The material structure described by BaEuInBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the second In site, In(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form InO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent In(2)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. 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 In(1), and one Bi(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 In(2), and one Bi(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 In(1), and one Bi(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 In(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Eu(1), one In(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Eu(1), one In(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_BaEuInBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.055
_cell_length_c   8.543
_cell_angle_alpha   89.977
_cell_angle_beta   90.036
_cell_angle_gamma   89.630
_symmetry_Int_Tables_number   1
_cell_volume   313.293
_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  0.993  0.025  0.250  1.0
  Ba  Ba1  1  0.007  0.975  0.750  1.0
  Eu  Eu2  1  0.505  0.532  0.250  1.0
  Eu  Eu3  1  0.495  0.468  0.750  1.0
  In  In4  1  0.500  0.000  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.225  0.224  0.961  1.0
  O  O9  1  0.299  0.704  0.540  1.0
  O  O10  1  0.775  0.776  0.039  1.0
  O  O11  1  0.701  0.296  0.460  1.0
  O  O12  1  0.295  0.701  0.959  1.0
  O  O13  1  0.225  0.225  0.539  1.0
  O  O14  1  0.705  0.299  0.041  1.0
  O  O15  1  0.775  0.775  0.461  1.0
  O  O16  1  0.440  0.975  0.251  1.0
  O  O17  1  0.089  0.494  0.250  1.0
  O  O18  1  0.560  0.025  0.749  1.0
  O  O19  1  0.911  0.506  0.750  1.0
[/CIF]
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The material structure described by BaEuInBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 In sites. In the first In site, In(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form InO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the second In site, In(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form InO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent In(2)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. 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 In(1), and one Bi(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 In(2), and one Bi(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 In(1), and one Bi(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 In(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Eu(1), one In(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Eu(1), one In(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_BaEuInBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.057
_cell_length_b   6.055
_cell_length_c   8.543
_cell_angle_alpha   89.977
_cell_angle_beta   90.036
_cell_angle_gamma   89.630
_symmetry_Int_Tables_number   1
_cell_volume   313.293
_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  0.993  0.025  0.250  1.0
  Ba  Ba1  1  0.007  0.975  0.750  1.0
  Eu  Eu2  1  0.505  0.532  0.250  1.0
  Eu  Eu3  1  0.495  0.468  0.750  1.0
  In  In4  1  0.500  0.000  0.000  1.0
  In  In5  1  0.000  0.500  0.500  1.0
  Bi  Bi6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.225  0.224  0.961  1.0
  O  O9  1  0.299  0.704  0.540  1.0
  O  O10  1  0.775  0.776  0.039  1.0
  O  O11  1  0.701  0.296  0.460  1.0
  O  O12  1  0.295  0.701  0.959  1.0
  O  O13  1  0.225  0.225  0.539  1.0
  O  O14  1  0.705  0.299  0.041  1.0
  O  O15  1  0.775  0.775  0.461  1.0
  O  O16  1  0.440  0.975  0.251  1.0
  O  O17  1  0.089  0.494  0.250  1.0
  O  O18  1  0.560  0.025  0.749  1.0
  O  O19  1  0.911  0.506  0.750  1.0
[/CIF]
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