The compound described by K2Zr2O5 crystallizes in the orthorhombic Pnna space group. K(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Zr(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form a mixture of edge, face, and corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 14-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a tetrahedral geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and three equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_K2Zr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   8.716
_cell_length_c   10.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.774
_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  0.065  0.424  0.167  1.0
  K  K1  1  0.065  0.076  0.333  1.0
  K  K2  1  0.435  0.424  0.833  1.0
  K  K3  1  0.435  0.076  0.667  1.0
  K  K4  1  0.935  0.576  0.833  1.0
  K  K5  1  0.935  0.924  0.667  1.0
  K  K6  1  0.565  0.576  0.167  1.0
  K  K7  1  0.565  0.924  0.333  1.0
  Zr  Zr8  1  0.532  0.340  0.423  1.0
  Zr  Zr9  1  0.532  0.160  0.077  1.0
  Zr  Zr10  1  0.968  0.340  0.577  1.0
  Zr  Zr11  1  0.968  0.160  0.923  1.0
  Zr  Zr12  1  0.468  0.660  0.577  1.0
  Zr  Zr13  1  0.468  0.840  0.923  1.0
  Zr  Zr14  1  0.032  0.660  0.423  1.0
  Zr  Zr15  1  0.032  0.840  0.077  1.0
  O  O16  1  0.490  0.250  0.250  1.0
  O  O17  1  0.010  0.250  0.750  1.0
  O  O18  1  0.510  0.750  0.750  1.0
  O  O19  1  0.990  0.750  0.250  1.0
  O  O20  1  0.250  0.825  0.500  1.0
  O  O21  1  0.250  0.675  0.000  1.0
  O  O22  1  0.750  0.175  0.500  1.0
  O  O23  1  0.750  0.325  0.000  1.0
  O  O24  1  0.250  0.244  0.500  1.0
  O  O25  1  0.250  0.256  0.000  1.0
  O  O26  1  0.750  0.756  0.500  1.0
  O  O27  1  0.750  0.744  0.000  1.0
  O  O28  1  0.373  0.949  0.106  1.0
  O  O29  1  0.373  0.551  0.394  1.0
  O  O30  1  0.127  0.949  0.894  1.0
  O  O31  1  0.127  0.551  0.606  1.0
  O  O32  1  0.873  0.449  0.394  1.0
  O  O33  1  0.873  0.051  0.106  1.0
  O  O34  1  0.627  0.449  0.606  1.0
  O  O35  1  0.627  0.051  0.894  1.0
[/CIF]
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The compound described by K2Zr2O5 crystallizes in the orthorhombic Pnna space group. K(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Zr(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(4) atoms to form a mixture of edge, face, and corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 14-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent K(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a tetrahedral geometry to two equivalent K(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1) and three equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_K2Zr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.853
_cell_length_b   8.716
_cell_length_c   10.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   551.774
_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  0.065  0.424  0.167  1.0
  K  K1  1  0.065  0.076  0.333  1.0
  K  K2  1  0.435  0.424  0.833  1.0
  K  K3  1  0.435  0.076  0.667  1.0
  K  K4  1  0.935  0.576  0.833  1.0
  K  K5  1  0.935  0.924  0.667  1.0
  K  K6  1  0.565  0.576  0.167  1.0
  K  K7  1  0.565  0.924  0.333  1.0
  Zr  Zr8  1  0.532  0.340  0.423  1.0
  Zr  Zr9  1  0.532  0.160  0.077  1.0
  Zr  Zr10  1  0.968  0.340  0.577  1.0
  Zr  Zr11  1  0.968  0.160  0.923  1.0
  Zr  Zr12  1  0.468  0.660  0.577  1.0
  Zr  Zr13  1  0.468  0.840  0.923  1.0
  Zr  Zr14  1  0.032  0.660  0.423  1.0
  Zr  Zr15  1  0.032  0.840  0.077  1.0
  O  O16  1  0.490  0.250  0.250  1.0
  O  O17  1  0.010  0.250  0.750  1.0
  O  O18  1  0.510  0.750  0.750  1.0
  O  O19  1  0.990  0.750  0.250  1.0
  O  O20  1  0.250  0.825  0.500  1.0
  O  O21  1  0.250  0.675  0.000  1.0
  O  O22  1  0.750  0.175  0.500  1.0
  O  O23  1  0.750  0.325  0.000  1.0
  O  O24  1  0.250  0.244  0.500  1.0
  O  O25  1  0.250  0.256  0.000  1.0
  O  O26  1  0.750  0.756  0.500  1.0
  O  O27  1  0.750  0.744  0.000  1.0
  O  O28  1  0.373  0.949  0.106  1.0
  O  O29  1  0.373  0.551  0.394  1.0
  O  O30  1  0.127  0.949  0.894  1.0
  O  O31  1  0.127  0.551  0.606  1.0
  O  O32  1  0.873  0.449  0.394  1.0
  O  O33  1  0.873  0.051  0.106  1.0
  O  O34  1  0.627  0.449  0.606  1.0
  O  O35  1  0.627  0.051  0.894  1.0
[/CIF]
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