The crystal structure described by Be3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to eight equivalent Be(1) and four equivalent Ru(1) atoms to form distorted BeBe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Be12 cuboctahedra; corners with fourteen Be(1,1)Be8Ru4 cuboctahedra; edges with six equivalent Ru(1)Be12 cuboctahedra; edges with twelve equivalent Be(1)Be8Ru4 cuboctahedra; faces with four equivalent Ru(1)Be12 cuboctahedra; and faces with sixteen Be(1,1)Be8Ru4 cuboctahedra. In the second Be site, Be(1) is bonded to eight Be(1,1) and four equivalent Ru(1) atoms to form distorted BeBe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Be12 cuboctahedra; corners with fourteen Be(1,1)Be8Ru4 cuboctahedra; edges with six equivalent Ru(1)Be12 cuboctahedra; edges with twelve Be(1,1)Be8Ru4 cuboctahedra; faces with four equivalent Ru(1)Be12 cuboctahedra; and faces with sixteen Be(1,1)Be8Ru4 cuboctahedra. Ru(1) is bonded to twelve Be(1,1) atoms to form RuBe12 cuboctahedra that share corners with six equivalent Ru(1)Be12 cuboctahedra; corners with twelve Be(1,1)Be8Ru4 cuboctahedra; edges with eighteen Be(1,1)Be8Ru4 cuboctahedra; faces with eight equivalent Ru(1)Be12 cuboctahedra; and faces with twelve Be(1,1)Be8Ru4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.777
_cell_length_b   4.778
_cell_length_c   3.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   74.256
_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
  Be  Be0  1  0.161  0.322  0.250  1.0
  Be  Be1  1  0.678  0.839  0.250  1.0
  Be  Be2  1  0.161  0.839  0.250  1.0
  Be  Be3  1  0.839  0.678  0.750  1.0
  Be  Be4  1  0.322  0.161  0.750  1.0
  Be  Be5  1  0.839  0.161  0.750  1.0
  Ru  Ru6  1  0.333  0.667  0.750  1.0
  Ru  Ru7  1  0.667  0.333  0.250  1.0
[/CIF]
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The crystal structure described by Be3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to eight equivalent Be(1) and four equivalent Ru(1) atoms to form distorted BeBe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Be12 cuboctahedra; corners with fourteen Be(1,1)Be8Ru4 cuboctahedra; edges with six equivalent Ru(1)Be12 cuboctahedra; edges with twelve equivalent Be(1)Be8Ru4 cuboctahedra; faces with four equivalent Ru(1)Be12 cuboctahedra; and faces with sixteen Be(1,1)Be8Ru4 cuboctahedra. In the second Be site, Be(1) is bonded to eight Be(1,1) and four equivalent Ru(1) atoms to form distorted BeBe8Ru4 cuboctahedra that share corners with four equivalent Ru(1)Be12 cuboctahedra; corners with fourteen Be(1,1)Be8Ru4 cuboctahedra; edges with six equivalent Ru(1)Be12 cuboctahedra; edges with twelve Be(1,1)Be8Ru4 cuboctahedra; faces with four equivalent Ru(1)Be12 cuboctahedra; and faces with sixteen Be(1,1)Be8Ru4 cuboctahedra. Ru(1) is bonded to twelve Be(1,1) atoms to form RuBe12 cuboctahedra that share corners with six equivalent Ru(1)Be12 cuboctahedra; corners with twelve Be(1,1)Be8Ru4 cuboctahedra; edges with eighteen Be(1,1)Be8Ru4 cuboctahedra; faces with eight equivalent Ru(1)Be12 cuboctahedra; and faces with twelve Be(1,1)Be8Ru4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.777
_cell_length_b   4.778
_cell_length_c   3.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   74.256
_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
  Be  Be0  1  0.161  0.322  0.250  1.0
  Be  Be1  1  0.678  0.839  0.250  1.0
  Be  Be2  1  0.161  0.839  0.250  1.0
  Be  Be3  1  0.839  0.678  0.750  1.0
  Be  Be4  1  0.322  0.161  0.750  1.0
  Be  Be5  1  0.839  0.161  0.750  1.0
  Ru  Ru6  1  0.333  0.667  0.750  1.0
  Ru  Ru7  1  0.667  0.333  0.250  1.0
[/CIF]
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