The crystal structure described by Ca2ScPt7P3 crystallizes in the tetragonal I-4m2 space group. Ca(1) is bonded in a 15-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), five equivalent Pt(3), two equivalent P(2), and four equivalent P(1) atoms. Sc(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(4) atoms to form a mixture of face and corner-sharing ScPt12 cuboctahedra. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Sc(1), two equivalent Pt(4), four equivalent Pt(2), and two equivalent P(1) atoms. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Sc(1), two equivalent Pt(4), four equivalent Pt(1), and two equivalent P(1) atoms. In the third Pt site, Pt(3) is bonded in a 7-coordinate geometry to five equivalent Ca(1), one P(1), and two equivalent P(2) atoms. In the fourth Pt site, Pt(4) is bonded in a distorted square co-planar geometry to four equivalent Sc(1), four equivalent Pt(1), and four equivalent Pt(2) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the third P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Pt(3) atoms. In the fourth P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the fifth P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_Ca2ScP3Pt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.053
_cell_length_b   14.053
_cell_length_c   14.053
_cell_angle_alpha   163.355
_cell_angle_beta   163.355
_cell_angle_gamma   23.624
_symmetry_Int_Tables_number   1
_cell_volume   227.662
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.667  0.667  0.000  1.0
  Ca  Ca1  1  0.333  0.333  0.000  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  P  P3  1  0.877  0.877  0.000  1.0
  P  P4  1  0.123  0.123  0.000  1.0
  P  P5  1  0.250  0.750  0.500  1.0
  Pt  Pt6  1  0.427  0.927  0.500  1.0
  Pt  Pt7  1  0.926  0.426  0.500  1.0
  Pt  Pt8  1  0.574  0.074  0.500  1.0
  Pt  Pt9  1  0.073  0.573  0.500  1.0
  Pt  Pt10  1  0.793  0.793  0.000  1.0
  Pt  Pt11  1  0.207  0.207  0.000  1.0
  Pt  Pt12  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Ca2ScPt7P3 crystallizes in the tetragonal I-4m2 space group. Ca(1) is bonded in a 15-coordinate geometry to two equivalent Pt(1), two equivalent Pt(2), five equivalent Pt(3), two equivalent P(2), and four equivalent P(1) atoms. Sc(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(4) atoms to form a mixture of face and corner-sharing ScPt12 cuboctahedra. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Sc(1), two equivalent Pt(4), four equivalent Pt(2), and two equivalent P(1) atoms. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to two equivalent Ca(1), two equivalent Sc(1), two equivalent Pt(4), four equivalent Pt(1), and two equivalent P(1) atoms. In the third Pt site, Pt(3) is bonded in a 7-coordinate geometry to five equivalent Ca(1), one P(1), and two equivalent P(2) atoms. In the fourth Pt site, Pt(4) is bonded in a distorted square co-planar geometry to four equivalent Sc(1), four equivalent Pt(1), and four equivalent Pt(2) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the third P site, P(2) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Pt(3) atoms. In the fourth P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. In the fifth P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Pt(3), two equivalent Pt(1), and two equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_Ca2ScP3Pt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.053
_cell_length_b   14.053
_cell_length_c   14.053
_cell_angle_alpha   163.355
_cell_angle_beta   163.355
_cell_angle_gamma   23.624
_symmetry_Int_Tables_number   1
_cell_volume   227.662
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.667  0.667  0.000  1.0
  Ca  Ca1  1  0.333  0.333  0.000  1.0
  Sc  Sc2  1  0.500  0.500  0.000  1.0
  P  P3  1  0.877  0.877  0.000  1.0
  P  P4  1  0.123  0.123  0.000  1.0
  P  P5  1  0.250  0.750  0.500  1.0
  Pt  Pt6  1  0.427  0.927  0.500  1.0
  Pt  Pt7  1  0.926  0.426  0.500  1.0
  Pt  Pt8  1  0.574  0.074  0.500  1.0
  Pt  Pt9  1  0.073  0.573  0.500  1.0
  Pt  Pt10  1  0.793  0.793  0.000  1.0
  Pt  Pt11  1  0.207  0.207  0.000  1.0
  Pt  Pt12  1  0.000  0.000  0.000  1.0
[/CIF]
.