The compound described by Sc3P2 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded to two equivalent P(2) and three equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing ScP5 square pyramids. In the third Sc site, Sc(3) is bonded to two equivalent P(1) and three equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing ScP5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Sc(1), two equivalent Sc(3), and three equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing PSc7 pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), and three equivalent Sc(3) atoms. is represented by the CIF file [CIF]
data_Sc3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.729
_cell_length_b   10.176
_cell_length_c   10.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   382.360
_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  0.750  0.776  0.200  1.0
  Sc  Sc1  1  0.250  0.224  0.800  1.0
  Sc  Sc2  1  0.750  0.276  0.300  1.0
  Sc  Sc3  1  0.250  0.724  0.700  1.0
  Sc  Sc4  1  0.250  0.874  0.438  1.0
  Sc  Sc5  1  0.750  0.126  0.562  1.0
  Sc  Sc6  1  0.250  0.374  0.062  1.0
  Sc  Sc7  1  0.750  0.626  0.938  1.0
  Sc  Sc8  1  0.250  0.547  0.367  1.0
  Sc  Sc9  1  0.750  0.453  0.633  1.0
  Sc  Sc10  1  0.250  0.047  0.133  1.0
  Sc  Sc11  1  0.750  0.953  0.867  1.0
  P  P12  1  0.250  0.988  0.679  1.0
  P  P13  1  0.750  0.012  0.321  1.0
  P  P14  1  0.250  0.488  0.821  1.0
  P  P15  1  0.750  0.512  0.179  1.0
  P  P16  1  0.250  0.814  0.003  1.0
  P  P17  1  0.750  0.186  0.997  1.0
  P  P18  1  0.250  0.314  0.497  1.0
  P  P19  1  0.750  0.686  0.503  1.0
[/CIF]
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The compound described by Sc3P2 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and three equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded to two equivalent P(2) and three equivalent P(1) atoms to form a mixture of distorted corner and edge-sharing ScP5 square pyramids. In the third Sc site, Sc(3) is bonded to two equivalent P(1) and three equivalent P(2) atoms to form a mixture of distorted corner and edge-sharing ScP5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Sc(1), two equivalent Sc(3), and three equivalent Sc(2) atoms to form a mixture of distorted corner and edge-sharing PSc7 pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Sc(2), three equivalent Sc(1), and three equivalent Sc(3) atoms. is represented by the CIF file [CIF]
data_Sc3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.729
_cell_length_b   10.176
_cell_length_c   10.076
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   382.360
_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  0.750  0.776  0.200  1.0
  Sc  Sc1  1  0.250  0.224  0.800  1.0
  Sc  Sc2  1  0.750  0.276  0.300  1.0
  Sc  Sc3  1  0.250  0.724  0.700  1.0
  Sc  Sc4  1  0.250  0.874  0.438  1.0
  Sc  Sc5  1  0.750  0.126  0.562  1.0
  Sc  Sc6  1  0.250  0.374  0.062  1.0
  Sc  Sc7  1  0.750  0.626  0.938  1.0
  Sc  Sc8  1  0.250  0.547  0.367  1.0
  Sc  Sc9  1  0.750  0.453  0.633  1.0
  Sc  Sc10  1  0.250  0.047  0.133  1.0
  Sc  Sc11  1  0.750  0.953  0.867  1.0
  P  P12  1  0.250  0.988  0.679  1.0
  P  P13  1  0.750  0.012  0.321  1.0
  P  P14  1  0.250  0.488  0.821  1.0
  P  P15  1  0.750  0.512  0.179  1.0
  P  P16  1  0.250  0.814  0.003  1.0
  P  P17  1  0.750  0.186  0.997  1.0
  P  P18  1  0.250  0.314  0.497  1.0
  P  P19  1  0.750  0.686  0.503  1.0
[/CIF]
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