The structure described by TmScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Tm sites. In the first Tm site, Tm(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 Tm site, Tm(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 Tm site, Tm(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 Tm site, Tm(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 TmSi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Tm(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Tm(2), two equivalent Tm(1), two equivalent Tm(3), 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 Tm(2), one Tm(4), two equivalent Tm(1), two equivalent Tm(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 Tm(2), two equivalent Tm(1), two equivalent Tm(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Tm(4), two equivalent Tm(1), two equivalent Tm(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Tm(4), two equivalent Tm(2), two equivalent Tm(3), and four equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_TmScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   8.530
_cell_length_c   9.042
_cell_angle_alpha   122.017
_cell_angle_beta   89.999
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   397.873
_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
  Tm  Tm0  1  0.750  0.268  0.974  1.0
  Tm  Tm1  1  0.750  0.732  0.705  1.0
  Tm  Tm2  1  0.750  0.000  0.309  1.0
  Tm  Tm3  1  0.250  0.747  0.000  1.0
  Tm  Tm4  1  0.250  0.253  0.253  1.0
  Tm  Tm5  1  0.250  1.000  0.755  1.0
  Sc  Sc6  1  0.498  0.312  0.658  1.0
  Sc  Sc7  1  0.498  0.688  0.346  1.0
  Sc  Sc8  1  0.002  0.688  0.346  1.0
  Sc  Sc9  1  0.002  0.312  0.658  1.0
  Sc  Sc10  1  0.750  0.638  0.995  1.0
  Sc  Sc11  1  0.750  0.362  0.356  1.0
  Si  Si12  1  0.556  1.000  0.024  1.0
  Si  Si13  1  0.944  1.000  0.024  1.0
  Si  Si14  1  0.750  0.000  0.617  1.0
  Si  Si15  1  0.250  0.407  0.988  1.0
  Si  Si16  1  0.250  0.593  0.581  1.0
  Si  Si17  1  0.250  1.000  0.410  1.0
[/CIF]
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The structure described by TmScSi is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Tm sites. In the first Tm site, Tm(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 Tm site, Tm(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 Tm site, Tm(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 Tm site, Tm(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 TmSi7 pentagonal bipyramids. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to one Tm(2), one Si(2), one Si(4), and two equivalent Si(3) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Tm(2), two equivalent Tm(1), two equivalent Tm(3), 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 Tm(2), one Tm(4), two equivalent Tm(1), two equivalent Tm(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 Tm(2), two equivalent Tm(1), two equivalent Tm(4), and four equivalent Sc(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Tm(4), two equivalent Tm(1), two equivalent Tm(3), and four equivalent Sc(1) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Tm(4), two equivalent Tm(2), two equivalent Tm(3), and four equivalent Sc(1) atoms. is represented by the CIF card [CIF]
data_TmScSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   8.530
_cell_length_c   9.042
_cell_angle_alpha   122.017
_cell_angle_beta   89.999
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   397.873
_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
  Tm  Tm0  1  0.750  0.268  0.974  1.0
  Tm  Tm1  1  0.750  0.732  0.705  1.0
  Tm  Tm2  1  0.750  0.000  0.309  1.0
  Tm  Tm3  1  0.250  0.747  0.000  1.0
  Tm  Tm4  1  0.250  0.253  0.253  1.0
  Tm  Tm5  1  0.250  1.000  0.755  1.0
  Sc  Sc6  1  0.498  0.312  0.658  1.0
  Sc  Sc7  1  0.498  0.688  0.346  1.0
  Sc  Sc8  1  0.002  0.688  0.346  1.0
  Sc  Sc9  1  0.002  0.312  0.658  1.0
  Sc  Sc10  1  0.750  0.638  0.995  1.0
  Sc  Sc11  1  0.750  0.362  0.356  1.0
  Si  Si12  1  0.556  1.000  0.024  1.0
  Si  Si13  1  0.944  1.000  0.024  1.0
  Si  Si14  1  0.750  0.000  0.617  1.0
  Si  Si15  1  0.250  0.407  0.988  1.0
  Si  Si16  1  0.250  0.593  0.581  1.0
  Si  Si17  1  0.250  1.000  0.410  1.0
[/CIF]
.