The material structure described by Tb2Ti3Ge4 crystallizes in the orthorhombic Pnma space group. Tb(1) is bonded in a 7-coordinate geometry to one Ge(3), two equivalent Ge(2), and four equivalent Ge(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing TiGe6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Ti(2), four equivalent Ti(1), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 8-coordinate geometry to four equivalent Tb(1), one Ti(2), and three equivalent Ti(1) atoms. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Tb(1), two equivalent Ti(1), two equivalent Ti(2), and one Ge(3) atom. is represented by the CIF file [CIF]
data_Tb2Ti3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   7.181
_cell_length_c   13.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.466
_cell_formula_units_Z   4
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
  Tb  Tb0  1  0.004  0.174  0.403  1.0
  Tb  Tb1  1  0.504  0.326  0.097  1.0
  Tb  Tb2  1  0.496  0.674  0.597  1.0
  Tb  Tb3  1  0.996  0.826  0.903  1.0
  Tb  Tb4  1  0.996  0.826  0.597  1.0
  Tb  Tb5  1  0.496  0.674  0.903  1.0
  Tb  Tb6  1  0.504  0.326  0.403  1.0
  Tb  Tb7  1  0.004  0.174  0.097  1.0
  Ti  Ti8  1  0.342  0.830  0.127  1.0
  Ti  Ti9  1  0.842  0.670  0.373  1.0
  Ti  Ti10  1  0.658  0.170  0.627  1.0
  Ti  Ti11  1  0.158  0.330  0.873  1.0
  Ti  Ti12  1  0.158  0.330  0.627  1.0
  Ti  Ti13  1  0.658  0.170  0.873  1.0
  Ti  Ti14  1  0.330  0.011  0.750  1.0
  Ti  Ti15  1  0.842  0.670  0.127  1.0
  Ti  Ti16  1  0.670  0.989  0.250  1.0
  Ti  Ti17  1  0.170  0.511  0.250  1.0
  Ti  Ti18  1  0.830  0.489  0.750  1.0
  Ti  Ti19  1  0.342  0.830  0.373  1.0
  Ge  Ge20  1  0.325  0.044  0.542  1.0
  Ge  Ge21  1  0.825  0.456  0.958  1.0
  Ge  Ge22  1  0.675  0.956  0.042  1.0
  Ge  Ge23  1  0.175  0.544  0.458  1.0
  Ge  Ge24  1  0.175  0.544  0.042  1.0
  Ge  Ge25  1  0.675  0.956  0.458  1.0
  Ge  Ge26  1  0.825  0.456  0.542  1.0
  Ge  Ge27  1  0.325  0.044  0.958  1.0
  Ge  Ge28  1  0.810  0.371  0.250  1.0
  Ge  Ge29  1  0.310  0.129  0.250  1.0
  Ge  Ge30  1  0.690  0.871  0.750  1.0
  Ge  Ge31  1  0.190  0.629  0.750  1.0
  Ge  Ge32  1  0.040  0.868  0.250  1.0
  Ge  Ge33  1  0.540  0.632  0.250  1.0
  Ge  Ge34  1  0.460  0.368  0.750  1.0
  Ge  Ge35  1  0.960  0.132  0.750  1.0
[/CIF]
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The material structure described by Tb2Ti3Ge4 crystallizes in the orthorhombic Pnma space group. Tb(1) is bonded in a 7-coordinate geometry to one Ge(3), two equivalent Ge(2), and four equivalent Ge(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing TiGe6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Ti(2), four equivalent Ti(1), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 8-coordinate geometry to four equivalent Tb(1), one Ti(2), and three equivalent Ti(1) atoms. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Tb(1), two equivalent Ti(1), two equivalent Ti(2), and one Ge(3) atom. is represented by the CIF file [CIF]
data_Tb2Ti3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   7.181
_cell_length_c   13.484
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.466
_cell_formula_units_Z   4
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
  Tb  Tb0  1  0.004  0.174  0.403  1.0
  Tb  Tb1  1  0.504  0.326  0.097  1.0
  Tb  Tb2  1  0.496  0.674  0.597  1.0
  Tb  Tb3  1  0.996  0.826  0.903  1.0
  Tb  Tb4  1  0.996  0.826  0.597  1.0
  Tb  Tb5  1  0.496  0.674  0.903  1.0
  Tb  Tb6  1  0.504  0.326  0.403  1.0
  Tb  Tb7  1  0.004  0.174  0.097  1.0
  Ti  Ti8  1  0.342  0.830  0.127  1.0
  Ti  Ti9  1  0.842  0.670  0.373  1.0
  Ti  Ti10  1  0.658  0.170  0.627  1.0
  Ti  Ti11  1  0.158  0.330  0.873  1.0
  Ti  Ti12  1  0.158  0.330  0.627  1.0
  Ti  Ti13  1  0.658  0.170  0.873  1.0
  Ti  Ti14  1  0.330  0.011  0.750  1.0
  Ti  Ti15  1  0.842  0.670  0.127  1.0
  Ti  Ti16  1  0.670  0.989  0.250  1.0
  Ti  Ti17  1  0.170  0.511  0.250  1.0
  Ti  Ti18  1  0.830  0.489  0.750  1.0
  Ti  Ti19  1  0.342  0.830  0.373  1.0
  Ge  Ge20  1  0.325  0.044  0.542  1.0
  Ge  Ge21  1  0.825  0.456  0.958  1.0
  Ge  Ge22  1  0.675  0.956  0.042  1.0
  Ge  Ge23  1  0.175  0.544  0.458  1.0
  Ge  Ge24  1  0.175  0.544  0.042  1.0
  Ge  Ge25  1  0.675  0.956  0.458  1.0
  Ge  Ge26  1  0.825  0.456  0.542  1.0
  Ge  Ge27  1  0.325  0.044  0.958  1.0
  Ge  Ge28  1  0.810  0.371  0.250  1.0
  Ge  Ge29  1  0.310  0.129  0.250  1.0
  Ge  Ge30  1  0.690  0.871  0.750  1.0
  Ge  Ge31  1  0.190  0.629  0.750  1.0
  Ge  Ge32  1  0.040  0.868  0.250  1.0
  Ge  Ge33  1  0.540  0.632  0.250  1.0
  Ge  Ge34  1  0.460  0.368  0.750  1.0
  Ge  Ge35  1  0.960  0.132  0.750  1.0
[/CIF]
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