The material described by Be25U2Cu crystallizes in the cubic Fm-3 space group. There are three inequivalent Be sites. In the first Be site, Be(3) is bonded in a cuboctahedral geometry to twelve equivalent Be(1) atoms. In the second Be site, Be(1) is bonded in a 12-coordinate geometry to one Be(3), four equivalent Be(2), five equivalent Be(1), and two equivalent U(1) atoms. In the third Be site, Be(2) is bonded in a 12-coordinate geometry to four equivalent Be(1), five equivalent Be(2), two equivalent U(1), and one Cu(1) atom. U(1) is bonded in a 24-coordinate geometry to twelve equivalent Be(1) and twelve equivalent Be(2) atoms. Cu(1) is bonded in a cuboctahedral geometry to twelve equivalent Be(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Be25Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   7.279
_cell_length_c   7.279
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   272.708
_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
  U  U0  1  0.250  0.250  0.250  1.0
  U  U1  1  0.750  0.750  0.750  1.0
  Be  Be2  1  0.788  0.563  0.212  1.0
  Be  Be3  1  0.212  0.437  0.788  1.0
  Be  Be4  1  0.563  0.788  0.437  1.0
  Be  Be5  1  0.437  0.212  0.563  1.0
  Be  Be6  1  0.301  0.940  0.699  1.0
  Be  Be7  1  0.699  0.060  0.301  1.0
  Be  Be8  1  0.940  0.301  0.060  1.0
  Be  Be9  1  0.060  0.699  0.940  1.0
  Be  Be10  1  0.212  0.788  0.563  1.0
  Be  Be11  1  0.788  0.212  0.437  1.0
  Be  Be12  1  0.437  0.563  0.788  1.0
  Be  Be13  1  0.563  0.437  0.212  1.0
  Be  Be14  1  0.699  0.301  0.940  1.0
  Be  Be15  1  0.301  0.699  0.060  1.0
  Be  Be16  1  0.060  0.940  0.301  1.0
  Be  Be17  1  0.940  0.060  0.699  1.0
  Be  Be18  1  0.563  0.212  0.788  1.0
  Be  Be19  1  0.437  0.788  0.212  1.0
  Be  Be20  1  0.788  0.437  0.563  1.0
  Be  Be21  1  0.212  0.563  0.437  1.0
  Be  Be22  1  0.940  0.699  0.301  1.0
  Be  Be23  1  0.060  0.301  0.699  1.0
  Be  Be24  1  0.301  0.060  0.940  1.0
  Be  Be25  1  0.699  0.940  0.060  1.0
  Be  Be26  1  0.500  0.500  0.500  1.0
  Cu  Cu27  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Be25U2Cu crystallizes in the cubic Fm-3 space group. There are three inequivalent Be sites. In the first Be site, Be(3) is bonded in a cuboctahedral geometry to twelve equivalent Be(1) atoms. In the second Be site, Be(1) is bonded in a 12-coordinate geometry to one Be(3), four equivalent Be(2), five equivalent Be(1), and two equivalent U(1) atoms. In the third Be site, Be(2) is bonded in a 12-coordinate geometry to four equivalent Be(1), five equivalent Be(2), two equivalent U(1), and one Cu(1) atom. U(1) is bonded in a 24-coordinate geometry to twelve equivalent Be(1) and twelve equivalent Be(2) atoms. Cu(1) is bonded in a cuboctahedral geometry to twelve equivalent Be(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_U2Be25Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   7.279
_cell_length_c   7.279
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   272.708
_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
  U  U0  1  0.250  0.250  0.250  1.0
  U  U1  1  0.750  0.750  0.750  1.0
  Be  Be2  1  0.788  0.563  0.212  1.0
  Be  Be3  1  0.212  0.437  0.788  1.0
  Be  Be4  1  0.563  0.788  0.437  1.0
  Be  Be5  1  0.437  0.212  0.563  1.0
  Be  Be6  1  0.301  0.940  0.699  1.0
  Be  Be7  1  0.699  0.060  0.301  1.0
  Be  Be8  1  0.940  0.301  0.060  1.0
  Be  Be9  1  0.060  0.699  0.940  1.0
  Be  Be10  1  0.212  0.788  0.563  1.0
  Be  Be11  1  0.788  0.212  0.437  1.0
  Be  Be12  1  0.437  0.563  0.788  1.0
  Be  Be13  1  0.563  0.437  0.212  1.0
  Be  Be14  1  0.699  0.301  0.940  1.0
  Be  Be15  1  0.301  0.699  0.060  1.0
  Be  Be16  1  0.060  0.940  0.301  1.0
  Be  Be17  1  0.940  0.060  0.699  1.0
  Be  Be18  1  0.563  0.212  0.788  1.0
  Be  Be19  1  0.437  0.788  0.212  1.0
  Be  Be20  1  0.788  0.437  0.563  1.0
  Be  Be21  1  0.212  0.563  0.437  1.0
  Be  Be22  1  0.940  0.699  0.301  1.0
  Be  Be23  1  0.060  0.301  0.699  1.0
  Be  Be24  1  0.301  0.060  0.940  1.0
  Be  Be25  1  0.699  0.940  0.060  1.0
  Be  Be26  1  0.500  0.500  0.500  1.0
  Cu  Cu27  1  0.000  0.000  0.000  1.0
[/CIF]
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