The material structure described by CsEuBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(2) and six equivalent Br(1) atoms. Eu(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing EuBr6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Eu(1) atoms. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to two equivalent Cs(1) and two equivalent Eu(1) atoms. is represented by the CIF file [CIF]
data_CsEuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.168
_cell_length_b   8.398
_cell_length_c   11.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   808.700
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.512  0.447  0.250  1.0
  Cs  Cs1  1  0.988  0.947  0.250  1.0
  Cs  Cs2  1  0.012  0.053  0.750  1.0
  Cs  Cs3  1  0.488  0.553  0.750  1.0
  Eu  Eu4  1  0.000  0.500  0.000  1.0
  Eu  Eu5  1  0.500  0.000  0.000  1.0
  Eu  Eu6  1  0.500  0.000  0.500  1.0
  Eu  Eu7  1  0.000  0.500  0.500  1.0
  Br  Br8  1  0.798  0.204  0.034  1.0
  Br  Br9  1  0.202  0.796  0.966  1.0
  Br  Br10  1  0.298  0.296  0.534  1.0
  Br  Br11  1  0.702  0.704  0.466  1.0
  Br  Br12  1  0.702  0.704  0.034  1.0
  Br  Br13  1  0.935  0.492  0.750  1.0
  Br  Br14  1  0.798  0.204  0.466  1.0
  Br  Br15  1  0.435  0.008  0.250  1.0
  Br  Br16  1  0.298  0.296  0.966  1.0
  Br  Br17  1  0.065  0.508  0.250  1.0
  Br  Br18  1  0.202  0.796  0.534  1.0
  Br  Br19  1  0.565  0.992  0.750  1.0
[/CIF]
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The material structure described by CsEuBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Br(2) and six equivalent Br(1) atoms. Eu(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form corner-sharing EuBr6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Eu(1) atoms. In the second Br site, Br(2) is bonded in a distorted see-saw-like geometry to two equivalent Cs(1) and two equivalent Eu(1) atoms. is represented by the CIF file [CIF]
data_CsEuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.168
_cell_length_b   8.398
_cell_length_c   11.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   808.700
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.512  0.447  0.250  1.0
  Cs  Cs1  1  0.988  0.947  0.250  1.0
  Cs  Cs2  1  0.012  0.053  0.750  1.0
  Cs  Cs3  1  0.488  0.553  0.750  1.0
  Eu  Eu4  1  0.000  0.500  0.000  1.0
  Eu  Eu5  1  0.500  0.000  0.000  1.0
  Eu  Eu6  1  0.500  0.000  0.500  1.0
  Eu  Eu7  1  0.000  0.500  0.500  1.0
  Br  Br8  1  0.798  0.204  0.034  1.0
  Br  Br9  1  0.202  0.796  0.966  1.0
  Br  Br10  1  0.298  0.296  0.534  1.0
  Br  Br11  1  0.702  0.704  0.466  1.0
  Br  Br12  1  0.702  0.704  0.034  1.0
  Br  Br13  1  0.935  0.492  0.750  1.0
  Br  Br14  1  0.798  0.204  0.466  1.0
  Br  Br15  1  0.435  0.008  0.250  1.0
  Br  Br16  1  0.298  0.296  0.966  1.0
  Br  Br17  1  0.065  0.508  0.250  1.0
  Br  Br18  1  0.202  0.796  0.534  1.0
  Br  Br19  1  0.565  0.992  0.750  1.0
[/CIF]
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