The material described by BeMn3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Be(1) is bonded to twelve equivalent Mn(1) atoms to form BeMn12 cuboctahedra that share corners with six equivalent Be(1)Mn12 cuboctahedra, corners with twelve equivalent Mn(1)Mn8Be4 cuboctahedra, edges with eighteen equivalent Mn(1)Mn8Be4 cuboctahedra, faces with eight equivalent Be(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(1)Mn8Be4 cuboctahedra. Mn(1) is bonded to four equivalent Be(1) and eight equivalent Mn(1) atoms to form MnMn8Be4 cuboctahedra that share corners with four equivalent Be(1)Mn12 cuboctahedra, corners with fourteen equivalent Mn(1)Mn8Be4 cuboctahedra, edges with six equivalent Be(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(1)Mn8Be4 cuboctahedra, faces with four equivalent Be(1)Mn12 cuboctahedra, and faces with sixteen equivalent Mn(1)Mn8Be4 cuboctahedra. is represented by the CIF file [CIF]
data_Mn3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.791
_cell_length_b   4.791
_cell_length_c   4.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.169
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.172  0.344  0.250  1.0
  Mn  Mn1  1  0.656  0.828  0.250  1.0
  Mn  Mn2  1  0.172  0.828  0.250  1.0
  Mn  Mn3  1  0.828  0.656  0.750  1.0
  Mn  Mn4  1  0.344  0.172  0.750  1.0
  Mn  Mn5  1  0.828  0.172  0.750  1.0
  Be  Be6  1  0.333  0.667  0.750  1.0
  Be  Be7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material described by BeMn3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Be(1) is bonded to twelve equivalent Mn(1) atoms to form BeMn12 cuboctahedra that share corners with six equivalent Be(1)Mn12 cuboctahedra, corners with twelve equivalent Mn(1)Mn8Be4 cuboctahedra, edges with eighteen equivalent Mn(1)Mn8Be4 cuboctahedra, faces with eight equivalent Be(1)Mn12 cuboctahedra, and faces with twelve equivalent Mn(1)Mn8Be4 cuboctahedra. Mn(1) is bonded to four equivalent Be(1) and eight equivalent Mn(1) atoms to form MnMn8Be4 cuboctahedra that share corners with four equivalent Be(1)Mn12 cuboctahedra, corners with fourteen equivalent Mn(1)Mn8Be4 cuboctahedra, edges with six equivalent Be(1)Mn12 cuboctahedra, edges with twelve equivalent Mn(1)Mn8Be4 cuboctahedra, faces with four equivalent Be(1)Mn12 cuboctahedra, and faces with sixteen equivalent Mn(1)Mn8Be4 cuboctahedra. is represented by the CIF file [CIF]
data_Mn3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.791
_cell_length_b   4.791
_cell_length_c   4.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   80.169
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.172  0.344  0.250  1.0
  Mn  Mn1  1  0.656  0.828  0.250  1.0
  Mn  Mn2  1  0.172  0.828  0.250  1.0
  Mn  Mn3  1  0.828  0.656  0.750  1.0
  Mn  Mn4  1  0.344  0.172  0.750  1.0
  Mn  Mn5  1  0.828  0.172  0.750  1.0
  Be  Be6  1  0.333  0.667  0.750  1.0
  Be  Be7  1  0.667  0.333  0.250  1.0
[/CIF]
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