The compound described by Ba6Ca2Ta(RuO6)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(5), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ca(1)O6 octahedra, and faces with three equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(6), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Ca(1)O6 octahedra, and faces with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the third Ba site, Ba(3) is bonded to three equivalent O(3), three equivalent O(6), and six equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ta(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Ca(2)O6 octahedra, and faces with three equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fourth Ba site, Ba(4) is bonded to three equivalent O(4), three equivalent O(5), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ru(3)O6 octahedra, faces with three equivalent Ca(2)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fifth Ba site, Ba(5) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Ca(1)O6 octahedra,  a faceface with one Ca(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. In the sixth Ba site, Ba(6) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ca(1)O6 octahedra,  a faceface with one Ca(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ru(3)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Ca site, Ca(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CaO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. Ta(1) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ca(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form RuO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ca(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ru site, Ru(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ca(2)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Ru site, Ru(3) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ca(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(2), one Ca(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Ca(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(3), one Ba(5), two equivalent Ba(4), one Ca(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(4), one Ba(6), two equivalent Ba(3), one Ca(2), and one Ru(3) atom. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(4), two equivalent Ba(5), one Ru(1), and one Ru(2) atom to form a mixture of distorted face and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the sixth O site, O(6) is bonded to one Ba(2), one Ba(3), two equivalent Ba(6), one Ta(1), and one Ru(3) atom to form a mixture of distorted face and corner-sharing OBa4TaRu octahedra. The corner-sharing octahedral tilt angles range from 7-60°. is represented by the CIF card [CIF]
data_Ba6Ca2Ta(RuO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.006
_cell_length_c   14.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.004
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   465.808
_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
  Ba  Ba0  1  0.333  0.333  0.603  1.0
  Ba  Ba1  1  0.667  0.667  0.404  1.0
  Ba  Ba2  1  0.667  0.667  0.101  1.0
  Ba  Ba3  1  0.333  0.333  0.902  1.0
  Ba  Ba4  1  1.000  0.000  0.750  1.0
  Ba  Ba5  1  0.000  1.000  0.248  1.0
  Ca  Ca6  1  0.000  1.000  0.502  1.0
  Ca  Ca7  1  1.000  0.000  0.000  1.0
  Ta  Ta8  1  0.333  0.333  0.345  1.0
  Ru  Ru9  1  0.667  0.667  0.658  1.0
  Ru  Ru10  1  0.667  0.667  0.844  1.0
  Ru  Ru11  1  0.333  0.333  0.156  1.0
  O  O12  1  0.174  0.653  0.409  1.0
  O  O13  1  0.653  0.174  0.409  1.0
  O  O14  1  0.174  0.174  0.409  1.0
  O  O15  1  0.823  0.355  0.590  1.0
  O  O16  1  0.355  0.823  0.590  1.0
  O  O17  1  0.823  0.823  0.590  1.0
  O  O18  1  0.823  0.353  0.910  1.0
  O  O19  1  0.353  0.823  0.910  1.0
  O  O20  1  0.823  0.823  0.910  1.0
  O  O21  1  0.177  0.646  0.089  1.0
  O  O22  1  0.646  0.177  0.089  1.0
  O  O23  1  0.177  0.177  0.089  1.0
  O  O24  1  0.517  0.967  0.750  1.0
  O  O25  1  0.967  0.517  0.750  1.0
  O  O26  1  0.517  0.517  0.750  1.0
  O  O27  1  0.483  0.033  0.248  1.0
  O  O28  1  0.033  0.483  0.248  1.0
  O  O29  1  0.483  0.483  0.248  1.0
[/CIF]
.
The compound described by Ba6Ca2Ta(RuO6)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(5), and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra, faces with three equivalent Ca(1)O6 octahedra, and faces with three equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(6), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Ca(1)O6 octahedra, and faces with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the third Ba site, Ba(3) is bonded to three equivalent O(3), three equivalent O(6), and six equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ta(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Ca(2)O6 octahedra, and faces with three equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fourth Ba site, Ba(4) is bonded to three equivalent O(4), three equivalent O(5), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ru(3)O6 octahedra, faces with three equivalent Ca(2)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the fifth Ba site, Ba(5) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Ca(1)O6 octahedra,  a faceface with one Ca(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. In the sixth Ba site, Ba(6) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ca(1)O6 octahedra,  a faceface with one Ca(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ru(3)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CaO6 octahedra that share corners with three equivalent Ta(1)O6 octahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Ca site, Ca(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CaO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. Ta(1) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ca(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form RuO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ca(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ru site, Ru(2) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ca(2)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third Ru site, Ru(3) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ca(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(2), one Ca(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Ca(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(3), one Ba(5), two equivalent Ba(4), one Ca(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(4), one Ba(6), two equivalent Ba(3), one Ca(2), and one Ru(3) atom. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(4), two equivalent Ba(5), one Ru(1), and one Ru(2) atom to form a mixture of distorted face and corner-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the sixth O site, O(6) is bonded to one Ba(2), one Ba(3), two equivalent Ba(6), one Ta(1), and one Ru(3) atom to form a mixture of distorted face and corner-sharing OBa4TaRu octahedra. The corner-sharing octahedral tilt angles range from 7-60°. is represented by the CIF card [CIF]
data_Ba6Ca2Ta(RuO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.006
_cell_length_b   6.006
_cell_length_c   14.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.004
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   465.808
_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
  Ba  Ba0  1  0.333  0.333  0.603  1.0
  Ba  Ba1  1  0.667  0.667  0.404  1.0
  Ba  Ba2  1  0.667  0.667  0.101  1.0
  Ba  Ba3  1  0.333  0.333  0.902  1.0
  Ba  Ba4  1  1.000  0.000  0.750  1.0
  Ba  Ba5  1  0.000  1.000  0.248  1.0
  Ca  Ca6  1  0.000  1.000  0.502  1.0
  Ca  Ca7  1  1.000  0.000  0.000  1.0
  Ta  Ta8  1  0.333  0.333  0.345  1.0
  Ru  Ru9  1  0.667  0.667  0.658  1.0
  Ru  Ru10  1  0.667  0.667  0.844  1.0
  Ru  Ru11  1  0.333  0.333  0.156  1.0
  O  O12  1  0.174  0.653  0.409  1.0
  O  O13  1  0.653  0.174  0.409  1.0
  O  O14  1  0.174  0.174  0.409  1.0
  O  O15  1  0.823  0.355  0.590  1.0
  O  O16  1  0.355  0.823  0.590  1.0
  O  O17  1  0.823  0.823  0.590  1.0
  O  O18  1  0.823  0.353  0.910  1.0
  O  O19  1  0.353  0.823  0.910  1.0
  O  O20  1  0.823  0.823  0.910  1.0
  O  O21  1  0.177  0.646  0.089  1.0
  O  O22  1  0.646  0.177  0.089  1.0
  O  O23  1  0.177  0.177  0.089  1.0
  O  O24  1  0.517  0.967  0.750  1.0
  O  O25  1  0.967  0.517  0.750  1.0
  O  O26  1  0.517  0.517  0.750  1.0
  O  O27  1  0.483  0.033  0.248  1.0
  O  O28  1  0.033  0.483  0.248  1.0
  O  O29  1  0.483  0.483  0.248  1.0
[/CIF]
.