The material described by Ti2H is Cuprite structured and crystallizes in the cubic Pn-3m space group. Ti(1) is bonded in a linear geometry to two equivalent H(1) atoms. H(1) is bonded to four equivalent Ti(1) atoms to form corner-sharing HTi4 tetrahedra. is represented by the CIF card [CIF]
data_Ti2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.229
_cell_length_b   4.229
_cell_length_c   4.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.644
_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  0.250  0.750  0.250  1.0
  Ti  Ti1  1  0.750  0.250  0.250  1.0
  Ti  Ti2  1  0.250  0.250  0.750  1.0
  Ti  Ti3  1  0.750  0.750  0.750  1.0
  H  H4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by Ti2H is Cuprite structured and crystallizes in the cubic Pn-3m space group. Ti(1) is bonded in a linear geometry to two equivalent H(1) atoms. H(1) is bonded to four equivalent Ti(1) atoms to form corner-sharing HTi4 tetrahedra. is represented by the CIF card [CIF]
data_Ti2H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.229
_cell_length_b   4.229
_cell_length_c   4.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   75.644
_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  0.250  0.750  0.250  1.0
  Ti  Ti1  1  0.750  0.250  0.250  1.0
  Ti  Ti2  1  0.250  0.250  0.750  1.0
  Ti  Ti3  1  0.750  0.750  0.750  1.0
  H  H4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.500  0.500  0.500  1.0
[/CIF]
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