The material described by Be12V crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted q6 geometry to two equivalent Be(1), four equivalent Be(2), four equivalent Be(3), and two equivalent V(1) atoms. In the second Be site, Be(2) is bonded in a 10-coordinate geometry to one Be(2), four equivalent Be(1), four equivalent Be(3), and one V(1) atom. In the third Be site, Be(3) is bonded to two equivalent Be(3), four equivalent Be(1), four equivalent Be(2), and two equivalent V(1) atoms to form a mixture of distorted edge, corner, and face-sharing BeBe10V2 cuboctahedra. V(1) is bonded in a 20-coordinate geometry to four equivalent Be(2), eight equivalent Be(1), and eight equivalent Be(3) atoms. is represented by the CIF file [CIF]
data_Be12V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.145
_cell_length_b   5.510
_cell_length_c   5.510
_cell_angle_alpha   81.872
_cell_angle_beta   67.903
_cell_angle_gamma   67.903
_symmetry_Int_Tables_number   1
_cell_volume   108.054
_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  0.500  0.788  0.212  1.0
  Be  Be1  1  0.348  0.652  0.652  1.0
  Be  Be2  1  0.000  0.349  0.651  1.0
  Be  Be3  1  1.000  0.651  0.349  1.0
  Be  Be4  1  0.711  0.788  0.788  1.0
  Be  Be5  1  0.500  0.000  0.500  1.0
  Be  Be6  1  0.500  0.212  0.788  1.0
  Be  Be7  1  0.652  0.348  0.348  1.0
  Be  Be8  1  0.289  0.212  0.212  1.0
  Be  Be9  1  0.500  0.500  0.000  1.0
  Be  Be10  1  0.000  0.500  0.000  1.0
  Be  Be11  1  0.000  0.000  0.500  1.0
  V  V12  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Be12V crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted q6 geometry to two equivalent Be(1), four equivalent Be(2), four equivalent Be(3), and two equivalent V(1) atoms. In the second Be site, Be(2) is bonded in a 10-coordinate geometry to one Be(2), four equivalent Be(1), four equivalent Be(3), and one V(1) atom. In the third Be site, Be(3) is bonded to two equivalent Be(3), four equivalent Be(1), four equivalent Be(2), and two equivalent V(1) atoms to form a mixture of distorted edge, corner, and face-sharing BeBe10V2 cuboctahedra. V(1) is bonded in a 20-coordinate geometry to four equivalent Be(2), eight equivalent Be(1), and eight equivalent Be(3) atoms. is represented by the CIF file [CIF]
data_Be12V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.145
_cell_length_b   5.510
_cell_length_c   5.510
_cell_angle_alpha   81.872
_cell_angle_beta   67.903
_cell_angle_gamma   67.903
_symmetry_Int_Tables_number   1
_cell_volume   108.054
_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  0.500  0.788  0.212  1.0
  Be  Be1  1  0.348  0.652  0.652  1.0
  Be  Be2  1  0.000  0.349  0.651  1.0
  Be  Be3  1  1.000  0.651  0.349  1.0
  Be  Be4  1  0.711  0.788  0.788  1.0
  Be  Be5  1  0.500  0.000  0.500  1.0
  Be  Be6  1  0.500  0.212  0.788  1.0
  Be  Be7  1  0.652  0.348  0.348  1.0
  Be  Be8  1  0.289  0.212  0.212  1.0
  Be  Be9  1  0.500  0.500  0.000  1.0
  Be  Be10  1  0.000  0.500  0.000  1.0
  Be  Be11  1  0.000  0.000  0.500  1.0
  V  V12  1  0.000  0.000  0.000  1.0
[/CIF]
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