The compound described by Hf3(NbGe2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one Ge(3), two equivalent Ge(1), and three equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), four equivalent Nb(1), and one Ge(3) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Hf(2), four equivalent Hf(1), three equivalent Nb(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Nb(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3(NbGe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   7.015
_cell_length_c   13.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   645.574
_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
  Hf  Hf0  1  0.987  0.826  0.593  1.0
  Hf  Hf1  1  0.170  0.506  0.250  1.0
  Hf  Hf2  1  0.487  0.674  0.907  1.0
  Hf  Hf3  1  0.513  0.326  0.093  1.0
  Hf  Hf4  1  0.670  0.994  0.250  1.0
  Hf  Hf5  1  0.830  0.494  0.750  1.0
  Hf  Hf6  1  0.330  0.006  0.750  1.0
  Hf  Hf7  1  0.487  0.674  0.593  1.0
  Hf  Hf8  1  0.987  0.826  0.907  1.0
  Hf  Hf9  1  0.513  0.326  0.407  1.0
  Hf  Hf10  1  0.013  0.174  0.093  1.0
  Hf  Hf11  1  0.013  0.174  0.407  1.0
  Nb  Nb12  1  0.657  0.171  0.623  1.0
  Nb  Nb13  1  0.157  0.329  0.623  1.0
  Nb  Nb14  1  0.343  0.829  0.123  1.0
  Nb  Nb15  1  0.843  0.671  0.123  1.0
  Nb  Nb16  1  0.657  0.171  0.877  1.0
  Nb  Nb17  1  0.157  0.329  0.877  1.0
  Nb  Nb18  1  0.343  0.829  0.377  1.0
  Nb  Nb19  1  0.843  0.671  0.377  1.0
  Ge  Ge20  1  0.954  0.115  0.750  1.0
  Ge  Ge21  1  0.816  0.464  0.962  1.0
  Ge  Ge22  1  0.809  0.355  0.250  1.0
  Ge  Ge23  1  0.691  0.855  0.750  1.0
  Ge  Ge24  1  0.546  0.615  0.250  1.0
  Ge  Ge25  1  0.684  0.964  0.462  1.0
  Ge  Ge26  1  0.316  0.036  0.962  1.0
  Ge  Ge27  1  0.816  0.464  0.538  1.0
  Ge  Ge28  1  0.046  0.885  0.250  1.0
  Ge  Ge29  1  0.184  0.536  0.038  1.0
  Ge  Ge30  1  0.316  0.036  0.538  1.0
  Ge  Ge31  1  0.191  0.645  0.750  1.0
  Ge  Ge32  1  0.684  0.964  0.038  1.0
  Ge  Ge33  1  0.309  0.145  0.250  1.0
  Ge  Ge34  1  0.454  0.385  0.750  1.0
  Ge  Ge35  1  0.184  0.536  0.462  1.0
[/CIF]
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The compound described by Hf3(NbGe2)2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one Ge(3), two equivalent Ge(1), and three equivalent Ge(2) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), four equivalent Nb(1), and one Ge(3) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Hf(2), four equivalent Hf(1), three equivalent Nb(1), and one Ge(2) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Hf(2), four equivalent Hf(1), two equivalent Nb(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf3(NbGe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.902
_cell_length_b   7.015
_cell_length_c   13.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   645.574
_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
  Hf  Hf0  1  0.987  0.826  0.593  1.0
  Hf  Hf1  1  0.170  0.506  0.250  1.0
  Hf  Hf2  1  0.487  0.674  0.907  1.0
  Hf  Hf3  1  0.513  0.326  0.093  1.0
  Hf  Hf4  1  0.670  0.994  0.250  1.0
  Hf  Hf5  1  0.830  0.494  0.750  1.0
  Hf  Hf6  1  0.330  0.006  0.750  1.0
  Hf  Hf7  1  0.487  0.674  0.593  1.0
  Hf  Hf8  1  0.987  0.826  0.907  1.0
  Hf  Hf9  1  0.513  0.326  0.407  1.0
  Hf  Hf10  1  0.013  0.174  0.093  1.0
  Hf  Hf11  1  0.013  0.174  0.407  1.0
  Nb  Nb12  1  0.657  0.171  0.623  1.0
  Nb  Nb13  1  0.157  0.329  0.623  1.0
  Nb  Nb14  1  0.343  0.829  0.123  1.0
  Nb  Nb15  1  0.843  0.671  0.123  1.0
  Nb  Nb16  1  0.657  0.171  0.877  1.0
  Nb  Nb17  1  0.157  0.329  0.877  1.0
  Nb  Nb18  1  0.343  0.829  0.377  1.0
  Nb  Nb19  1  0.843  0.671  0.377  1.0
  Ge  Ge20  1  0.954  0.115  0.750  1.0
  Ge  Ge21  1  0.816  0.464  0.962  1.0
  Ge  Ge22  1  0.809  0.355  0.250  1.0
  Ge  Ge23  1  0.691  0.855  0.750  1.0
  Ge  Ge24  1  0.546  0.615  0.250  1.0
  Ge  Ge25  1  0.684  0.964  0.462  1.0
  Ge  Ge26  1  0.316  0.036  0.962  1.0
  Ge  Ge27  1  0.816  0.464  0.538  1.0
  Ge  Ge28  1  0.046  0.885  0.250  1.0
  Ge  Ge29  1  0.184  0.536  0.038  1.0
  Ge  Ge30  1  0.316  0.036  0.538  1.0
  Ge  Ge31  1  0.191  0.645  0.750  1.0
  Ge  Ge32  1  0.684  0.964  0.038  1.0
  Ge  Ge33  1  0.309  0.145  0.250  1.0
  Ge  Ge34  1  0.454  0.385  0.750  1.0
  Ge  Ge35  1  0.184  0.536  0.462  1.0
[/CIF]
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