The material described by BaSr3Yb2(ReO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Yb(2)O6 octahedra,  a faceface with one Re(2)O6 octahedra, faces with three equivalent Yb(1)O6 octahedra, and faces with three equivalent Re(1)O6 octahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Yb(1)O6 octahedra,  a faceface with one Re(1)O6 octahedra, faces with three equivalent Yb(2)O6 octahedra, and faces with three equivalent Re(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Yb(2)O6 octahedra,  a faceface with one Re(1)O6 octahedra, faces with three equivalent Yb(1)O6 octahedra, and faces with three equivalent Re(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Yb(1)O6 octahedra,  a faceface with one Re(2)O6 octahedra, faces with three equivalent Yb(2)O6 octahedra, and faces with three equivalent Re(1)O6 octahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YbO6 octahedra that share corners with three equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Yb site, Yb(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form YbO6 octahedra that share corners with three equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ReO6 octahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with three equivalent Yb(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Re site, Re(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form ReO6 octahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with three equivalent Yb(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Sr(2), one Sr(3), one Yb(1), and one Re(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Yb(2), and one Re(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Sr(1), two equivalent Sr(2), one Yb(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Sr(1), two equivalent Sr(3), one Yb(2), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSr3Yb2(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.207
_cell_length_b   10.207
_cell_length_c   10.207
_cell_angle_alpha   33.530
_cell_angle_beta   33.530
_cell_angle_gamma   33.530
_symmetry_Int_Tables_number   1
_cell_volume   289.025
_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  0.375  0.375  0.375  1.0
  Sr  Sr1  1  0.875  0.875  0.875  1.0
  Sr  Sr2  1  0.125  0.125  0.125  1.0
  Sr  Sr3  1  0.625  0.625  0.625  1.0
  Yb  Yb4  1  0.750  0.750  0.750  1.0
  Yb  Yb5  1  0.250  0.250  0.250  1.0
  Re  Re6  1  1.000  1.000  1.000  1.0
  Re  Re7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.348  0.884  0.884  1.0
  O  O9  1  0.849  0.384  0.384  1.0
  O  O10  1  0.617  0.151  0.617  1.0
  O  O11  1  0.115  0.653  0.115  1.0
  O  O12  1  0.884  0.884  0.348  1.0
  O  O13  1  0.384  0.384  0.849  1.0
  O  O14  1  0.151  0.617  0.617  1.0
  O  O15  1  0.653  0.115  0.115  1.0
  O  O16  1  0.884  0.348  0.884  1.0
  O  O17  1  0.384  0.849  0.384  1.0
  O  O18  1  0.617  0.617  0.151  1.0
  O  O19  1  0.115  0.115  0.653  1.0
[/CIF]
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The material described by BaSr3Yb2(ReO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Yb(2)O6 octahedra,  a faceface with one Re(2)O6 octahedra, faces with three equivalent Yb(1)O6 octahedra, and faces with three equivalent Re(1)O6 octahedra. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(3)O12 cuboctahedra,  a faceface with one Yb(1)O6 octahedra,  a faceface with one Re(1)O6 octahedra, faces with three equivalent Yb(2)O6 octahedra, and faces with three equivalent Re(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Yb(2)O6 octahedra,  a faceface with one Re(1)O6 octahedra, faces with three equivalent Yb(1)O6 octahedra, and faces with three equivalent Re(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Sr(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Yb(1)O6 octahedra,  a faceface with one Re(2)O6 octahedra, faces with three equivalent Yb(2)O6 octahedra, and faces with three equivalent Re(1)O6 octahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form YbO6 octahedra that share corners with three equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Yb site, Yb(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form YbO6 octahedra that share corners with three equivalent Re(1)O6 octahedra, corners with three equivalent Re(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form ReO6 octahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with three equivalent Yb(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Re site, Re(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form ReO6 octahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with three equivalent Yb(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), one Sr(2), one Sr(3), one Yb(1), and one Re(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Yb(2), and one Re(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Sr(1), two equivalent Sr(2), one Yb(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Sr(1), two equivalent Sr(3), one Yb(2), and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSr3Yb2(ReO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.207
_cell_length_b   10.207
_cell_length_c   10.207
_cell_angle_alpha   33.530
_cell_angle_beta   33.530
_cell_angle_gamma   33.530
_symmetry_Int_Tables_number   1
_cell_volume   289.025
_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  0.375  0.375  0.375  1.0
  Sr  Sr1  1  0.875  0.875  0.875  1.0
  Sr  Sr2  1  0.125  0.125  0.125  1.0
  Sr  Sr3  1  0.625  0.625  0.625  1.0
  Yb  Yb4  1  0.750  0.750  0.750  1.0
  Yb  Yb5  1  0.250  0.250  0.250  1.0
  Re  Re6  1  1.000  1.000  1.000  1.0
  Re  Re7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.348  0.884  0.884  1.0
  O  O9  1  0.849  0.384  0.384  1.0
  O  O10  1  0.617  0.151  0.617  1.0
  O  O11  1  0.115  0.653  0.115  1.0
  O  O12  1  0.884  0.884  0.348  1.0
  O  O13  1  0.384  0.384  0.849  1.0
  O  O14  1  0.151  0.617  0.617  1.0
  O  O15  1  0.653  0.115  0.115  1.0
  O  O16  1  0.884  0.348  0.884  1.0
  O  O17  1  0.384  0.849  0.384  1.0
  O  O18  1  0.617  0.617  0.151  1.0
  O  O19  1  0.115  0.115  0.653  1.0
[/CIF]
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