  Ag5  1  0.000  0.000  0.500  1.0
  Ag  Ag6  1  0.500  0.500  0.500  1.0
  Ag  Ag7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.944  0.989  0.250  1.0
  F  F9  1  0.556  0.489  0.250  1.0
  F  F10  1  0.056  0.011  0.750  1.0
  F  F11  1  0.444  0.511  0.750  1.0
  F  F12  1  0.279  0.796  0.469  1.0
  F  F13  1  0.221  0.296  0.031  1.0
  F  F14  1  0.721  0.204  0.969  1.0
  F  F15  1  0.779  0.704  0.531  1.0
  F  F16  1  0.721  0.204  0.531  1.0
  F  F17  1  0.779  0.704  0.969  1.0
  F  F18  1  0.279  0.796  0.031  1.0
  F  F19  1  0.221  0.296  0.469  1.0
[/CIF]
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