The material described by Y5Ge4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form corner-sharing YGe6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Ge(1), two equivalent Ge(2), and three equivalent Ge(3) atoms. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(1), and three equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Y(3), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), four equivalent Y(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 7-coordinate geometry to one Y(1), three equivalent Y(2), and three equivalent Y(3) atoms. is represented by the CIF file [CIF]
data_Y5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.666
_cell_length_b   7.726
_cell_length_c   14.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   871.776
_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
  Y  Y0  1  0.781  0.503  0.250  1.0
  Y  Y1  1  0.281  0.997  0.250  1.0
  Y  Y2  1  0.719  0.003  0.750  1.0
  Y  Y3  1  0.219  0.497  0.750  1.0
  Y  Y4  1  0.383  0.159  0.884  1.0
  Y  Y5  1  0.883  0.341  0.616  1.0
  Y  Y6  1  0.117  0.659  0.116  1.0
  Y  Y7  1  0.617  0.841  0.384  1.0
  Y  Y8  1  0.617  0.841  0.116  1.0
  Y  Y9  1  0.117  0.659  0.384  1.0
  Y  Y10  1  0.883  0.341  0.884  1.0
  Y  Y11  1  0.383  0.159  0.616  1.0
  Y  Y12  1  0.036  0.826  0.897  1.0
  Y  Y13  1  0.536  0.674  0.603  1.0
  Y  Y14  1  0.464  0.326  0.103  1.0
  Y  Y15  1  0.964  0.174  0.397  1.0
  Y  Y16  1  0.964  0.174  0.103  1.0
  Y  Y17  1  0.464  0.326  0.397  1.0
  Y  Y18  1  0.536  0.674  0.897  1.0
  Y  Y19  1  0.036  0.826  0.603  1.0
  Ge  Ge20  1  0.340  0.863  0.750  1.0
  Ge  Ge21  1  0.840  0.637  0.750  1.0
  Ge  Ge22  1  0.160  0.363  0.250  1.0
  Ge  Ge23  1  0.660  0.137  0.250  1.0
  Ge  Ge24  1  0.088  0.118  0.750  1.0
  Ge  Ge25  1  0.588  0.382  0.750  1.0
  Ge  Ge26  1  0.412  0.618  0.250  1.0
  Ge  Ge27  1  0.912  0.882  0.250  1.0
  Ge  Ge28  1  0.225  0.471  0.954  1.0
  Ge  Ge29  1  0.725  0.029  0.546  1.0
  Ge  Ge30  1  0.275  0.971  0.046  1.0
  Ge  Ge31  1  0.775  0.529  0.454  1.0
  Ge  Ge32  1  0.775  0.529  0.046  1.0
  Ge  Ge33  1  0.275  0.971  0.454  1.0
  Ge  Ge34  1  0.725  0.029  0.954  1.0
  Ge  Ge35  1  0.225  0.471  0.546  1.0
[/CIF]
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The material described by Y5Ge4 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form corner-sharing YGe6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Ge(1), two equivalent Ge(2), and three equivalent Ge(3) atoms. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one Ge(2), two equivalent Ge(1), and three equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), four equivalent Y(3), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(3), four equivalent Y(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 7-coordinate geometry to one Y(1), three equivalent Y(2), and three equivalent Y(3) atoms. is represented by the CIF file [CIF]
data_Y5Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.666
_cell_length_b   7.726
_cell_length_c   14.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   871.776
_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
  Y  Y0  1  0.781  0.503  0.250  1.0
  Y  Y1  1  0.281  0.997  0.250  1.0
  Y  Y2  1  0.719  0.003  0.750  1.0
  Y  Y3  1  0.219  0.497  0.750  1.0
  Y  Y4  1  0.383  0.159  0.884  1.0
  Y  Y5  1  0.883  0.341  0.616  1.0
  Y  Y6  1  0.117  0.659  0.116  1.0
  Y  Y7  1  0.617  0.841  0.384  1.0
  Y  Y8  1  0.617  0.841  0.116  1.0
  Y  Y9  1  0.117  0.659  0.384  1.0
  Y  Y10  1  0.883  0.341  0.884  1.0
  Y  Y11  1  0.383  0.159  0.616  1.0
  Y  Y12  1  0.036  0.826  0.897  1.0
  Y  Y13  1  0.536  0.674  0.603  1.0
  Y  Y14  1  0.464  0.326  0.103  1.0
  Y  Y15  1  0.964  0.174  0.397  1.0
  Y  Y16  1  0.964  0.174  0.103  1.0
  Y  Y17  1  0.464  0.326  0.397  1.0
  Y  Y18  1  0.536  0.674  0.897  1.0
  Y  Y19  1  0.036  0.826  0.603  1.0
  Ge  Ge20  1  0.340  0.863  0.750  1.0
  Ge  Ge21  1  0.840  0.637  0.750  1.0
  Ge  Ge22  1  0.160  0.363  0.250  1.0
  Ge  Ge23  1  0.660  0.137  0.250  1.0
  Ge  Ge24  1  0.088  0.118  0.750  1.0
  Ge  Ge25  1  0.588  0.382  0.750  1.0
  Ge  Ge26  1  0.412  0.618  0.250  1.0
  Ge  Ge27  1  0.912  0.882  0.250  1.0
  Ge  Ge28  1  0.225  0.471  0.954  1.0
  Ge  Ge29  1  0.725  0.029  0.546  1.0
  Ge  Ge30  1  0.275  0.971  0.046  1.0
  Ge  Ge31  1  0.775  0.529  0.454  1.0
  Ge  Ge32  1  0.775  0.529  0.046  1.0
  Ge  Ge33  1  0.275  0.971  0.454  1.0
  Ge  Ge34  1  0.725  0.029  0.954  1.0
  Ge  Ge35  1  0.225  0.471  0.546  1.0
[/CIF]
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