The structure described by Ca6Sc(CoO4)3 crystallizes in the trigonal R32 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sc(1) is bonded to six equivalent O(2) atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share  a faceface with one Sc(1)O6 pentagonal pyramid and  a faceface with one Co(2)O6 pentagonal pyramid. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Sc(1), and one Co(1) atom to form distorted OCa4ScCo octahedra that share corners with seven equivalent O(1)Ca4Co2 octahedra, corners with eight equivalent O(2)Ca4ScCo octahedra,  an edgeedge with one O(2)Ca4ScCo octahedra, edges with three equivalent O(1)Ca4Co2 octahedra, faces with two equivalent O(1)Ca4Co2 octahedra, and faces with three equivalent O(2)Ca4ScCo octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the second O site, O(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with seven equivalent O(2)Ca4ScCo octahedra, corners with eight equivalent O(1)Ca4Co2 octahedra,  an edgeedge with one O(1)Ca4Co2 octahedra, edges with three equivalent O(2)Ca4ScCo octahedra, faces with two equivalent O(2)Ca4ScCo octahedra, and faces with three equivalent O(1)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca6Sc(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   6.451
_cell_angle_alpha   92.748
_cell_angle_beta   92.748
_cell_angle_gamma   92.748
_symmetry_Int_Tables_number   1
_cell_volume   267.480
_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  0.135  0.865  0.500  1.0
  Ca  Ca1  1  0.500  0.135  0.865  1.0
  Ca  Ca2  1  0.865  0.500  0.135  1.0
  Ca  Ca3  1  0.000  0.368  0.632  1.0
  Ca  Ca4  1  0.632  0.000  0.368  1.0
  Ca  Ca5  1  0.368  0.632  0.000  1.0
  Sc  Sc6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.749  0.749  0.749  1.0
  Co  Co8  1  0.251  0.251  0.251  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.454  0.788  0.656  1.0
  O  O11  1  0.656  0.454  0.788  1.0
  O  O12  1  0.788  0.656  0.454  1.0
  O  O13  1  0.160  0.293  0.953  1.0
  O  O14  1  0.953  0.160  0.293  1.0
  O  O15  1  0.293  0.953  0.160  1.0
  O  O16  1  0.047  0.707  0.840  1.0
  O  O17  1  0.840  0.047  0.707  1.0
  O  O18  1  0.707  0.840  0.047  1.0
  O  O19  1  0.344  0.212  0.546  1.0
  O  O20  1  0.546  0.344  0.212  1.0
  O  O21  1  0.212  0.546  0.344  1.0
[/CIF]
.
The structure described by Ca6Sc(CoO4)3 crystallizes in the trigonal R32 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Sc(1) is bonded to six equivalent O(2) atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent Co(1)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share  a faceface with one Sc(1)O6 pentagonal pyramid and  a faceface with one Co(2)O6 pentagonal pyramid. In the second Co site, Co(2) is bonded to six equivalent O(1) atoms to form distorted face-sharing CoO6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Sc(1), and one Co(1) atom to form distorted OCa4ScCo octahedra that share corners with seven equivalent O(1)Ca4Co2 octahedra, corners with eight equivalent O(2)Ca4ScCo octahedra,  an edgeedge with one O(2)Ca4ScCo octahedra, edges with three equivalent O(1)Ca4Co2 octahedra, faces with two equivalent O(1)Ca4Co2 octahedra, and faces with three equivalent O(2)Ca4ScCo octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the second O site, O(1) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Co(1), and one Co(2) atom to form distorted OCa4Co2 octahedra that share corners with seven equivalent O(2)Ca4ScCo octahedra, corners with eight equivalent O(1)Ca4Co2 octahedra,  an edgeedge with one O(1)Ca4Co2 octahedra, edges with three equivalent O(2)Ca4ScCo octahedra, faces with two equivalent O(2)Ca4ScCo octahedra, and faces with three equivalent O(1)Ca4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca6Sc(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   6.451
_cell_angle_alpha   92.748
_cell_angle_beta   92.748
_cell_angle_gamma   92.748
_symmetry_Int_Tables_number   1
_cell_volume   267.480
_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  0.135  0.865  0.500  1.0
  Ca  Ca1  1  0.500  0.135  0.865  1.0
  Ca  Ca2  1  0.865  0.500  0.135  1.0
  Ca  Ca3  1  0.000  0.368  0.632  1.0
  Ca  Ca4  1  0.632  0.000  0.368  1.0
  Ca  Ca5  1  0.368  0.632  0.000  1.0
  Sc  Sc6  1  0.000  0.000  0.000  1.0
  Co  Co7  1  0.749  0.749  0.749  1.0
  Co  Co8  1  0.251  0.251  0.251  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.454  0.788  0.656  1.0
  O  O11  1  0.656  0.454  0.788  1.0
  O  O12  1  0.788  0.656  0.454  1.0
  O  O13  1  0.160  0.293  0.953  1.0
  O  O14  1  0.953  0.160  0.293  1.0
  O  O15  1  0.293  0.953  0.160  1.0
  O  O16  1  0.047  0.707  0.840  1.0
  O  O17  1  0.840  0.047  0.707  1.0
  O  O18  1  0.707  0.840  0.047  1.0
  O  O19  1  0.344  0.212  0.546  1.0
  O  O20  1  0.546  0.344  0.212  1.0
  O  O21  1  0.212  0.546  0.344  1.0
[/CIF]
.