The material described by Ba2SrYb6O12 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(7), one O(8), one O(9), two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(7), one O(8), one O(9), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SrO6 pentagonal pyramids that share corners with two equivalent Yb(4)O6 octahedra, corners with two equivalent Yb(5)O6 octahedra, corners with two equivalent Yb(6)O6 octahedra,  an edgeedge with one Yb(4)O6 octahedra,  an edgeedge with one Yb(5)O6 octahedra,  an edgeedge with one Yb(6)O6 octahedra, and faces with two equivalent Sr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 11-12°. There are six inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(8), two equivalent O(12), and two equivalent O(6) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(9), two equivalent O(10), and two equivalent O(4) atoms. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms. In the fourth Yb site, Yb(4) is bonded to one O(11), one O(6), two equivalent O(3), and two equivalent O(9) atoms to form YbO6 octahedra that share corners with two equivalent Sr(1)O6 pentagonal pyramids, edges with two equivalent Yb(4)O6 octahedra, and  an edgeedge with one Sr(1)O6 pentagonal pyramid. In the fifth Yb site, Yb(5) is bonded to one O(12), one O(4), two equivalent O(1), and two equivalent O(7) atoms to form YbO6 octahedra that share corners with two equivalent Sr(1)O6 pentagonal pyramids, edges with two equivalent Yb(5)O6 octahedra, and  an edgeedge with one Sr(1)O6 pentagonal pyramid. In the sixth Yb site, Yb(6) is bonded to one O(10), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form YbO6 octahedra that share corners with two equivalent Sr(1)O6 pentagonal pyramids, edges with two equivalent Yb(6)O6 octahedra, and  an edgeedge with one Sr(1)O6 pentagonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Yb(1), one Yb(2), and two equivalent Yb(5) atoms to form distorted OSr2Yb4 octahedra that share corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(6)Ba2Yb3 square pyramids,  a cornercorner with one O(8)Ba2Yb3 trigonal bipyramid,  a cornercorner with one O(9)Ba2Yb3 trigonal bipyramid, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(1)Sr2Yb4 octahedra, edges with two equivalent O(4)Ba2Yb3 square pyramids,  an edgeedge with one O(7)Ba2Yb3 trigonal bipyramid,  a faceface with one O(2)Sr2Yb4 octahedra, and  a faceface with one O(3)Sr2Yb4 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Yb(2), one Yb(3), and two equivalent Yb(6) atoms to form distorted OSr2Yb4 octahedra that share corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids,  a cornercorner with one O(7)Ba2Yb3 trigonal bipyramid,  a cornercorner with one O(9)Ba2Yb3 trigonal bipyramid, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(2)Sr2Yb4 octahedra, edges with two equivalent O(5)Ba2Yb3 square pyramids,  an edgeedge with one O(8)Ba2Yb3 trigonal bipyramid,  a faceface with one O(1)Sr2Yb4 octahedra, and  a faceface with one O(3)Sr2Yb4 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Yb(1), one Yb(3), and two equivalent Yb(4) atoms to form distorted OSr2Yb4 octahedra that share corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(5)Ba2Yb3 square pyramids,  a cornercorner with one O(7)Ba2Yb3 trigonal bipyramid,  a cornercorner with one O(8)Ba2Yb3 trigonal bipyramid, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(3)Sr2Yb4 octahedra, edges with two equivalent O(6)Ba2Yb3 square pyramids,  an edgeedge with one O(9)Ba2Yb3 trigonal bipyramid,  a faceface with one O(1)Sr2Yb4 octahedra, and  a faceface with one O(2)Sr2Yb4 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the fourth O site, O(4) is bonded to two equivalent Ba(2), one Yb(5), and two equivalent Yb(2) atoms to form distorted OBa2Yb3 square pyramids that share corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(5)Ba2Yb3 square pyramids, corners with two equivalent O(6)Ba2Yb3 square pyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(1)Sr2Yb4 octahedra,  an edgeedge with one O(5)Ba2Yb3 square pyramid,  an edgeedge with one O(6)Ba2Yb3 square pyramid, edges with two equivalent O(4)Ba2Yb3 square pyramids, edges with two equivalent O(7)Ba2Yb3 trigonal bipyramids, and edges with two equivalent