The material structure described by Gd3AuO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Gd site, Gd(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Au(1) atom. In the second O site, O(2) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with four equivalent O(3)Gd3Au tetrahedra, corners with four equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(3)Gd3Au tetrahedra, and edges with two equivalent O(2)Gd4 tetrahedra. In the third O site, O(3) is bonded to one Gd(2), two equivalent Gd(1), and one Au(1) atom to form OGd3Au tetrahedra that share corners with four equivalent O(3)Gd3Au tetrahedra, corners with four equivalent O(2)Gd4 tetrahedra, and edges with two equivalent O(2)Gd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3AuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.665
_cell_length_b   5.593
_cell_length_c   7.073
_cell_angle_alpha   90.404
_cell_angle_beta   102.835
_cell_angle_gamma   91.177
_symmetry_Int_Tables_number   1
_cell_volume   141.293
_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
  Gd  Gd0  1  0.610  0.529  0.766  1.0
  Gd  Gd1  1  0.390  0.471  0.234  1.0
  Gd  Gd2  1  0.000  0.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.841  0.693  0.111  1.0
  O  O5  1  0.159  0.307  0.889  1.0
  O  O6  1  0.520  0.256  0.525  1.0
  O  O7  1  0.480  0.744  0.475  1.0
  O  O8  1  0.128  0.796  0.791  1.0
  O  O9  1  0.872  0.204  0.209  1.0
[/CIF]
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The material structure described by Gd3AuO6 crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to two equivalent O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Gd site, Gd(2) is bonded in a 6-coordinate geometry to two equivalent O(3) and four equivalent O(2) atoms. Au(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one Au(1) atom. In the second O site, O(2) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with four equivalent O(3)Gd3Au tetrahedra, corners with four equivalent O(2)Gd4 tetrahedra, edges with two equivalent O(3)Gd3Au tetrahedra, and edges with two equivalent O(2)Gd4 tetrahedra. In the third O site, O(3) is bonded to one Gd(2), two equivalent Gd(1), and one Au(1) atom to form OGd3Au tetrahedra that share corners with four equivalent O(3)Gd3Au tetrahedra, corners with four equivalent O(2)Gd4 tetrahedra, and edges with two equivalent O(2)Gd4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd3AuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.665
_cell_length_b   5.593
_cell_length_c   7.073
_cell_angle_alpha   90.404
_cell_angle_beta   102.835
_cell_angle_gamma   91.177
_symmetry_Int_Tables_number   1
_cell_volume   141.293
_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
  Gd  Gd0  1  0.610  0.529  0.766  1.0
  Gd  Gd1  1  0.390  0.471  0.234  1.0
  Gd  Gd2  1  0.000  0.000  0.500  1.0
  Au  Au3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.841  0.693  0.111  1.0
  O  O5  1  0.159  0.307  0.889  1.0
  O  O6  1  0.520  0.256  0.525  1.0
  O  O7  1  0.480  0.744  0.475  1.0
  O  O8  1  0.128  0.796  0.791  1.0
  O  O9  1  0.872  0.204  0.209  1.0
[/CIF]
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