The structure described by Ba2MgSmMoO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent Sm(1)O6 octahedra and  an edgeedge with one Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-74°. Sm(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SmO6 octahedra that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Mg(1)O4 trigonal pyramid. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Sm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sm(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2SmMgMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   6.140
_cell_length_c   6.834
_cell_angle_alpha   117.208
_cell_angle_beta   125.488
_cell_angle_gamma   89.203
_symmetry_Int_Tables_number   1
_cell_volume   180.853
_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  0.792  0.221  0.386  1.0
  Ba  Ba1  1  0.271  0.794  0.520  1.0
  Sm  Sm2  1  0.009  0.002  0.984  1.0
  Mg  Mg3  1  0.725  0.454  0.822  1.0
  Mo  Mo4  1  0.464  0.513  0.029  1.0
  O  O5  1  0.312  0.251  0.529  1.0
  O  O6  1  0.683  0.758  0.484  1.0
  O  O7  1  0.293  0.178  0.970  1.0
  O  O8  1  0.681  0.780  0.002  1.0
  O  O9  1  0.803  0.338  0.072  1.0
  O  O10  1  0.095  0.618  0.943  1.0
[/CIF]
.
The structure described by Ba2MgSmMoO6 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form distorted MgO4 trigonal pyramids that share corners with two equivalent Sm(1)O6 octahedra and  an edgeedge with one Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-74°. Sm(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SmO6 octahedra that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Mg(1)O4 trigonal pyramid. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Sm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sm(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Sm(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2SmMgMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   6.140
_cell_length_c   6.834
_cell_angle_alpha   117.208
_cell_angle_beta   125.488
_cell_angle_gamma   89.203
_symmetry_Int_Tables_number   1
_cell_volume   180.853
_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  0.792  0.221  0.386  1.0
  Ba  Ba1  1  0.271  0.794  0.520  1.0
  Sm  Sm2  1  0.009  0.002  0.984  1.0
  Mg  Mg3  1  0.725  0.454  0.822  1.0
  Mo  Mo4  1  0.464  0.513  0.029  1.0
  O  O5  1  0.312  0.251  0.529  1.0
  O  O6  1  0.683  0.758  0.484  1.0
  O  O7  1  0.293  0.178  0.970  1.0
  O  O8  1  0.681  0.780  0.002  1.0
  O  O9  1  0.803  0.338  0.072  1.0
  O  O10  1  0.095  0.618  0.943  1.0
[/CIF]
.