The compound described by Ti3AuH3 crystallizes in the cubic Pm-3n space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) and four equivalent H(1) atoms. Au(1) is bonded to twelve equivalent Ti(1) atoms to form AuTi12 cuboctahedra that share corners with twelve equivalent H(1)Ti4 tetrahedra, edges with six equivalent Au(1)Ti12 cuboctahedra, faces with eight equivalent Au(1)Ti12 cuboctahedra, and faces with twelve equivalent H(1)Ti4 tetrahedra. H(1) is bonded to four equivalent Ti(1) atoms to form distorted HTi4 tetrahedra that share corners with four equivalent Au(1)Ti12 cuboctahedra, corners with eight equivalent H(1)Ti4 tetrahedra, edges with two equivalent H(1)Ti4 tetrahedra, and faces with four equivalent Au(1)Ti12 cuboctahedra. is represented by the CIF card [CIF]
data_Ti3H3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.274
_cell_length_c   5.274
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.707
_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
  Ti  Ti0  1  0.000  0.500  0.750  1.0
  Ti  Ti1  1  0.500  0.250  0.000  1.0
  Ti  Ti2  1  0.750  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.250  1.0
  Ti  Ti4  1  0.500  0.750  0.000  1.0
  Ti  Ti5  1  0.250  0.000  0.500  1.0
  H  H6  1  0.500  0.000  0.750  1.0
  H  H7  1  0.000  0.250  0.500  1.0
  H  H8  1  0.750  0.500  0.000  1.0
  H  H9  1  0.500  0.000  0.250  1.0
  H  H10  1  0.000  0.750  0.500  1.0
  H  H11  1  0.250  0.500  0.000  1.0
  Au  Au12  1  0.500  0.500  0.500  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ti3AuH3 crystallizes in the cubic Pm-3n space group. Ti(1) is bonded in a 4-coordinate geometry to four equivalent Au(1) and four equivalent H(1) atoms. Au(1) is bonded to twelve equivalent Ti(1) atoms to form AuTi12 cuboctahedra that share corners with twelve equivalent H(1)Ti4 tetrahedra, edges with six equivalent Au(1)Ti12 cuboctahedra, faces with eight equivalent Au(1)Ti12 cuboctahedra, and faces with twelve equivalent H(1)Ti4 tetrahedra. H(1) is bonded to four equivalent Ti(1) atoms to form distorted HTi4 tetrahedra that share corners with four equivalent Au(1)Ti12 cuboctahedra, corners with eight equivalent H(1)Ti4 tetrahedra, edges with two equivalent H(1)Ti4 tetrahedra, and faces with four equivalent Au(1)Ti12 cuboctahedra. is represented by the CIF card [CIF]
data_Ti3H3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.274
_cell_length_b   5.274
_cell_length_c   5.274
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.707
_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
  Ti  Ti0  1  0.000  0.500  0.750  1.0
  Ti  Ti1  1  0.500  0.250  0.000  1.0
  Ti  Ti2  1  0.750  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.250  1.0
  Ti  Ti4  1  0.500  0.750  0.000  1.0
  Ti  Ti5  1  0.250  0.000  0.500  1.0
  H  H6  1  0.500  0.000  0.750  1.0
  H  H7  1  0.000  0.250  0.500  1.0
  H  H8  1  0.750  0.500  0.000  1.0
  H  H9  1  0.500  0.000  0.250  1.0
  H  H10  1  0.000  0.750  0.500  1.0
  H  H11  1  0.250  0.500  0.000  1.0
  Au  Au12  1  0.500  0.500  0.500  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
[/CIF]
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