The material structure described by TmScGe 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 Ge(2), two equivalent Ge(1), and two equivalent Ge(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 Ge(2), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Tm site, Tm(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the fourth Tm site, Tm(4) is bonded to one Ge(4), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing TmGe7 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), two equivalent Sc(2), one Ge(2), one Ge(4), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to one Tm(2), two equivalent Tm(1), two equivalent Tm(3), four equivalent Sc(1), 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 one Tm(2), one Tm(4), two equivalent Tm(1), two equivalent Tm(3), two equivalent Sc(2), and one Ge(1) atom. In the second Ge site, Ge(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 Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Tm(4), two equivalent Tm(1), two equivalent Tm(3), two equivalent Sc(2), and four equivalent Sc(1) atoms. In the fourth Ge site, Ge(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_TmScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   8.677
_cell_length_c   9.096
_cell_angle_alpha   58.400
_cell_angle_beta   90.000
_cell_angle_gamma   90.006
_symmetry_Int_Tables_number   1
_cell_volume   411.228
_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  0.262  0.712  1.0
  Tm  Tm1  1  0.750  0.738  0.974  1.0
  Tm  Tm2  1  0.750  1.000  0.300  1.0
  Tm  Tm3  1  0.250  0.741  0.263  1.0
  Tm  Tm4  1  0.250  0.259  0.004  1.0
  Tm  Tm5  1  0.250  0.000  0.746  1.0
  Sc  Sc6  1  0.501  0.313  0.345  1.0
  Sc  Sc7  1  0.501  0.687  0.658  1.0
  Sc  Sc8  1  0.999  0.687  0.658  1.0
  Sc  Sc9  1  0.999  0.313  0.345  1.0
  Sc  Sc10  1  0.750  0.623  0.371  1.0
  Sc  Sc11  1  0.750  0.376  0.994  1.0
  Ge  Ge12  1  0.540  0.000  0.019  1.0
  Ge  Ge13  1  0.960  0.000  0.019  1.0
  Ge  Ge14  1  0.750  1.000  0.612  1.0
  Ge  Ge15  1  0.250  0.401  0.588  1.0
  Ge  Ge16  1  0.250  0.599  0.989  1.0
  Ge  Ge17  1  0.250  0.000  0.401  1.0
[/CIF]
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The material structure described by TmScGe 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 Ge(2), two equivalent Ge(1), and two equivalent Ge(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 Ge(2), two equivalent Ge(1), and two equivalent Ge(4) atoms. In the third Tm site, Tm(3) is bonded in a 7-coordinate geometry to two equivalent Sc(2), one Ge(4), two equivalent Ge(1), and two equivalent Ge(3) atoms. In the fourth Tm site, Tm(4) is bonded to one Ge(4), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms to form distorted corner-sharing TmGe7 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), two equivalent Sc(2), one Ge(2), one Ge(4), and two equivalent Ge(3) atoms. In the second Sc site, Sc(2) is bonded in a 13-coordinate geometry to one Tm(2), two equivalent Tm(1), two equivalent Tm(3), four equivalent Sc(1), 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 one Tm(2), one Tm(4), two equivalent Tm(1), two equivalent Tm(3), two equivalent Sc(2), and one Ge(1) atom. In the second Ge site, Ge(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 Ge site, Ge(3) is bonded in a 9-coordinate geometry to one Tm(4), two equivalent Tm(1), two equivalent Tm(3), two equivalent Sc(2), and four equivalent Sc(1) atoms. In the fourth Ge site, Ge(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_TmScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   8.677
_cell_length_c   9.096
_cell_angle_alpha   58.400
_cell_angle_beta   90.000
_cell_angle_gamma   90.006
_symmetry_Int_Tables_number   1
_cell_volume   411.228
_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  0.262  0.712  1.0
  Tm  Tm1  1  0.750  0.738  0.974  1.0
  Tm  Tm2  1  0.750  1.000  0.300  1.0
  Tm  Tm3  1  0.250  0.741  0.263  1.0
  Tm  Tm4  1  0.250  0.259  0.004  1.0
  Tm  Tm5  1  0.250  0.000  0.746  1.0
  Sc  Sc6  1  0.501  0.313  0.345  1.0
  Sc  Sc7  1  0.501  0.687  0.658  1.0
  Sc  Sc8  1  0.999  0.687  0.658  1.0
  Sc  Sc9  1  0.999  0.313  0.345  1.0
  Sc  Sc10  1  0.750  0.623  0.371  1.0
  Sc  Sc11  1  0.750  0.376  0.994  1.0
  Ge  Ge12  1  0.540  0.000  0.019  1.0
  Ge  Ge13  1  0.960  0.000  0.019  1.0
  Ge  Ge14  1  0.750  1.000  0.612  1.0
  Ge  Ge15  1  0.250  0.401  0.588  1.0
  Ge  Ge16  1  0.250  0.599  0.989  1.0
  Ge  Ge17  1  0.250  0.000  0.401  1.0
[/CIF]
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