The material structure described by VMn11Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. V(1) is bonded in a body-centered cubic geometry to two equivalent Mn(3) and six equivalent Mn(4) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Mn(6), three equivalent Mn(5), one Al(2), and three equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), one Al(1), and three equivalent Al(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one Mn(5), and four equivalent Al(2) atoms. In the fifth Mn site, Mn(5) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), three equivalent Mn(1), three equivalent Mn(3), three equivalent Al(1), and three equivalent Al(2) atoms. In the sixth Mn site, Mn(6) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), six equivalent Mn(2), and six equivalent Al(1) atoms. In the seventh Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted body-centered cubic geometry to one Mn(3), three equivalent Mn(1), three equivalent Mn(5), three equivalent Mn(6), and four equivalent Mn(2) atoms. In the second Al site, Al(2) is bonded in a distorted body-centered cubic geometry to one Mn(1), three equivalent Mn(3), three equivalent Mn(5), and four equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Mn11Al4V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.055
_cell_length_b   4.055
_cell_length_c   13.436
_cell_angle_alpha   90.000
_cell_angle_beta   81.321
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.388
_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
  Mn  Mn0  1  0.999  0.500  0.501  1.0
  Mn  Mn1  1  0.501  0.750  0.749  1.0
  Mn  Mn2  1  0.001  0.000  0.999  1.0
  Mn  Mn3  1  0.499  0.249  0.252  1.0
  Mn  Mn4  1  0.249  0.125  0.626  1.0
  Mn  Mn5  1  0.751  0.375  0.874  1.0
  Mn  Mn6  1  0.251  0.626  0.123  1.0
  Mn  Mn7  1  0.749  0.875  0.376  1.0
  Mn  Mn8  1  0.373  0.186  0.441  1.0
  Mn  Mn9  1  0.875  0.438  0.688  1.0
  Mn  Mn10  1  0.377  0.689  0.934  1.0
  Al  Al11  1  0.625  0.812  0.563  1.0
  Al  Al12  1  0.125  0.063  0.812  1.0
  Al  Al13  1  0.626  0.313  0.061  1.0
  Al  Al14  1  0.124  0.562  0.314  1.0
  V  V15  1  0.875  0.938  0.188  1.0
[/CIF]
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The material structure described by VMn11Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. V(1) is bonded in a body-centered cubic geometry to two equivalent Mn(3) and six equivalent Mn(4) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Mn(6), three equivalent Mn(5), one Al(2), and three equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), one Al(1), and three equivalent Al(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one Mn(5), and four equivalent Al(2) atoms. In the fifth Mn site, Mn(5) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), three equivalent Mn(1), three equivalent Mn(3), three equivalent Al(1), and three equivalent Al(2) atoms. In the sixth Mn site, Mn(6) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), six equivalent Mn(2), and six equivalent Al(1) atoms. In the seventh Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted body-centered cubic geometry to one Mn(3), three equivalent Mn(1), three equivalent Mn(5), three equivalent Mn(6), and four equivalent Mn(2) atoms. In the second Al site, Al(2) is bonded in a distorted body-centered cubic geometry to one Mn(1), three equivalent Mn(3), three equivalent Mn(5), and four equivalent Mn(4) atoms. is represented by the CIF file [CIF]
data_Mn11Al4V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.055
_cell_length_b   4.055
_cell_length_c   13.436
_cell_angle_alpha   90.000
_cell_angle_beta   81.321
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.388
_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
  Mn  Mn0  1  0.999  0.500  0.501  1.0
  Mn  Mn1  1  0.501  0.750  0.749  1.0
  Mn  Mn2  1  0.001  0.000  0.999  1.0
  Mn  Mn3  1  0.499  0.249  0.252  1.0
  Mn  Mn4  1  0.249  0.125  0.626  1.0
  Mn  Mn5  1  0.751  0.375  0.874  1.0
  Mn  Mn6  1  0.251  0.626  0.123  1.0
  Mn  Mn7  1  0.749  0.875  0.376  1.0
  Mn  Mn8  1  0.373  0.186  0.441  1.0
  Mn  Mn9  1  0.875  0.438  0.688  1.0
  Mn  Mn10  1  0.377  0.689  0.934  1.0
  Al  Al11  1  0.625  0.812  0.563  1.0
  Al  Al12  1  0.125  0.063  0.812  1.0
  Al  Al13  1  0.626  0.313  0.061  1.0
  Al  Al14  1  0.124  0.562  0.314  1.0
  V  V15  1  0.875  0.938  0.188  1.0
[/CIF]
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