The compound described by Sc5Hf5Ge6 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Ge(4), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Ge(2), one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Ge(2), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Ge(2), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Hf(2), two equivalent Hf(1), and two equivalent Hf(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Hf(2), and two equivalent Hf(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), two equivalent Hf(1), and two equivalent Hf(3) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), two equivalent Hf(2), and two equivalent Hf(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Sc5Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   7.961
_cell_length_c   5.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.864
_symmetry_Int_Tables_number   1
_cell_volume   310.865
_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
  Hf  Hf0  1  0.244  0.999  0.500  1.0
  Hf  Hf1  1  0.999  0.244  0.500  1.0
  Hf  Hf2  1  0.757  0.757  0.500  1.0
  Hf  Hf3  1  0.754  0.999  0.000  1.0
  Hf  Hf4  1  0.999  0.754  0.000  1.0
  Sc  Sc5  1  0.245  0.245  0.000  1.0
  Sc  Sc6  1  0.668  0.334  0.251  1.0
  Sc  Sc7  1  0.334  0.668  0.251  1.0
  Sc  Sc8  1  0.334  0.668  0.749  1.0
  Sc  Sc9  1  0.668  0.334  0.749  1.0
  Ge  Ge10  1  0.609  0.000  0.500  1.0
  Ge  Ge11  1  0.000  0.609  0.500  1.0
  Ge  Ge12  1  0.391  0.391  0.500  1.0
  Ge  Ge13  1  0.391  0.001  0.000  1.0
  Ge  Ge14  1  0.001  0.391  0.000  1.0
  Ge  Ge15  1  0.609  0.609  0.000  1.0
[/CIF]
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The compound described by Sc5Hf5Ge6 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Ge(4), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to one Ge(2), one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Ge(2), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Ge(2), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Hf site, Hf(3) is bonded in a 5-coordinate geometry to one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Hf(2), two equivalent Hf(1), and two equivalent Hf(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(2), one Hf(2), and two equivalent Hf(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), two equivalent Hf(1), and two equivalent Hf(3) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), two equivalent Hf(2), and two equivalent Hf(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf5Sc5Ge6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.961
_cell_length_b   7.961
_cell_length_c   5.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.864
_symmetry_Int_Tables_number   1
_cell_volume   310.865
_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
  Hf  Hf0  1  0.244  0.999  0.500  1.0
  Hf  Hf1  1  0.999  0.244  0.500  1.0
  Hf  Hf2  1  0.757  0.757  0.500  1.0
  Hf  Hf3  1  0.754  0.999  0.000  1.0
  Hf  Hf4  1  0.999  0.754  0.000  1.0
  Sc  Sc5  1  0.245  0.245  0.000  1.0
  Sc  Sc6  1  0.668  0.334  0.251  1.0
  Sc  Sc7  1  0.334  0.668  0.251  1.0
  Sc  Sc8  1  0.334  0.668  0.749  1.0
  Sc  Sc9  1  0.668  0.334  0.749  1.0
  Ge  Ge10  1  0.609  0.000  0.500  1.0
  Ge  Ge11  1  0.000  0.609  0.500  1.0
  Ge  Ge12  1  0.391  0.391  0.500  1.0
  Ge  Ge13  1  0.391  0.001  0.000  1.0
  Ge  Ge14  1  0.001  0.391  0.000  1.0
  Ge  Ge15  1  0.609  0.609  0.000  1.0
[/CIF]
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