The material described by BaSrEuSeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SrO6 octahedra that share corners with two equivalent Se(2)O6 octahedra and corners with four equivalent Se(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Sr site, Sr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SrO6 octahedra that share corners with two equivalent Se(1)O6 octahedra and corners with four equivalent Se(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-29°. 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 Se sites. In the first Se site, Se(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SeO6 octahedra that share corners with two equivalent Sr(2)O6 octahedra and corners with four equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the second Se site, Se(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SeO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra and corners with four equivalent Sr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. 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 Sr(1), one Eu(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(2), two equivalent Eu(1), and one Se(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), two equivalent Eu(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(2), one Eu(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Eu(1), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Sr(2), one Eu(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrEuSeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.954
_cell_length_c   8.370
_cell_angle_alpha   91.161
_cell_angle_beta   89.150
_cell_angle_gamma   89.646
_symmetry_Int_Tables_number   1
_cell_volume   294.285
_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  0.996  0.025  0.251  1.0
  Ba  Ba1  1  0.004  0.975  0.749  1.0
  Sr  Sr2  1  0.500  0.000  0.000  1.0
  Sr  Sr3  1  0.000  0.500  0.500  1.0
  Eu  Eu4  1  0.510  0.544  0.253  1.0
  Eu  Eu5  1  0.490  0.456  0.747  1.0
  Se  Se6  1  0.000  0.500  0.000  1.0
  Se  Se7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.190  0.257  0.958  1.0
  O  O9  1  0.326  0.743  0.541  1.0
  O  O10  1  0.810  0.743  0.042  1.0
  O  O11  1  0.674  0.257  0.459  1.0
  O  O12  1  0.244  0.685  0.952  1.0
  O  O13  1  0.252  0.188  0.526  1.0
  O  O14  1  0.756  0.315  0.048  1.0
  O  O15  1  0.748  0.812  0.474  1.0
  O  O16  1  0.447  0.959  0.284  1.0
  O  O17  1  0.090  0.502  0.214  1.0
  O  O18  1  0.553  0.041  0.716  1.0
  O  O19  1  0.910  0.498  0.786  1.0
[/CIF]
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The material described by BaSrEuSeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SrO6 octahedra that share corners with two equivalent Se(2)O6 octahedra and corners with four equivalent Se(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Sr site, Sr(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SrO6 octahedra that share corners with two equivalent Se(1)O6 octahedra and corners with four equivalent Se(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-29°. 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 Se sites. In the first Se site, Se(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SeO6 octahedra that share corners with two equivalent Sr(2)O6 octahedra and corners with four equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the second Se site, Se(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SeO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra and corners with four equivalent Sr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-27°. 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 Sr(1), one Eu(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(2), two equivalent Eu(1), and one Se(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), two equivalent Eu(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(2), one Eu(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Eu(1), and one Se(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Sr(2), one Eu(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSrEuSeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.954
_cell_length_c   8.370
_cell_angle_alpha   91.161
_cell_angle_beta   89.150
_cell_angle_gamma   89.646
_symmetry_Int_Tables_number   1
_cell_volume   294.285
_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  0.996  0.025  0.251  1.0
  Ba  Ba1  1  0.004  0.975  0.749  1.0
  Sr  Sr2  1  0.500  0.000  0.000  1.0
  Sr  Sr3  1  0.000  0.500  0.500  1.0
  Eu  Eu4  1  0.510  0.544  0.253  1.0
  Eu  Eu5  1  0.490  0.456  0.747  1.0
  Se  Se6  1  0.000  0.500  0.000  1.0
  Se  Se7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.190  0.257  0.958  1.0
  O  O9  1  0.326  0.743  0.541  1.0
  O  O10  1  0.810  0.743  0.042  1.0
  O  O11  1  0.674  0.257  0.459  1.0
  O  O12  1  0.244  0.685  0.952  1.0
  O  O13  1  0.252  0.188  0.526  1.0
  O  O14  1  0.756  0.315  0.048  1.0
  O  O15  1  0.748  0.812  0.474  1.0
  O  O16  1  0.447  0.959  0.284  1.0
  O  O17  1  0.090  0.502  0.214  1.0
  O  O18  1  0.553  0.041  0.716  1.0
  O  O19  1  0.910  0.498  0.786  1.0
[/CIF]
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