The material described by ScCd7 crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded to two equivalent Cd(4), four equivalent Cd(1), four equivalent Cd(2), and four equivalent Cd(3) atoms to form a mixture of distorted corner and face-sharing ScCd14 cuboctahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 11-coordinate geometry to two equivalent Sc(1), one Cd(1), two equivalent Cd(3), two equivalent Cd(4), and four equivalent Cd(2) atoms. In the second Cd site, Cd(2) is bonded in a 11-coordinate geometry to two equivalent Sc(1), one Cd(4), four equivalent Cd(1), and four equivalent Cd(3) atoms. In the third Cd site, Cd(3) is bonded in a 11-coordinate geometry to two equivalent Sc(1), one Cd(3), two equivalent Cd(1), two equivalent Cd(4), and four equivalent Cd(2) atoms. In the fourth Cd site, Cd(4) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Cd(2), four equivalent Cd(1), and four equivalent Cd(3) atoms. is represented by the CIF card [CIF]
data_ScCd7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   9.317
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.087
_symmetry_Int_Tables_number   1
_cell_volume   344.625
_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  0.521  0.479  0.750  1.0
  Sc  Sc1  1  0.479  0.521  0.250  1.0
  Cd  Cd2  1  0.599  0.997  0.750  1.0
  Cd  Cd3  1  0.401  0.003  0.250  1.0
  Cd  Cd4  1  0.997  0.599  0.250  1.0
  Cd  Cd5  1  0.003  0.401  0.750  1.0
  Cd  Cd6  1  0.291  0.709  0.982  1.0
  Cd  Cd7  1  0.709  0.291  0.482  1.0
  Cd  Cd8  1  0.709  0.291  0.018  1.0
  Cd  Cd9  1  0.291  0.709  0.518  1.0
  Cd  Cd10  1  0.210  0.210  0.000  1.0
  Cd  Cd11  1  0.790  0.790  0.500  1.0
  Cd  Cd12  1  0.790  0.790  0.000  1.0
  Cd  Cd13  1  0.210  0.210  0.500  1.0
  Cd  Cd14  1  0.087  0.913  0.750  1.0
  Cd  Cd15  1  0.913  0.087  0.250  1.0
[/CIF]
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The material described by ScCd7 crystallizes in the orthorhombic Cmcm space group. Sc(1) is bonded to two equivalent Cd(4), four equivalent Cd(1), four equivalent Cd(2), and four equivalent Cd(3) atoms to form a mixture of distorted corner and face-sharing ScCd14 cuboctahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 11-coordinate geometry to two equivalent Sc(1), one Cd(1), two equivalent Cd(3), two equivalent Cd(4), and four equivalent Cd(2) atoms. In the second Cd site, Cd(2) is bonded in a 11-coordinate geometry to two equivalent Sc(1), one Cd(4), four equivalent Cd(1), and four equivalent Cd(3) atoms. In the third Cd site, Cd(3) is bonded in a 11-coordinate geometry to two equivalent Sc(1), one Cd(3), two equivalent Cd(1), two equivalent Cd(4), and four equivalent Cd(2) atoms. In the fourth Cd site, Cd(4) is bonded in a 12-coordinate geometry to two equivalent Sc(1), two equivalent Cd(2), four equivalent Cd(1), and four equivalent Cd(3) atoms. is represented by the CIF card [CIF]
data_ScCd7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   6.238
_cell_length_c   9.317
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.087
_symmetry_Int_Tables_number   1
_cell_volume   344.625
_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  0.521  0.479  0.750  1.0
  Sc  Sc1  1  0.479  0.521  0.250  1.0
  Cd  Cd2  1  0.599  0.997  0.750  1.0
  Cd  Cd3  1  0.401  0.003  0.250  1.0
  Cd  Cd4  1  0.997  0.599  0.250  1.0
  Cd  Cd5  1  0.003  0.401  0.750  1.0
  Cd  Cd6  1  0.291  0.709  0.982  1.0
  Cd  Cd7  1  0.709  0.291  0.482  1.0
  Cd  Cd8  1  0.709  0.291  0.018  1.0
  Cd  Cd9  1  0.291  0.709  0.518  1.0
  Cd  Cd10  1  0.210  0.210  0.000  1.0
  Cd  Cd11  1  0.790  0.790  0.500  1.0
  Cd  Cd12  1  0.790  0.790  0.000  1.0
  Cd  Cd13  1  0.210  0.210  0.500  1.0
  Cd  Cd14  1  0.087  0.913  0.750  1.0
  Cd  Cd15  1  0.913  0.087  0.250  1.0
[/CIF]
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