The material described by KGdHf4O12 crystallizes in the orthorhombic Amm2 space group. The structure consists of two 7440-09-7 atoms inside a GdHf4O12 framework. In the GdHf4O12 framework, Gd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Hf(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Gd(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Gd(1) and two equivalent Hf(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Gd(1) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_KGdHf4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.842
_cell_length_b   7.842
_cell_length_c   11.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   80.237
_symmetry_Int_Tables_number   1
_cell_volume   702.965
_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  0.020  0.980  0.500  1.0
  Gd  Gd1  1  0.455  0.545  0.000  1.0
  Hf  Hf2  1  0.525  0.029  0.256  1.0
  Hf  Hf3  1  0.525  0.029  0.744  1.0
  Hf  Hf4  1  0.971  0.475  0.744  1.0
  Hf  Hf5  1  0.971  0.475  0.256  1.0
  O  O6  1  0.239  0.237  0.241  1.0
  O  O7  1  0.763  0.761  0.241  1.0
  O  O8  1  0.763  0.761  0.759  1.0
  O  O9  1  0.239  0.237  0.759  1.0
  O  O10  1  0.276  0.724  0.241  1.0
  O  O11  1  0.696  0.304  0.182  1.0
  O  O12  1  0.696  0.304  0.818  1.0
  O  O13  1  0.276  0.724  0.759  1.0
  O  O14  1  0.500  0.906  0.000  1.0
  O  O15  1  0.527  0.018  0.500  1.0
  O  O16  1  0.094  0.500  0.000  1.0
  O  O17  1  0.982  0.473  0.500  1.0
[/CIF]
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The material described by KGdHf4O12 crystallizes in the orthorhombic Amm2 space group. The structure consists of two 7440-09-7 atoms inside a GdHf4O12 framework. In the GdHf4O12 framework, Gd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Hf(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Hf(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Gd(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Gd(1) and two equivalent Hf(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Gd(1) and two equivalent Hf(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_KGdHf4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.842
_cell_length_b   7.842
_cell_length_c   11.598
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   80.237
_symmetry_Int_Tables_number   1
_cell_volume   702.965
_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  0.020  0.980  0.500  1.0
  Gd  Gd1  1  0.455  0.545  0.000  1.0
  Hf  Hf2  1  0.525  0.029  0.256  1.0
  Hf  Hf3  1  0.525  0.029  0.744  1.0
  Hf  Hf4  1  0.971  0.475  0.744  1.0
  Hf  Hf5  1  0.971  0.475  0.256  1.0
  O  O6  1  0.239  0.237  0.241  1.0
  O  O7  1  0.763  0.761  0.241  1.0
  O  O8  1  0.763  0.761  0.759  1.0
  O  O9  1  0.239  0.237  0.759  1.0
  O  O10  1  0.276  0.724  0.241  1.0
  O  O11  1  0.696  0.304  0.182  1.0
  O  O12  1  0.696  0.304  0.818  1.0
  O  O13  1  0.276  0.724  0.759  1.0
  O  O14  1  0.500  0.906  0.000  1.0
  O  O15  1  0.527  0.018  0.500  1.0
  O  O16  1  0.094  0.500  0.000  1.0
  O  O17  1  0.982  0.473  0.500  1.0
[/CIF]
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