The material described by Be2Mo is Hexagonal Laves 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 six equivalent Be(2) and six equivalent Mo(1) atoms to form a mixture of edge, face, and corner-sharing BeBe6Mo6 cuboctahedra. In the second Be site, Be(2) is bonded to two equivalent Be(1), four equivalent Be(2), and six equivalent Mo(1) atoms to form a mixture of edge, face, and corner-sharing BeBe6Mo6 cuboctahedra. Mo(1) is bonded in a 12-coordinate geometry to three equivalent Be(1) and nine equivalent Be(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.442
_cell_length_b   4.442
_cell_length_c   7.289
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.551
_cell_formula_units_Z   4
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
  Be  Be1  1  0.000  0.000  0.500  1.0
  Be  Be2  1  0.830  0.661  0.250  1.0
  Be  Be3  1  0.170  0.830  0.750  1.0
  Be  Be4  1  0.661  0.830  0.750  1.0
  Be  Be5  1  0.339  0.170  0.250  1.0
  Be  Be6  1  0.830  0.170  0.250  1.0
  Be  Be7  1  0.170  0.339  0.750  1.0
  Mo  Mo8  1  0.333  0.667  0.063  1.0
  Mo  Mo9  1  0.667  0.333  0.563  1.0
  Mo  Mo10  1  0.667  0.333  0.937  1.0
  Mo  Mo11  1  0.333  0.667  0.437  1.0
[/CIF]
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The material described by Be2Mo is Hexagonal Laves 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 six equivalent Be(2) and six equivalent Mo(1) atoms to form a mixture of edge, face, and corner-sharing BeBe6Mo6 cuboctahedra. In the second Be site, Be(2) is bonded to two equivalent Be(1), four equivalent Be(2), and six equivalent Mo(1) atoms to form a mixture of edge, face, and corner-sharing BeBe6Mo6 cuboctahedra. Mo(1) is bonded in a 12-coordinate geometry to three equivalent Be(1) and nine equivalent Be(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Be2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.442
_cell_length_b   4.442
_cell_length_c   7.289
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   124.551
_cell_formula_units_Z   4
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
  Be  Be1  1  0.000  0.000  0.500  1.0
  Be  Be2  1  0.830  0.661  0.250  1.0
  Be  Be3  1  0.170  0.830  0.750  1.0
  Be  Be4  1  0.661  0.830  0.750  1.0
  Be  Be5  1  0.339  0.170  0.250  1.0
  Be  Be6  1  0.830  0.170  0.250  1.0
  Be  Be7  1  0.170  0.339  0.750  1.0
  Mo  Mo8  1  0.333  0.667  0.063  1.0
  Mo  Mo9  1  0.667  0.333  0.563  1.0
  Mo  Mo10  1  0.667  0.333  0.937  1.0
  Mo  Mo11  1  0.333  0.667  0.437  1.0
[/CIF]
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