The compound described by Sc3As2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to two equivalent As(1) and three equivalent As(2) atoms. In the second Sc site, Sc(2) is bonded to one As(2) and four equivalent As(1) atoms to form a mixture of distorted edge, face, and corner-sharing ScAs5 square pyramids. In the third Sc site, Sc(3) is bonded to two equivalent As(1) and three equivalent As(2) atoms to form a mixture of distorted edge, face, and corner-sharing ScAs5 square pyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), and four equivalent Sc(2) atoms. In the second As site, As(2) is bonded to one Sc(2), three equivalent Sc(1), and three equivalent Sc(3) atoms to form distorted edge-sharing AsSc7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sc3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.883
_cell_length_b   7.157
_cell_length_c   14.787
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.942
_cell_formula_units_Z   4
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  0.250  0.004  0.396  1.0
  Sc  Sc1  1  0.250  0.504  0.104  1.0
  Sc  Sc2  1  0.750  0.996  0.604  1.0
  Sc  Sc3  1  0.750  0.496  0.896  1.0
  Sc  Sc4  1  0.250  0.163  0.775  1.0
  Sc  Sc5  1  0.250  0.663  0.725  1.0
  Sc  Sc6  1  0.750  0.837  0.225  1.0
  Sc  Sc7  1  0.750  0.337  0.275  1.0
  Sc  Sc8  1  0.250  0.362  0.569  1.0
  Sc  Sc9  1  0.250  0.862  0.931  1.0
  Sc  Sc10  1  0.750  0.638  0.431  1.0
  Sc  Sc11  1  0.750  0.138  0.069  1.0
  As  As12  1  0.250  0.122  0.206  1.0
  As  As13  1  0.250  0.622  0.294  1.0
  As  As14  1  0.750  0.878  0.794  1.0
  As  As15  1  0.750  0.378  0.706  1.0
  As  As16  1  0.250  0.253  0.956  1.0
  As  As17  1  0.250  0.754  0.544  1.0
  As  As18  1  0.750  0.746  0.044  1.0
  As  As19  1  0.750  0.246  0.456  1.0
[/CIF]
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The compound described by Sc3As2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to two equivalent As(1) and three equivalent As(2) atoms. In the second Sc site, Sc(2) is bonded to one As(2) and four equivalent As(1) atoms to form a mixture of distorted edge, face, and corner-sharing ScAs5 square pyramids. In the third Sc site, Sc(3) is bonded to two equivalent As(1) and three equivalent As(2) atoms to form a mixture of distorted edge, face, and corner-sharing ScAs5 square pyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Sc(3), and four equivalent Sc(2) atoms. In the second As site, As(2) is bonded to one Sc(2), three equivalent Sc(1), and three equivalent Sc(3) atoms to form distorted edge-sharing AsSc7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sc3As2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.883
_cell_length_b   7.157
_cell_length_c   14.787
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.942
_cell_formula_units_Z   4
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  0.250  0.004  0.396  1.0
  Sc  Sc1  1  0.250  0.504  0.104  1.0
  Sc  Sc2  1  0.750  0.996  0.604  1.0
  Sc  Sc3  1  0.750  0.496  0.896  1.0
  Sc  Sc4  1  0.250  0.163  0.775  1.0
  Sc  Sc5  1  0.250  0.663  0.725  1.0
  Sc  Sc6  1  0.750  0.837  0.225  1.0
  Sc  Sc7  1  0.750  0.337  0.275  1.0
  Sc  Sc8  1  0.250  0.362  0.569  1.0
  Sc  Sc9  1  0.250  0.862  0.931  1.0
  Sc  Sc10  1  0.750  0.638  0.431  1.0
  Sc  Sc11  1  0.750  0.138  0.069  1.0
  As  As12  1  0.250  0.122  0.206  1.0
  As  As13  1  0.250  0.622  0.294  1.0
  As  As14  1  0.750  0.878  0.794  1.0
  As  As15  1  0.750  0.378  0.706  1.0
  As  As16  1  0.250  0.253  0.956  1.0
  As  As17  1  0.250  0.754  0.544  1.0
  As  As18  1  0.750  0.746  0.044  1.0
  As  As19  1  0.750  0.246  0.456  1.0
[/CIF]
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