The material described by Sc7P3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. In the second Sc site, Sc(3) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the third Sc site, Sc(2) is bonded in a 3-coordinate geometry to four equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), and four equivalent Sc(3) atoms. is represented by the CIF file [CIF]
data_Sc7P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.988
_cell_length_b   8.988
_cell_length_c   5.679
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   397.300
_cell_formula_units_Z   2
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  0.333  0.667  0.408  1.0
  Sc  Sc1  1  0.667  0.333  0.908  1.0
  Sc  Sc2  1  0.124  0.876  0.236  1.0
  Sc  Sc3  1  0.752  0.876  0.236  1.0
  Sc  Sc4  1  0.124  0.248  0.236  1.0
  Sc  Sc5  1  0.876  0.124  0.736  1.0
  Sc  Sc6  1  0.248  0.124  0.736  1.0
  Sc  Sc7  1  0.876  0.752  0.736  1.0
  Sc  Sc8  1  0.535  0.465  0.473  1.0
  Sc  Sc9  1  0.930  0.465  0.473  1.0
  Sc  Sc10  1  0.535  0.070  0.473  1.0
  Sc  Sc11  1  0.465  0.535  0.973  1.0
  Sc  Sc12  1  0.070  0.535  0.973  1.0
  Sc  Sc13  1  0.465  0.930  0.973  1.0
  P  P14  1  0.809  0.192  0.181  1.0
  P  P15  1  0.383  0.192  0.181  1.0
  P  P16  1  0.809  0.617  0.181  1.0
  P  P17  1  0.191  0.808  0.681  1.0
  P  P18  1  0.617  0.808  0.681  1.0
  P  P19  1  0.191  0.383  0.681  1.0
[/CIF]
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The material described by Sc7P3 crystallizes in the hexagonal P6_3mc space group. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms. In the second Sc site, Sc(3) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the third Sc site, Sc(2) is bonded in a 3-coordinate geometry to four equivalent P(1) atoms. P(1) is bonded in a 9-coordinate geometry to one Sc(1), four equivalent Sc(2), and four equivalent Sc(3) atoms. is represented by the CIF file [CIF]
data_Sc7P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.988
_cell_length_b   8.988
_cell_length_c   5.679
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   397.300
_cell_formula_units_Z   2
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  0.333  0.667  0.408  1.0
  Sc  Sc1  1  0.667  0.333  0.908  1.0
  Sc  Sc2  1  0.124  0.876  0.236  1.0
  Sc  Sc3  1  0.752  0.876  0.236  1.0
  Sc  Sc4  1  0.124  0.248  0.236  1.0
  Sc  Sc5  1  0.876  0.124  0.736  1.0
  Sc  Sc6  1  0.248  0.124  0.736  1.0
  Sc  Sc7  1  0.876  0.752  0.736  1.0
  Sc  Sc8  1  0.535  0.465  0.473  1.0
  Sc  Sc9  1  0.930  0.465  0.473  1.0
  Sc  Sc10  1  0.535  0.070  0.473  1.0
  Sc  Sc11  1  0.465  0.535  0.973  1.0
  Sc  Sc12  1  0.070  0.535  0.973  1.0
  Sc  Sc13  1  0.465  0.930  0.973  1.0
  P  P14  1  0.809  0.192  0.181  1.0
  P  P15  1  0.383  0.192  0.181  1.0
  P  P16  1  0.809  0.617  0.181  1.0
  P  P17  1  0.191  0.808  0.681  1.0
  P  P18  1  0.617  0.808  0.681  1.0
  P  P19  1  0.191  0.383  0.681  1.0
[/CIF]
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