O(9)Ba2Yb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the fifth O site, O(5) is bonded to two equivalent Ba(2), one Yb(6), and two equivalent Yb(3) atoms to form distorted OBa2Yb3 square pyramids that share corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids, corners with two equivalent O(6)Ba2Yb3 square pyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(2)Sr2Yb4 octahedra,  an edgeedge with one O(4)Ba2Yb3 square pyramid,  an edgeedge with one O(6)Ba2Yb3 square pyramid, edges with two equivalent O(5)Ba2Yb3 square pyramids, edges with two equivalent O(7)Ba2Yb3 trigonal bipyramids, and edges with two equivalent O(8)Ba2Yb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the sixth O site, O(6) is bonded to two equivalent Ba(2), one Yb(4), and two equivalent Yb(1) atoms to form distorted OBa2Yb3 square pyramids that share corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids, corners with two equivalent O(5)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(3)Sr2Yb4 octahedra,  an edgeedge with one O(4)Ba2Yb3 square pyramid,  an edgeedge with one O(5)Ba2Yb3 square pyramid, edges with two equivalent O(6)Ba2Yb3 square pyramids, edges with two equivalent O(8)Ba2Yb3 trigonal bipyramids, and edges with two equivalent O(9)Ba2Yb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), one Yb(3), and two equivalent Yb(5) atoms to form distorted OBa2Yb3 trigonal bipyramids that share  a cornercorner with one O(2)Sr2Yb4 octahedra,  a cornercorner with one O(3)Sr2Yb4 octahedra, corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(6)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids,  an edgeedge with one O(1)Sr2Yb4 octahedra, edges with two equivalent O(4)Ba2Yb3 square pyramids, and edges with two equivalent O(5)Ba2Yb3 square pyramids. The corner-sharing octahedral tilt angles range from 5-35°. In the eighth O site, O(8) is bonded to one Ba(1), one Ba(2), one Yb(1), and two equivalent Yb(6) atoms to form distorted OBa2Yb3 trigonal bipyramids that share  a cornercorner with one O(1)Sr2Yb4 octahedra,  a cornercorner with one O(3)Sr2Yb4 octahedra, corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids,  an edgeedge with one O(2)Sr2Yb4 octahedra, edges with two equivalent O(5)Ba2Yb3 square pyramids, and edges with two equivalent O(6)Ba2Yb3 square pyramids. The corner-sharing octahedral tilt angles range from 5-35°. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one Yb(2), and two equivalent Yb(4) atoms to form distorted OBa2Yb3 trigonal bipyramids that share  a cornercorner with one O(1)Sr2Yb4 octahedra,  a cornercorner with one O(2)Sr2Yb4 octahedra, corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(5)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids,  an edgeedge with one O(3)Sr2Yb4 octahedra, edges with two equivalent O(4)Ba2Yb3 square pyramids, and edges with two equivalent O(6)Ba2Yb3 square pyramids. The corner-sharing octahedral tilt angles range from 5-34°. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(6), and two equivalent Yb(2) atoms. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(4), and two equivalent Yb(3) atoms. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(5), and two equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_Ba2SrYb6O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.555
_cell_length_b   10.223
_cell_length_c   10.244
_cell_angle_alpha   59.754
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.572
_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  0.750  1.000  0.000  1.0
  Ba  Ba1  1  0.750  0.667  0.667  1.0
  Sr  Sr2  1  0.250  0.334  0.333  1.0
  Yb  Yb3  1  0.750  0.333  0.642  1.0
  Yb  Yb4  1  0.750  0.025  0.334  1.0
  Yb  Yb5  1  0.750  0.642  0.025  1.0
  Yb  Yb6  1  0.250  0.660  0.341  1.0
  Yb  Yb7  1  0.250  0.999  0.659  1.0
  Yb  Yb8  1  0.250  0.341  0.999  1.0
  O  O9  1  0.750  0.145  0.490  1.0
  O  O10  1  0.750  0.365  0.144  1.0
  O  O11  1  0.750  0.491  0.366  1.0
  O  O12  1  0.250  0.899  0.503  1.0
  O  O13  1  0.250  0.598  0.899  1.0
  O  O14  1  0.250  0.503  0.598  1.0
  O  O15  1  0.750  0.861  0.803  1.0
  O  O16  1  0.750  0.334  0.862  1.0
  O  O17  1  0.750  0.804  0.334  1.0
  O  O18  1  0.250  0.091  0.158  1.0
  O  O19  1  0.250  0.750  0.092  1.0
  O  O20  1  0.250  0.158  0.751  1.0
[/CIF]
.
