The material described by Eu2H3Br crystallizes in the trigonal P-3m1 space group. Eu(1) is bonded in a 10-coordinate geometry to three equivalent H(2), four equivalent H(1), and three equivalent Br(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Eu(1) atoms to form HEu4 trigonal pyramids that share corners with three equivalent H(2)Eu6 octahedra, corners with six equivalent Br(1)Eu6 octahedra, corners with six equivalent H(1)Eu4 trigonal pyramids, edges with three equivalent Br(1)Eu6 octahedra, edges with three equivalent H(1)Eu4 trigonal pyramids, and faces with three equivalent H(2)Eu6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second H site, H(2) is bonded to six equivalent Eu(1) atoms to form HEu6 octahedra that share corners with twelve equivalent Br(1)Eu6 octahedra, corners with six equivalent H(1)Eu4 trigonal pyramids, edges with six equivalent H(2)Eu6 octahedra, faces with two equivalent Br(1)Eu6 octahedra, and faces with six equivalent H(1)Eu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Br(1) is bonded to six equivalent Eu(1) atoms to form distorted BrEu6 octahedra that share corners with twelve equivalent H(2)Eu6 octahedra, corners with twelve equivalent H(1)Eu4 trigonal pyramids, edges with six equivalent Br(1)Eu6 octahedra, edges with six equivalent H(1)Eu4 trigonal pyramids, and faces with two equivalent H(2)Eu6 octahedra. The corner-sharing octahedral tilt angles are 49°. is represented by the CIF file [CIF]
data_Eu2H3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.069
_cell_length_b   4.069
_cell_length_c   7.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.718
_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
  Eu  Eu0  1  0.667  0.333  0.690  1.0
  Eu  Eu1  1  0.333  0.667  0.310  1.0
  H  H2  1  0.667  0.333  0.353  1.0
  H  H3  1  0.333  0.667  0.647  1.0
  H  H4  1  0.000  0.000  0.500  1.0
  Br  Br5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Eu2H3Br crystallizes in the trigonal P-3m1 space group. Eu(1) is bonded in a 10-coordinate geometry to three equivalent H(2), four equivalent H(1), and three equivalent Br(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Eu(1) atoms to form HEu4 trigonal pyramids that share corners with three equivalent H(2)Eu6 octahedra, corners with six equivalent Br(1)Eu6 octahedra, corners with six equivalent H(1)Eu4 trigonal pyramids, edges with three equivalent Br(1)Eu6 octahedra, edges with three equivalent H(1)Eu4 trigonal pyramids, and faces with three equivalent H(2)Eu6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second H site, H(2) is bonded to six equivalent Eu(1) atoms to form HEu6 octahedra that share corners with twelve equivalent Br(1)Eu6 octahedra, corners with six equivalent H(1)Eu4 trigonal pyramids, edges with six equivalent H(2)Eu6 octahedra, faces with two equivalent Br(1)Eu6 octahedra, and faces with six equivalent H(1)Eu4 trigonal pyramids. The corner-sharing octahedral tilt angles are 49°. Br(1) is bonded to six equivalent Eu(1) atoms to form distorted BrEu6 octahedra that share corners with twelve equivalent H(2)Eu6 octahedra, corners with twelve equivalent H(1)Eu4 trigonal pyramids, edges with six equivalent Br(1)Eu6 octahedra, edges with six equivalent H(1)Eu4 trigonal pyramids, and faces with two equivalent H(2)Eu6 octahedra. The corner-sharing octahedral tilt angles are 49°. is represented by the CIF file [CIF]
data_Eu2H3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.069
_cell_length_b   4.069
_cell_length_c   7.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   101.718
_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
  Eu  Eu0  1  0.667  0.333  0.690  1.0
  Eu  Eu1  1  0.333  0.667  0.310  1.0
  H  H2  1  0.667  0.333  0.353  1.0
  H  H3  1  0.333  0.667  0.647  1.0
  H  H4  1  0.000  0.000  0.500  1.0
  Br  Br5  1  0.000  0.000  0.000  1.0
[/CIF]
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