The structure described by Ti4AlGe7 is Zirconium Disilicide-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Ge(2), two equivalent Ge(4), and four equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(3), two equivalent Ge(5), and four equivalent Ge(2) atoms. Al(1) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) and four equivalent Ge(4) atoms. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), and two equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent Ge(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to four equivalent Ti(2) and four equivalent Ge(5) atoms. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Al(1) atoms. In the fifth Ge site, Ge(5) is bonded in a 8-coordinate geometry to four equivalent Ti(2) and four equivalent Ge(3) atoms. is represented by the CIF card [CIF]
data_Ti4AlGe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.414
_cell_length_b   14.414
_cell_length_c   14.414
_cell_angle_alpha   165.254
_cell_angle_beta   165.254
_cell_angle_gamma   20.912
_symmetry_Int_Tables_number   1
_cell_volume   193.986
_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
  Ti  Ti0  1  0.825  0.825  0.000  1.0
  Ti  Ti1  1  0.073  0.573  0.500  1.0
  Ti  Ti2  1  0.427  0.927  0.500  1.0
  Ti  Ti3  1  0.175  0.175  0.000  1.0
  Al  Al4  1  0.250  0.750  0.500  1.0
  Ge  Ge5  1  0.659  0.659  0.000  1.0
  Ge  Ge6  1  0.906  0.406  0.500  1.0
  Ge  Ge7  1  0.594  0.094  0.500  1.0
  Ge  Ge8  1  0.341  0.341  0.000  1.0
  Ge  Ge9  1  0.500  0.500  0.000  1.0
  Ge  Ge10  1  0.750  0.250  0.500  1.0
  Ge  Ge11  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Ti4AlGe7 is Zirconium Disilicide-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 10-coordinate geometry to two equivalent Al(1), two equivalent Ge(2), two equivalent Ge(4), and four equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(3), two equivalent Ge(5), and four equivalent Ge(2) atoms. Al(1) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) and four equivalent Ge(4) atoms. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to two equivalent Ti(2), four equivalent Ti(1), and two equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), and two equivalent Ge(1) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to four equivalent Ti(2) and four equivalent Ge(5) atoms. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Al(1) atoms. In the fifth Ge site, Ge(5) is bonded in a 8-coordinate geometry to four equivalent Ti(2) and four equivalent Ge(3) atoms. is represented by the CIF card [CIF]
data_Ti4AlGe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.414
_cell_length_b   14.414
_cell_length_c   14.414
_cell_angle_alpha   165.254
_cell_angle_beta   165.254
_cell_angle_gamma   20.912
_symmetry_Int_Tables_number   1
_cell_volume   193.986
_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
  Ti  Ti0  1  0.825  0.825  0.000  1.0
  Ti  Ti1  1  0.073  0.573  0.500  1.0
  Ti  Ti2  1  0.427  0.927  0.500  1.0
  Ti  Ti3  1  0.175  0.175  0.000  1.0
  Al  Al4  1  0.250  0.750  0.500  1.0
  Ge  Ge5  1  0.659  0.659  0.000  1.0
  Ge  Ge6  1  0.906  0.406  0.500  1.0
  Ge  Ge7  1  0.594  0.094  0.500  1.0
  Ge  Ge8  1  0.341  0.341  0.000  1.0
  Ge  Ge9  1  0.500  0.500  0.000  1.0
  Ge  Ge10  1  0.750  0.250  0.500  1.0
  Ge  Ge11  1  0.000  0.000  0.000  1.0
[/CIF]
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