The material described by Ba2SrYb6O12 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(7), one O(8), one O(9), two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(7), one O(8), one O(9), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SrO6 pentagonal pyramids that share corners with two equivalent Yb(4)O6 octahedra, corners with two equivalent Yb(5)O6 octahedra, corners with two equivalent Yb(6)O6 octahedra,  an edgeedge with one Yb(4)O6 octahedra,  an edgeedge with one Yb(5)O6 octahedra,  an edgeedge with one Yb(6)O6 octahedra, and faces with two equivalent Sr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 11-12°. There are six inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(8), two equivalent O(12), and two equivalent O(6) atoms. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(9), two equivalent O(10), and two equivalent O(4) atoms. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms. In the fourth Yb site, Yb(4) is bonded to one O(11), one O(6), two equivalent O(3), and two equivalent O(9) atoms to form YbO6 octahedra that share corners with two equivalent Sr(1)O6 pentagonal pyramids, edges with two equivalent Yb(4)O6 octahedra, and  an edgeedge with one Sr(1)O6 pentagonal pyramid. In the fifth Yb site, Yb(5) is bonded to one O(12), one O(4), two equivalent O(1), and two equivalent O(7) atoms to form YbO6 octahedra that share corners with two equivalent Sr(1)O6 pentagonal pyramids, edges with two equivalent Yb(5)O6 octahedra, and  an edgeedge with one Sr(1)O6 pentagonal pyramid. In the sixth Yb site, Yb(6) is bonded to one O(10), one O(5), two equivalent O(2), and two equivalent O(8) atoms to form YbO6 octahedra that share corners with two equivalent Sr(1)O6 pentagonal pyramids, edges with two equivalent Yb(6)O6 octahedra, and  an edgeedge with one Sr(1)O6 pentagonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), one Yb(1), one Yb(2), and two equivalent Yb(5) atoms to form distorted OSr2Yb4 octahedra that share corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(6)Ba2Yb3 square pyramids,  a cornercorner with one O(8)Ba2Yb3 trigonal bipyramid,  a cornercorner with one O(9)Ba2Yb3 trigonal bipyramid, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(1)Sr2Yb4 octahedra, edges with two equivalent O(4)Ba2Yb3 square pyramids,  an edgeedge with one O(7)Ba2Yb3 trigonal bipyramid,  a faceface with one O(2)Sr2Yb4 octahedra, and  a faceface with one O(3)Sr2Yb4 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Yb(2), one Yb(3), and two equivalent Yb(6) atoms to form distorted OSr2Yb4 octahedra that share corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids,  a cornercorner with one O(7)Ba2Yb3 trigonal bipyramid,  a cornercorner with one O(9)Ba2Yb3 trigonal bipyramid, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(2)Sr2Yb4 octahedra, edges with two equivalent O(5)Ba2Yb3 square pyramids,  an edgeedge with one O(8)Ba2Yb3 trigonal bipyramid,  a faceface with one O(1)Sr2Yb4 octahedra, and  a faceface with one O(3)Sr2Yb4 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the third O site, O(3) is bonded to two equivalent Sr(1), one Yb(1), one Yb(3), and two equivalent Yb(4) atoms to form distorted OSr2Yb4 octahedra that share corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(5)Ba2Yb3 square pyramids,  a cornercorner with one O(7)Ba2Yb3 trigonal bipyramid,  a cornercorner with one O(8)Ba2Yb3 trigonal bipyramid, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(3)Sr2Yb4 octahedra, edges with two equivalent O(6)Ba2Yb3 square pyramids,  an edgeedge with one O(9)Ba2Yb3 trigonal bipyramid,  a faceface with one O(1)Sr2Yb4 octahedra, and  a faceface with one O(2)Sr2Yb4 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the fourth O site, O(4) is bonded to two equivalent Ba(2), one Yb(5), and two equivalent Yb(2) atoms to form distorted OBa2Yb3 square pyramids that share corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(5)Ba2Yb3 square pyramids, corners with two equivalent O(6)Ba2Yb3 square pyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(1)Sr2Yb4 octahedra,  an edgeedge with one O(5)Ba2Yb3 square pyramid,  an edgeedge with one O(6)Ba2Yb3 square pyramid, edges with two equivalent O(4)Ba2Yb3 square pyramids, edges with two equivalent O(7)Ba2Yb3 trigonal bipyramids, and edges with two equivalent O(9)Ba2Yb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the fifth O site, O(5) is bonded to two equivalent Ba(2), one Yb(6), and two