The compound described by Ba3SrEr2(MoO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(11), and two equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Er(2)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Er(1)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(12), two equivalent O(2), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Er(1)O6 octahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent Er(2)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Er(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Er(2)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. Sr(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Er(2)O6 octahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent Er(1)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form ErO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Er site, Er(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form ErO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Er(1)O6 octahedra, corners with three equivalent Er(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Mo site, Mo(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Er(1)O6 octahedra, corners with three equivalent Er(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(3), two equivalent Ba(1), one Sr(1), one Er(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(3), two equivalent Ba(2), one Sr(1), one Er(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Er(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), two equivalent Sr(1), one Er(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Er(2), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Sr(1), one Er(1), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(1), one Er(1), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(2), one Sr(1), one Er(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Er(2), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Sr(1), one Er(1), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(1), one Er(1), and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(2), one Sr(1), one Er(2), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Ba3SrEr2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.954
_cell_length_c   10.316
_cell_angle_alpha   73.973
_cell_angle_beta   74.007
_cell_angle_gamma   60.681
_symmetry_Int_Tables_number   1
_cell_volume   301.707
_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  0.876  1.0
  Ba  Ba1  1  0.875  0.875  0.374  1.0
  Ba  Ba2  1  0.125  0.124  0.625  1.0
  Sr  Sr3  1  0.625  0.626  0.125  1.0
  Er  Er4  1  1.000  0.999  0.001  1.0
  Er  Er5  1  0.500  0.501  0.499  1.0
  Mo  Mo6  1  0.749  0.750  0.751  1.0
  Mo  Mo7  1  0.251  0.250  0.249  1.0
  O  O8  1  0.864  0.865  0.870  1.0
  O  O9  1  0.367  0.368  0.365  1.0
  O  O10  1  0.635  0.633  0.633  1.0
  O  O11  1  0.134  0.134  0.133  1.0
  O  O12  1  0.657  0.099  0.621  1.0
  O  O13  1  0.163  0.600  0.121  1.0
  O  O14  1  0.840  0.403  0.883  1.0
  O  O15  1  0.343  0.899  0.378  1.0
  O  O16  1  0.117  0.602  0.639  1.0
  O  O17  1  0.618  0.097  0.139  1.0
  O  O18  1  0.382  0.897  0.862  1.0
  O  O19  1  0.879  0.401  0.357  1.0
[/CIF]
.
The compound described by Ba3SrEr2(MoO6)2 is (Cubic) Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(11), and two equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Er(2)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Er(1)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(12), two equivalent O(2), and two equivalent O(8) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra,  a faceface with one Er(1)O6 octahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent Er(2)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Er(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Er(2)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. Sr(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with six equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Er(2)O6 octahedra,  a faceface with one Mo(1)O6 octahedra, faces with three equivalent Er(1)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form ErO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Er site, Er(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form ErO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Er(1)O6 octahedra, corners with three equivalent Er(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the second Mo site, Mo(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Er(1)O6 octahedra, corners with three equivalent Er(2)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with three equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(3), two equivalent Ba(1), one Sr(1), one Er(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(3), two equivalent Ba(2), one Sr(1), one Er(2), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Er(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Ba(2), two equivalent Sr(1), one Er(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Er(2), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Sr(1), one Er(1), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(1), one Er(1), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(2), one Sr(1), one Er(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Er(2), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Sr(1), one Er(1), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(1), one Er(1), and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(2), one Sr(1), one Er(2), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Ba3SrEr2(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.946
_cell_length_b   5.954
_cell_length_c   10.316
_cell_angle_alpha   73.973
_cell_angle_beta   74.007
_cell_angle_gamma   60.681
_symmetry_Int_Tables_number   1
_cell_volume   301.707
_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  0.876  1.0
  Ba  Ba1  1  0.875  0.875  0.374  1.0
  Ba  Ba2  1  0.125  0.124  0.625  1.0
  Sr  Sr3  1  0.625  0.626  0.125  1.0
  Er  Er4  1  1.000  0.999  0.001  1.0
  Er  Er5  1  0.500  0.501  0.499  1.0
  Mo  Mo6  1  0.749  0.750  0.751  1.0
  Mo  Mo7  1  0.251  0.250  0.249  1.0
  O  O8  1  0.864  0.865  0.870  1.0
  O  O9  1  0.367  0.368  0.365  1.0
  O  O10  1  0.635  0.633  0.633  1.0
  O  O11  1  0.134  0.134  0.133  1.0
  O  O12  1  0.657  0.099  0.621  1.0
  O  O13  1  0.163  0.600  0.121  1.0
  O  O14  1  0.840  0.403  0.883  1.0
  O  O15  1  0.343  0.899  0.378  1.0
  O  O16  1  0.117  0.602  0.639  1.0
  O  O17  1  0.618  0.097  0.139  1.0
  O  O18  1  0.382  0.897  0.862  1.0
  O  O19  1  0.879  0.401  0.357  1.0
[/CIF]
.