The material described by Nb5Ge4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Ge(3), two equivalent Ge(2), and four equivalent Ge(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the third Nb site, Nb(3) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(3), four equivalent Nb(2), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Nb(3), three equivalent Nb(2), and four equivalent Nb(1) atoms. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Nb(2), two equivalent Nb(3), four equivalent Nb(1), and one Ge(3) atom. is represented by the CIF file [CIF]
data_Nb5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.778
_cell_length_b   6.845
_cell_length_c   13.245
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   614.464
_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
  Nb  Nb0  1  0.020  0.325  0.914  1.0
  Nb  Nb1  1  0.520  0.175  0.586  1.0
  Nb  Nb2  1  0.480  0.825  0.086  1.0
  Nb  Nb3  1  0.980  0.675  0.414  1.0
  Nb  Nb4  1  0.020  0.325  0.586  1.0
  Nb  Nb5  1  0.520  0.175  0.914  1.0
  Nb  Nb6  1  0.480  0.825  0.414  1.0
  Nb  Nb7  1  0.980  0.675  0.086  1.0
  Nb  Nb8  1  0.846  0.836  0.876  1.0
  Nb  Nb9  1  0.346  0.664  0.624  1.0
  Nb  Nb10  1  0.654  0.336  0.124  1.0
  Nb  Nb11  1  0.154  0.164  0.376  1.0
  Nb  Nb12  1  0.154  0.164  0.124  1.0
  Nb  Nb13  1  0.654  0.336  0.376  1.0
  Nb  Nb14  1  0.346  0.664  0.876  1.0
  Nb  Nb15  1  0.846  0.836  0.624  1.0
  Nb  Nb16  1  0.172  0.992  0.750  1.0
  Nb  Nb17  1  0.672  0.508  0.750  1.0
  Nb  Nb18  1  0.328  0.492  0.250  1.0
  Nb  Nb19  1  0.828  0.008  0.250  1.0
  Ge  Ge20  1  0.689  0.535  0.959  1.0
  Ge  Ge21  1  0.189  0.965  0.541  1.0
  Ge  Ge22  1  0.811  0.035  0.041  1.0
  Ge  Ge23  1  0.311  0.465  0.459  1.0
  Ge  Ge24  1  0.311  0.465  0.041  1.0
  Ge  Ge25  1  0.811  0.035  0.459  1.0
  Ge  Ge26  1  0.189  0.965  0.959  1.0
  Ge  Ge27  1  0.689  0.535  0.541  1.0
  Ge  Ge28  1  0.319  0.340  0.750  1.0
  Ge  Ge29  1  0.819  0.160  0.750  1.0
  Ge  Ge30  1  0.181  0.840  0.250  1.0
  Ge  Ge31  1  0.681  0.660  0.250  1.0
  Ge  Ge32  1  0.046  0.604  0.750  1.0
  Ge  Ge33  1  0.546  0.896  0.750  1.0
  Ge  Ge34  1  0.454  0.104  0.250  1.0
  Ge  Ge35  1  0.954  0.396  0.250  1.0
[/CIF]
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The material described by Nb5Ge4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Ge(3), two equivalent Ge(2), and four equivalent Ge(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the third Nb site, Nb(3) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. There are three inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Nb(1), two equivalent Nb(3), four equivalent Nb(2), and one Ge(2) atom. In the second Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Nb(3), three equivalent Nb(2), and four equivalent Nb(1) atoms. In the third Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Nb(2), two equivalent Nb(3), four equivalent Nb(1), and one Ge(3) atom. is represented by the CIF file [CIF]
data_Nb5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.778
_cell_length_b   6.845
_cell_length_c   13.245
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   614.464
_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
  Nb  Nb0  1  0.020  0.325  0.914  1.0
  Nb  Nb1  1  0.520  0.175  0.586  1.0
  Nb  Nb2  1  0.480  0.825  0.086  1.0
  Nb  Nb3  1  0.980  0.675  0.414  1.0
  Nb  Nb4  1  0.020  0.325  0.586  1.0
  Nb  Nb5  1  0.520  0.175  0.914  1.0
  Nb  Nb6  1  0.480  0.825  0.414  1.0
  Nb  Nb7  1  0.980  0.675  0.086  1.0
  Nb  Nb8  1  0.846  0.836  0.876  1.0
  Nb  Nb9  1  0.346  0.664  0.624  1.0
  Nb  Nb10  1  0.654  0.336  0.124  1.0
  Nb  Nb11  1  0.154  0.164  0.376  1.0
  Nb  Nb12  1  0.154  0.164  0.124  1.0
  Nb  Nb13  1  0.654  0.336  0.376  1.0
  Nb  Nb14  1  0.346  0.664  0.876  1.0
  Nb  Nb15  1  0.846  0.836  0.624  1.0
  Nb  Nb16  1  0.172  0.992  0.750  1.0
  Nb  Nb17  1  0.672  0.508  0.750  1.0
  Nb  Nb18  1  0.328  0.492  0.250  1.0
  Nb  Nb19  1  0.828  0.008  0.250  1.0
  Ge  Ge20  1  0.689  0.535  0.959  1.0
  Ge  Ge21  1  0.189  0.965  0.541  1.0
  Ge  Ge22  1  0.811  0.035  0.041  1.0
  Ge  Ge23  1  0.311  0.465  0.459  1.0
  Ge  Ge24  1  0.311  0.465  0.041  1.0
  Ge  Ge25  1  0.811  0.035  0.459  1.0
  Ge  Ge26  1  0.189  0.965  0.959  1.0
  Ge  Ge27  1  0.689  0.535  0.541  1.0
  Ge  Ge28  1  0.319  0.340  0.750  1.0
  Ge  Ge29  1  0.819  0.160  0.750  1.0
  Ge  Ge30  1  0.181  0.840  0.250  1.0
  Ge  Ge31  1  0.681  0.660  0.250  1.0
  Ge  Ge32  1  0.046  0.604  0.750  1.0
  Ge  Ge33  1  0.546  0.896  0.750  1.0
  Ge  Ge34  1  0.454  0.104  0.250  1.0
  Ge  Ge35  1  0.954  0.396  0.250  1.0
[/CIF]
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