equivalent Yb(3) atoms to form distorted OBa2Yb3 square pyramids that share corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids, corners with two equivalent O(6)Ba2Yb3 square pyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(2)Sr2Yb4 octahedra,  an edgeedge with one O(4)Ba2Yb3 square pyramid,  an edgeedge with one O(6)Ba2Yb3 square pyramid, edges with two equivalent O(5)Ba2Yb3 square pyramids, edges with two equivalent O(7)Ba2Yb3 trigonal bipyramids, and edges with two equivalent O(8)Ba2Yb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the sixth O site, O(6) is bonded to two equivalent Ba(2), one Yb(4), and two equivalent Yb(1) atoms to form distorted OBa2Yb3 square pyramids that share corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids, corners with two equivalent O(5)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, edges with two equivalent O(3)Sr2Yb4 octahedra,  an edgeedge with one O(4)Ba2Yb3 square pyramid,  an edgeedge with one O(5)Ba2Yb3 square pyramid, edges with two equivalent O(6)Ba2Yb3 square pyramids, edges with two equivalent O(8)Ba2Yb3 trigonal bipyramids, and edges with two equivalent O(9)Ba2Yb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), one Yb(3), and two equivalent Yb(5) atoms to form distorted OBa2Yb3 trigonal bipyramids that share  a cornercorner with one O(2)Sr2Yb4 octahedra,  a cornercorner with one O(3)Sr2Yb4 octahedra, corners with two equivalent O(1)Sr2Yb4 octahedra, corners with two equivalent O(6)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids,  an edgeedge with one O(1)Sr2Yb4 octahedra, edges with two equivalent O(4)Ba2Yb3 square pyramids, and edges with two equivalent O(5)Ba2Yb3 square pyramids. The corner-sharing octahedral tilt angles range from 5-35°. In the eighth O site, O(8) is bonded to one Ba(1), one Ba(2), one Yb(1), and two equivalent Yb(6) atoms to form distorted OBa2Yb3 trigonal bipyramids that share  a cornercorner with one O(1)Sr2Yb4 octahedra,  a cornercorner with one O(3)Sr2Yb4 octahedra, corners with two equivalent O(2)Sr2Yb4 octahedra, corners with two equivalent O(4)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids,  an edgeedge with one O(2)Sr2Yb4 octahedra, edges with two equivalent O(5)Ba2Yb3 square pyramids, and edges with two equivalent O(6)Ba2Yb3 square pyramids. The corner-sharing octahedral tilt angles range from 5-35°. In the ninth O site, O(9) is bonded to one Ba(1), one Ba(2), one Yb(2), and two equivalent Yb(4) atoms to form distorted OBa2Yb3 trigonal bipyramids that share  a cornercorner with one O(1)Sr2Yb4 octahedra,  a cornercorner with one O(2)Sr2Yb4 octahedra, corners with two equivalent O(3)Sr2Yb4 octahedra, corners with two equivalent O(5)Ba2Yb3 square pyramids, corners with two equivalent O(7)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(8)Ba2Yb3 trigonal bipyramids, corners with two equivalent O(9)Ba2Yb3 trigonal bipyramids,  an edgeedge with one O(3)Sr2Yb4 octahedra, edges with two equivalent O(4)Ba2Yb3 square pyramids, and edges with two equivalent O(6)Ba2Yb3 square pyramids. The corner-sharing octahedral tilt angles range from 5-34°. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(6), and two equivalent Yb(2) atoms. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(4), and two equivalent Yb(3) atoms. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(5), and two equivalent Yb(1) atoms. is represented by the CIF file [CIF]
data_Ba2SrYb6O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.555
_cell_length_b   10.223
_cell_length_c   10.244
_cell_angle_alpha   59.754
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.572
_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  0.750  1.000  0.000  1.0
  Ba  Ba1  1  0.750  0.667  0.667  1.0
  Sr  Sr2  1  0.250  0.334  0.333  1.0
  Yb  Yb3  1  0.750  0.333  0.642  1.0
  Yb  Yb4  1  0.750  0.025  0.334  1.0
  Yb  Yb5  1  0.750  0.642  0.025  1.0
  Yb  Yb6  1  0.250  0.660  0.341  1.0
  Yb  Yb7  1  0.250  0.999  0.659  1.0
  Yb  Yb8  1  0.250  0.341  0.999  1.0
  O  O9  1  0.750  0.145  0.490  1.0
  O  O10  1  0.750  0.365  0.144  1.0
  O  O11  1  0.750  0.491  0.366  1.0
  O  O12  1  0.250  0.899  0.503  1.0
  O  O13  1  0.250  0.598  0.899  1.0
  O  O14  1  0.250  0.503  0.598  1.0
  O  O15  1  0.750  0.861  0.803  1.0
  O  O16  1  0.750  0.334  0.862  1.0
  O  O17  1  0.750  0.804  0.334  1.0
  O  O18  1  0.250  0.091  0.158  1.0
  O  O19  1  0.250  0.750  0.092  1.0
  O  O20  1  0.250  0.158  0.751  1.0
[/CIF]
.