The material structure described by HoScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Ho site, Ho(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Ho site, Ho(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Ho site, Ho(4) is bonded to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing HoSi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Ho(2), two equivalent Sc(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 11-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(3), four equivalent Sc(1), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Ho(2), one Ho(4), two equivalent Ho(1), two equivalent Ho(3), two equivalent Sc(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(1), two equivalent Ho(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(2), two equivalent Ho(3), and four equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_HoScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   8.580
_cell_length_c   9.077
_cell_angle_alpha   58.066
_cell_angle_beta   89.997
_cell_angle_gamma   90.019
_symmetry_Int_Tables_number   1
_cell_volume   404.243
_cell_formula_units_Z   6
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
  Ho  Ho0  1  0.750  0.271  0.705  1.0
  Ho  Ho1  1  0.750  0.729  0.975  1.0
  Ho  Ho2  1  0.750  0.000  0.307  1.0
  Ho  Ho3  1  0.250  0.746  0.252  1.0
  Ho  Ho4  1  0.250  0.254  0.998  1.0
  Ho  Ho5  1  0.250  1.000  0.752  1.0
  Sc  Sc6  1  0.499  0.309  0.349  1.0
  Sc  Sc7  1  0.499  0.691  0.658  1.0
  Sc  Sc8  1  0.001  0.691  0.658  1.0
  Sc  Sc9  1  0.001  0.309  0.349  1.0
  Sc  Sc10  1  0.750  0.638  0.358  1.0
  Sc  Sc11  1  0.750  0.362  0.995  1.0
  Si  Si12  1  0.556  1.000  0.023  1.0
  Si  Si13  1  0.944  1.000  0.023  1.0
  Si  Si14  1  0.750  0.000  0.618  1.0
  Si  Si15  1  0.250  0.405  0.583  1.0
  Si  Si16  1  0.250  0.594  0.988  1.0
  Si  Si17  1  0.250  1.000  0.409  1.0
[/CIF]
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The material structure described by HoScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. In the second Ho site, Ho(2) is bonded in a 11-coordinate geometry to two equivalent Sc(2), four equivalent Sc(1), one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. In the third Ho site, Ho(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Si(4), two equivalent Si(1), and two equivalent Si(3) atoms. In the fourth Ho site, Ho(4) is bonded to one Si(4), two equivalent Si(1), two equivalent Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing HoSi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Ho(2), two equivalent Sc(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 11-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(3), four equivalent Sc(1), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Ho(2), one Ho(4), two equivalent Ho(1), two equivalent Ho(3), two equivalent Sc(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Ho(2), two equivalent Ho(1), two equivalent Ho(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(1), two equivalent Ho(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Ho(4), two equivalent Ho(2), two equivalent Ho(3), and four equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_HoScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   8.580
_cell_length_c   9.077
_cell_angle_alpha   58.066
_cell_angle_beta   89.997
_cell_angle_gamma   90.019
_symmetry_Int_Tables_number   1
_cell_volume   404.243
_cell_formula_units_Z   6
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
  Ho  Ho0  1  0.750  0.271  0.705  1.0
  Ho  Ho1  1  0.750  0.729  0.975  1.0
  Ho  Ho2  1  0.750  0.000  0.307  1.0
  Ho  Ho3  1  0.250  0.746  0.252  1.0
  Ho  Ho4  1  0.250  0.254  0.998  1.0
  Ho  Ho5  1  0.250  1.000  0.752  1.0
  Sc  Sc6  1  0.499  0.309  0.349  1.0
  Sc  Sc7  1  0.499  0.691  0.658  1.0
  Sc  Sc8  1  0.001  0.691  0.658  1.0
  Sc  Sc9  1  0.001  0.309  0.349  1.0
  Sc  Sc10  1  0.750  0.638  0.358  1.0
  Sc  Sc11  1  0.750  0.362  0.995  1.0
  Si  Si12  1  0.556  1.000  0.023  1.0
  Si  Si13  1  0.944  1.000  0.023  1.0
  Si  Si14  1  0.750  0.000  0.618  1.0
  Si  Si15  1  0.250  0.405  0.583  1.0
  Si  Si16  1  0.250  0.594  0.988  1.0
  Si  Si17  1  0.250  1.000  0.409  1.0
[/CIF]
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