The material structure described by Sc2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), three equivalent Co(2), six equivalent Co(3), and six equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded to six equivalent Co(1) and six equivalent P(1) atoms to form distorted ScCo6P6 cuboctahedra that share corners with six equivalent Co(3)Sc2P4 tetrahedra, corners with six equivalent Co(2)ScP4 tetrahedra, edges with three equivalent Co(3)Sc2P4 tetrahedra, and faces with two equivalent Sc(2)Co6P6 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Sc(2), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded to one Sc(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted CoScP4 tetrahedra that share corners with two equivalent Sc(2)Co6P6 cuboctahedra, corners with two equivalent Co(3)Sc2P4 tetrahedra, corners with six equivalent Co(2)ScP4 tetrahedra, edges with two equivalent Co(3)Sc2P4 tetrahedra, and faces with two equivalent Co(3)Sc2P4 tetrahedra. In the third Co site, Co(3) is bonded to two equivalent Sc(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted CoSc2P4 tetrahedra that share corners with two equivalent Sc(2)Co6P6 cuboctahedra, corners with two equivalent Co(2)ScP4 tetrahedra, corners with four equivalent Co(3)Sc2P4 tetrahedra,  an edgeedge with one Sc(2)Co6P6 cuboctahedra, edges with two equivalent Co(3)Sc2P4 tetrahedra, edges with two equivalent Co(2)ScP4 tetrahedra, faces with two equivalent Co(3)Sc2P4 tetrahedra, and faces with two equivalent Co(2)ScP4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(4) atoms. is represented by the CIF card [CIF]
data_Sc2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.957
_cell_length_b   8.957
_cell_length_c   3.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.758
_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
  Sc  Sc0  1  0.667  0.333  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.772  0.042  0.000  1.0
  Co  Co3  1  0.958  0.729  0.000  1.0
  Co  Co4  1  0.271  0.228  0.000  1.0
  Co  Co5  1  0.488  0.546  0.000  1.0
  Co  Co6  1  0.454  0.942  0.000  1.0
  Co  Co7  1  0.058  0.512  0.000  1.0
  Co  Co8  1  0.715  0.611  0.500  1.0
  Co  Co9  1  0.389  0.104  0.500  1.0
  Co  Co10  1  0.896  0.285  0.500  1.0
  Co  Co11  1  0.567  0.799  0.500  1.0
  Co  Co12  1  0.201  0.768  0.500  1.0
  Co  Co13  1  0.232  0.433  0.500  1.0
  P  P14  1  0.743  0.784  0.000  1.0
  P  P15  1  0.216  0.959  0.000  1.0
  P  P16  1  0.041  0.257  0.000  1.0
  P  P17  1  0.449  0.374  0.500  1.0
  P  P18  1  0.626  0.075  0.500  1.0
  P  P19  1  0.925  0.551  0.500  1.0
  P  P20  1  0.333  0.667  0.000  1.0
[/CIF]
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The material structure described by Sc2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), three equivalent Co(2), six equivalent Co(3), and six equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded to six equivalent Co(1) and six equivalent P(1) atoms to form distorted ScCo6P6 cuboctahedra that share corners with six equivalent Co(3)Sc2P4 tetrahedra, corners with six equivalent Co(2)ScP4 tetrahedra, edges with three equivalent Co(3)Sc2P4 tetrahedra, and faces with two equivalent Sc(2)Co6P6 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Sc(1), two equivalent Sc(2), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded to one Sc(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted CoScP4 tetrahedra that share corners with two equivalent Sc(2)Co6P6 cuboctahedra, corners with two equivalent Co(3)Sc2P4 tetrahedra, corners with six equivalent Co(2)ScP4 tetrahedra, edges with two equivalent Co(3)Sc2P4 tetrahedra, and faces with two equivalent Co(3)Sc2P4 tetrahedra. In the third Co site, Co(3) is bonded to two equivalent Sc(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted CoSc2P4 tetrahedra that share corners with two equivalent Sc(2)Co6P6 cuboctahedra, corners with two equivalent Co(2)ScP4 tetrahedra, corners with four equivalent Co(3)Sc2P4 tetrahedra,  an edgeedge with one Sc(2)Co6P6 cuboctahedra, edges with two equivalent Co(3)Sc2P4 tetrahedra, edges with two equivalent Co(2)ScP4 tetrahedra, faces with two equivalent Co(3)Sc2P4 tetrahedra, and faces with two equivalent Co(2)ScP4 tetrahedra. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(4) atoms. is represented by the CIF card [CIF]
data_Sc2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.957
_cell_length_b   8.957
_cell_length_c   3.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.758
_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
  Sc  Sc0  1  0.667  0.333  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.772  0.042  0.000  1.0
  Co  Co3  1  0.958  0.729  0.000  1.0
  Co  Co4  1  0.271  0.228  0.000  1.0
  Co  Co5  1  0.488  0.546  0.000  1.0
  Co  Co6  1  0.454  0.942  0.000  1.0
  Co  Co7  1  0.058  0.512  0.000  1.0
  Co  Co8  1  0.715  0.611  0.500  1.0
  Co  Co9  1  0.389  0.104  0.500  1.0
  Co  Co10  1  0.896  0.285  0.500  1.0
  Co  Co11  1  0.567  0.799  0.500  1.0
  Co  Co12  1  0.201  0.768  0.500  1.0
  Co  Co13  1  0.232  0.433  0.500  1.0
  P  P14  1  0.743  0.784  0.000  1.0
  P  P15  1  0.216  0.959  0.000  1.0
  P  P16  1  0.041  0.257  0.000  1.0
  P  P17  1  0.449  0.374  0.500  1.0
  P  P18  1  0.626  0.075  0.500  1.0
  P  P19  1  0.925  0.551  0.500  1.0
  P  P20  1  0.333  0.667  0.000  1.0
[/CIF]
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