The material structure described by BaEuSmWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Eu(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SmO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the second Sm site, Sm(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SmO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Eu(1), one Sm(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Eu(1), one Sm(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Eu(1), one Sm(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Eu(1), one Sm(2), and one W(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Eu(1), one Sm(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Eu(1), one Sm(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSmEuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   6.056
_cell_length_c   8.445
_cell_angle_alpha   89.871
_cell_angle_beta   90.374
_cell_angle_gamma   89.813
_symmetry_Int_Tables_number   1
_cell_volume   305.804
_cell_formula_units_Z   2
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  0.990  0.039  0.248  1.0
  Ba  Ba1  1  0.010  0.961  0.752  1.0
  Sm  Sm2  1  0.000  0.500  0.000  1.0
  Sm  Sm3  1  0.500  0.000  0.500  1.0
  Eu  Eu4  1  0.511  0.546  0.245  1.0
  Eu  Eu5  1  0.489  0.454  0.755  1.0
  W  W6  1  0.500  0.000  0.000  1.0
  W  W7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.232  0.203  0.963  1.0
  O  O9  1  0.275  0.691  0.545  1.0
  O  O10  1  0.768  0.797  0.037  1.0
  O  O11  1  0.725  0.309  0.455  1.0
  O  O12  1  0.314  0.720  0.955  1.0
  O  O13  1  0.200  0.237  0.546  1.0
  O  O14  1  0.686  0.280  0.045  1.0
  O  O15  1  0.800  0.763  0.454  1.0
  O  O16  1  0.434  0.972  0.228  1.0
  O  O17  1  0.093  0.497  0.269  1.0
  O  O18  1  0.566  0.028  0.772  1.0
  O  O19  1  0.907  0.503  0.731  1.0
[/CIF]
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The material structure described by BaEuSmWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Eu(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SmO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-30°. In the second Sm site, Sm(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SmO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form WO6 octahedra that share corners with two equivalent Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the second W site, W(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Eu(1), one Sm(1), and one W(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Eu(1), one Sm(2), and one W(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Eu(1), one Sm(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Eu(1), one Sm(2), and one W(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Eu(1), one Sm(2), and one W(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Eu(1), one Sm(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSmEuWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   6.056
_cell_length_c   8.445
_cell_angle_alpha   89.871
_cell_angle_beta   90.374
_cell_angle_gamma   89.813
_symmetry_Int_Tables_number   1
_cell_volume   305.804
_cell_formula_units_Z   2
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  0.990  0.039  0.248  1.0
  Ba  Ba1  1  0.010  0.961  0.752  1.0
  Sm  Sm2  1  0.000  0.500  0.000  1.0
  Sm  Sm3  1  0.500  0.000  0.500  1.0
  Eu  Eu4  1  0.511  0.546  0.245  1.0
  Eu  Eu5  1  0.489  0.454  0.755  1.0
  W  W6  1  0.500  0.000  0.000  1.0
  W  W7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.232  0.203  0.963  1.0
  O  O9  1  0.275  0.691  0.545  1.0
  O  O10  1  0.768  0.797  0.037  1.0
  O  O11  1  0.725  0.309  0.455  1.0
  O  O12  1  0.314  0.720  0.955  1.0
  O  O13  1  0.200  0.237  0.546  1.0
  O  O14  1  0.686  0.280  0.045  1.0
  O  O15  1  0.800  0.763  0.454  1.0
  O  O16  1  0.434  0.972  0.228  1.0
  O  O17  1  0.093  0.497  0.269  1.0
  O  O18  1  0.566  0.028  0.772  1.0
  O  O19  1  0.907  0.503  0.731  1.0
[/CIF]
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