The crystal structure described by Be12W crystallizes in the monoclinic C2/m space group. There are six inequivalent Be sites. In the first Be site, Be(1) is bonded in a 10-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(4), two equivalent Be(5), two equivalent Be(6), and one W(1) atom. In the second Be site, Be(2) is bonded to two equivalent Be(1), two equivalent Be(3), two equivalent Be(4), two equivalent Be(5), two equivalent Be(6), and two equivalent W(1) atoms to form a mixture of face, corner, and edge-sharing BeBe10W2 cuboctahedra. In the third Be site, Be(3) is bonded in a 10-coordinate geometry to one Be(3), two equivalent Be(2), two equivalent Be(4), two equivalent Be(5), two equivalent Be(6), and one W(1) atom. In the fourth Be site, Be(4) is bonded in a 12-coordinate geometry to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), two equivalent Be(5), two equivalent Be(6), and two equivalent W(1) atoms. In the fifth Be site, Be(5) is bonded to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), two equivalent Be(4), two equivalent Be(6), and two equivalent W(1) atoms to form a mixture of face, corner, and edge-sharing BeBe10W2 cuboctahedra. In the sixth Be site, Be(6) is bonded in a 12-coordinate geometry to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), two equivalent Be(4), two equivalent Be(5), and two equivalent W(1) atoms. W(1) is bonded in a 20-coordinate geometry to two equivalent Be(1), two equivalent Be(3), four equivalent Be(2), four equivalent Be(4), four equivalent Be(5), and four equivalent Be(6) atoms. is represented by the CIF file [CIF]
data_Be12W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   5.510
_cell_length_c   5.510
_cell_angle_alpha   81.641
_cell_angle_beta   67.581
_cell_angle_gamma   67.581
_symmetry_Int_Tables_number   1
_cell_volume   108.997
_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  0.650  0.350  1.0
  Be  Be1  1  0.000  0.500  0.000  1.0
  Be  Be2  1  0.651  0.351  0.351  1.0
  Be  Be3  1  0.500  0.212  0.788  1.0
  Be  Be4  1  0.000  0.350  0.650  1.0
  Be  Be5  1  0.500  0.000  0.500  1.0
  Be  Be6  1  0.349  0.649  0.649  1.0
  Be  Be7  1  0.292  0.209  0.209  1.0
  Be  Be8  1  0.500  0.788  0.212  1.0
  Be  Be9  1  0.000  0.000  0.500  1.0
  Be  Be10  1  0.708  0.791  0.791  1.0
  Be  Be11  1  0.500  0.500  0.000  1.0
  W  W12  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Be12W crystallizes in the monoclinic C2/m space group. There are six inequivalent Be sites. In the first Be site, Be(1) is bonded in a 10-coordinate geometry to one Be(1), two equivalent Be(2), two equivalent Be(4), two equivalent Be(5), two equivalent Be(6), and one W(1) atom. In the second Be site, Be(2) is bonded to two equivalent Be(1), two equivalent Be(3), two equivalent Be(4), two equivalent Be(5), two equivalent Be(6), and two equivalent W(1) atoms to form a mixture of face, corner, and edge-sharing BeBe10W2 cuboctahedra. In the third Be site, Be(3) is bonded in a 10-coordinate geometry to one Be(3), two equivalent Be(2), two equivalent Be(4), two equivalent Be(5), two equivalent Be(6), and one W(1) atom. In the fourth Be site, Be(4) is bonded in a 12-coordinate geometry to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), two equivalent Be(5), two equivalent Be(6), and two equivalent W(1) atoms. In the fifth Be site, Be(5) is bonded to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), two equivalent Be(4), two equivalent Be(6), and two equivalent W(1) atoms to form a mixture of face, corner, and edge-sharing BeBe10W2 cuboctahedra. In the sixth Be site, Be(6) is bonded in a 12-coordinate geometry to two equivalent Be(1), two equivalent Be(2), two equivalent Be(3), two equivalent Be(4), two equivalent Be(5), and two equivalent W(1) atoms. W(1) is bonded in a 20-coordinate geometry to two equivalent Be(1), two equivalent Be(3), four equivalent Be(2), four equivalent Be(4), four equivalent Be(5), and four equivalent Be(6) atoms. is represented by the CIF file [CIF]
data_Be12W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.201
_cell_length_b   5.510
_cell_length_c   5.510
_cell_angle_alpha   81.641
_cell_angle_beta   67.581
_cell_angle_gamma   67.581
_symmetry_Int_Tables_number   1
_cell_volume   108.997
_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  0.650  0.350  1.0
  Be  Be1  1  0.000  0.500  0.000  1.0
  Be  Be2  1  0.651  0.351  0.351  1.0
  Be  Be3  1  0.500  0.212  0.788  1.0
  Be  Be4  1  0.000  0.350  0.650  1.0
  Be  Be5  1  0.500  0.000  0.500  1.0
  Be  Be6  1  0.349  0.649  0.649  1.0
  Be  Be7  1  0.292  0.209  0.209  1.0
  Be  Be8  1  0.500  0.788  0.212  1.0
  Be  Be9  1  0.000  0.000  0.500  1.0
  Be  Be10  1  0.708  0.791  0.791  1.0
  Be  Be11  1  0.500  0.500  0.000  1.0
  W  W12  1  0.000  0.000  0.000  1.0
[/CIF]
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