The structure described by ScAgSn crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 11-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), one Sn(1), and four equivalent Sn(2) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the third Sc site, Sc(3) is bonded in a 9-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), one Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ag(2), two equivalent Sn(1), and two equivalent Sn(2) atoms to form distorted face-sharing AgSc6Ag2Sn4 cuboctahedra. In the second Ag site, Ag(2) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ag(1), one Ag(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Sc(1), one Sc(3), two equivalent Sc(2), two equivalent Ag(1), and four equivalent Ag(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ag(1), and two equivalent Ag(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScAgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   8.352
_cell_length_c   8.352
_cell_angle_alpha   129.401
_cell_angle_beta   117.018
_cell_angle_gamma   84.891
_symmetry_Int_Tables_number   1
_cell_volume   383.918
_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
  Sc  Sc0  1  0.042  0.827  0.285  1.0
  Sc  Sc1  1  0.958  0.243  0.785  1.0
  Sc  Sc2  1  0.479  0.240  0.260  1.0
  Sc  Sc3  1  0.521  0.781  0.760  1.0
  Sc  Sc4  1  0.749  0.678  0.429  1.0
  Sc  Sc5  1  0.251  0.680  0.929  1.0
  Ag  Ag6  1  0.000  0.999  0.999  1.0
  Ag  Ag7  1  0.500  0.999  0.499  1.0
  Ag  Ag8  1  0.645  0.489  0.890  1.0
  Ag  Ag9  1  0.355  0.245  0.844  1.0
  Ag  Ag10  1  0.901  0.245  0.390  1.0
  Ag  Ag11  1  0.099  0.489  0.344  1.0
  Sn  Sn12  1  0.271  0.265  0.494  1.0
  Sn  Sn13  1  0.729  0.223  0.994  1.0
  Sn  Sn14  1  0.836  0.576  0.746  1.0
  Sn  Sn15  1  0.164  0.910  0.740  1.0
  Sn  Sn16  1  0.670  0.910  0.246  1.0
  Sn  Sn17  1  0.330  0.576  0.240  1.0
[/CIF]
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The structure described by ScAgSn crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 11-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), one Sn(1), and four equivalent Sn(2) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the third Sc site, Sc(3) is bonded in a 9-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), one Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), two equivalent Ag(2), two equivalent Sn(1), and two equivalent Sn(2) atoms to form distorted face-sharing AgSc6Ag2Sn4 cuboctahedra. In the second Ag site, Ag(2) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ag(1), one Ag(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Sc(1), one Sc(3), two equivalent Sc(2), two equivalent Ag(1), and four equivalent Ag(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Ag(1), and two equivalent Ag(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScAgSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   8.352
_cell_length_c   8.352
_cell_angle_alpha   129.401
_cell_angle_beta   117.018
_cell_angle_gamma   84.891
_symmetry_Int_Tables_number   1
_cell_volume   383.918
_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
  Sc  Sc0  1  0.042  0.827  0.285  1.0
  Sc  Sc1  1  0.958  0.243  0.785  1.0
  Sc  Sc2  1  0.479  0.240  0.260  1.0
  Sc  Sc3  1  0.521  0.781  0.760  1.0
  Sc  Sc4  1  0.749  0.678  0.429  1.0
  Sc  Sc5  1  0.251  0.680  0.929  1.0
  Ag  Ag6  1  0.000  0.999  0.999  1.0
  Ag  Ag7  1  0.500  0.999  0.499  1.0
  Ag  Ag8  1  0.645  0.489  0.890  1.0
  Ag  Ag9  1  0.355  0.245  0.844  1.0
  Ag  Ag10  1  0.901  0.245  0.390  1.0
  Ag  Ag11  1  0.099  0.489  0.344  1.0
  Sn  Sn12  1  0.271  0.265  0.494  1.0
  Sn  Sn13  1  0.729  0.223  0.994  1.0
  Sn  Sn14  1  0.836  0.576  0.746  1.0
  Sn  Sn15  1  0.164  0.910  0.740  1.0
  Sn  Sn16  1  0.670  0.910  0.246  1.0
  Sn  Sn17  1  0.330  0.576  0.240  1.0
[/CIF]
.