The material structure described by KGd(WO4)2 is Esseneite-like structured and crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), one Gd(1), and two equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing OKGdW2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Gd(1), and one W(1) atom. In the third O site, O(3) is bonded to one K(1), one Gd(1), and two equivalent W(1) atoms to form a mixture of corner and edge-sharing OKGdW2 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Gd(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KGd(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.689
_cell_length_b   6.689
_cell_length_c   7.600
_cell_angle_alpha   89.872
_cell_angle_beta   89.872
_cell_angle_gamma   100.705
_symmetry_Int_Tables_number   1
_cell_volume   334.168
_cell_formula_units_Z   2
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  0.682  0.318  0.750  1.0
  K  K1  1  0.318  0.682  0.250  1.0
  Gd  Gd2  1  0.746  0.254  0.250  1.0
  Gd  Gd3  1  0.254  0.746  0.750  1.0
  W  W4  1  0.807  0.809  0.998  1.0
  W  W5  1  0.809  0.807  0.498  1.0
  W  W6  1  0.193  0.191  0.002  1.0
  W  W7  1  0.191  0.193  0.502  1.0
  O  O8  1  0.756  0.885  0.249  1.0
  O  O9  1  0.456  0.208  0.434  1.0
  O  O10  1  0.882  0.122  0.978  1.0
  O  O11  1  0.885  0.756  0.749  1.0
  O  O12  1  0.544  0.792  0.566  1.0
  O  O13  1  0.118  0.878  0.022  1.0
  O  O14  1  0.878  0.118  0.522  1.0
  O  O15  1  0.115  0.244  0.251  1.0
  O  O16  1  0.546  0.808  0.927  1.0
  O  O17  1  0.208  0.456  0.934  1.0
  O  O18  1  0.192  0.454  0.573  1.0
  O  O19  1  0.454  0.192  0.073  1.0
  O  O20  1  0.244  0.115  0.751  1.0
  O  O21  1  0.792  0.544  0.066  1.0
  O  O22  1  0.122  0.882  0.478  1.0
  O  O23  1  0.808  0.546  0.427  1.0
[/CIF]
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The material structure described by KGd(WO4)2 is Esseneite-like structured and crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. W(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one K(1), one Gd(1), and two equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing OKGdW2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Gd(1), and one W(1) atom. In the third O site, O(3) is bonded to one K(1), one Gd(1), and two equivalent W(1) atoms to form a mixture of corner and edge-sharing OKGdW2 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(1), one Gd(1), and one W(1) atom. is represented by the CIF card [CIF]
data_KGd(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.689
_cell_length_b   6.689
_cell_length_c   7.600
_cell_angle_alpha   89.872
_cell_angle_beta   89.872
_cell_angle_gamma   100.705
_symmetry_Int_Tables_number   1
_cell_volume   334.168
_cell_formula_units_Z   2
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  0.682  0.318  0.750  1.0
  K  K1  1  0.318  0.682  0.250  1.0
  Gd  Gd2  1  0.746  0.254  0.250  1.0
  Gd  Gd3  1  0.254  0.746  0.750  1.0
  W  W4  1  0.807  0.809  0.998  1.0
  W  W5  1  0.809  0.807  0.498  1.0
  W  W6  1  0.193  0.191  0.002  1.0
  W  W7  1  0.191  0.193  0.502  1.0
  O  O8  1  0.756  0.885  0.249  1.0
  O  O9  1  0.456  0.208  0.434  1.0
  O  O10  1  0.882  0.122  0.978  1.0
  O  O11  1  0.885  0.756  0.749  1.0
  O  O12  1  0.544  0.792  0.566  1.0
  O  O13  1  0.118  0.878  0.022  1.0
  O  O14  1  0.878  0.118  0.522  1.0
  O  O15  1  0.115  0.244  0.251  1.0
  O  O16  1  0.546  0.808  0.927  1.0
  O  O17  1  0.208  0.456  0.934  1.0
  O  O18  1  0.192  0.454  0.573  1.0
  O  O19  1  0.454  0.192  0.073  1.0
  O  O20  1  0.244  0.115  0.751  1.0
  O  O21  1  0.792  0.544  0.066  1.0
  O  O22  1  0.122  0.882  0.478  1.0
  O  O23  1  0.808  0.546  0.427  1.0
[/CIF]
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