The material structure described by BeRu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded to four equivalent Ru(2) and eight equivalent Ru(1) atoms to form BeRu12 cuboctahedra that share corners with four equivalent Be(1)Ru12 cuboctahedra, edges with eight equivalent Be(1)Ru12 cuboctahedra, edges with sixteen equivalent Ru(1)Be4Ru8 cuboctahedra, faces with four equivalent Be(1)Ru12 cuboctahedra, and faces with eight equivalent Ru(1)Be4Ru8 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Be(1), four equivalent Ru(1), and four equivalent Ru(2) atoms to form distorted RuBe4Ru8 cuboctahedra that share corners with twelve equivalent Ru(1)Be4Ru8 cuboctahedra, edges with eight equivalent Be(1)Ru12 cuboctahedra, edges with eight equivalent Ru(1)Be4Ru8 cuboctahedra, faces with four equivalent Be(1)Ru12 cuboctahedra, and faces with ten equivalent Ru(1)Be4Ru8 cuboctahedra. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to four equivalent Be(1) and eight equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_BeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.706
_cell_length_b   4.706
_cell_length_c   4.706
_cell_angle_alpha   134.877
_cell_angle_beta   134.877
_cell_angle_gamma   65.722
_symmetry_Int_Tables_number   1
_cell_volume   51.564
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.750  0.250  0.500  1.0
  Ru  Ru2  1  0.250  0.750  0.500  1.0
  Ru  Ru3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by BeRu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Be(1) is bonded to four equivalent Ru(2) and eight equivalent Ru(1) atoms to form BeRu12 cuboctahedra that share corners with four equivalent Be(1)Ru12 cuboctahedra, edges with eight equivalent Be(1)Ru12 cuboctahedra, edges with sixteen equivalent Ru(1)Be4Ru8 cuboctahedra, faces with four equivalent Be(1)Ru12 cuboctahedra, and faces with eight equivalent Ru(1)Be4Ru8 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Be(1), four equivalent Ru(1), and four equivalent Ru(2) atoms to form distorted RuBe4Ru8 cuboctahedra that share corners with twelve equivalent Ru(1)Be4Ru8 cuboctahedra, edges with eight equivalent Be(1)Ru12 cuboctahedra, edges with eight equivalent Ru(1)Be4Ru8 cuboctahedra, faces with four equivalent Be(1)Ru12 cuboctahedra, and faces with ten equivalent Ru(1)Be4Ru8 cuboctahedra. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to four equivalent Be(1) and eight equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_BeRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.706
_cell_length_b   4.706
_cell_length_c   4.706
_cell_angle_alpha   134.877
_cell_angle_beta   134.877
_cell_angle_gamma   65.722
_symmetry_Int_Tables_number   1
_cell_volume   51.564
_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
  Be  Be0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.750  0.250  0.500  1.0
  Ru  Ru2  1  0.250  0.750  0.500  1.0
  Ru  Ru3  1  0.500  0.500  0.000  1.0
[/CIF]
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