The compound described by V3Mn9Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(4), three equivalent Mn(1), and three equivalent Mn(3) atoms. In the second V site, V(2) is bonded in a body-centered cubic geometry to two equivalent Mn(1) and six equivalent Mn(2) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(1), one Al(2), and three equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(2), and four equivalent Al(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one 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 one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. In the fifth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. In the sixth Mn site, Mn(5) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(3); six Mn(4,4); and six equivalent Al(2) atoms. In the seventh Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), 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 Mn(4,4) atoms. is represented by the CIF card [CIF]
data_Mn9Al4V3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.109
_cell_length_b   4.109
_cell_length_c   13.621
_cell_angle_alpha   90.000
_cell_angle_beta   81.325
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   196.112
_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  1.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.750  0.750  1.0
  Mn  Mn2  1  1.000  1.000  0.001  1.0
  Mn  Mn3  1  0.500  0.250  0.249  1.0
  Mn  Mn4  1  0.250  0.125  0.625  1.0
  Mn  Mn5  1  0.750  0.375  0.875  1.0
  Mn  Mn6  1  0.250  0.625  0.126  1.0
  Mn  Mn7  1  0.750  0.875  0.374  1.0
  Mn  Mn8  1  0.875  0.938  0.188  1.0
  Al  Al9  1  0.625  0.813  0.562  1.0
  Al  Al10  1  0.125  0.062  0.813  1.0
  Al  Al11  1  0.624  0.312  0.064  1.0
  Al  Al12  1  0.126  0.563  0.311  1.0
  V  V13  1  0.376  0.188  0.436  1.0
  V  V14  1  0.875  0.438  0.688  1.0
  V  V15  1  0.374  0.687  0.939  1.0
[/CIF]
.
The compound described by V3Mn9Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(4), three equivalent Mn(1), and three equivalent Mn(3) atoms. In the second V site, V(2) is bonded in a body-centered cubic geometry to two equivalent Mn(1) and six equivalent Mn(2) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(1), one Al(2), and three equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(2), and four equivalent Al(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one 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 one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. In the fifth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. In the sixth Mn site, Mn(5) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(3); six Mn(4,4); and six equivalent Al(2) atoms. In the seventh Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), 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 Mn(4,4) atoms. is represented by the CIF card [CIF]
data_Mn9Al4V3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.109
_cell_length_b   4.109
_cell_length_c   13.621
_cell_angle_alpha   90.000
_cell_angle_beta   81.325
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   196.112
_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  1.000  0.500  0.500  1.0
  Mn  Mn1  1  0.500  0.750  0.750  1.0
  Mn  Mn2  1  1.000  1.000  0.001  1.0
  Mn  Mn3  1  0.500  0.250  0.249  1.0
  Mn  Mn4  1  0.250  0.125  0.625  1.0
  Mn  Mn5  1  0.750  0.375  0.875  1.0
  Mn  Mn6  1  0.250  0.625  0.126  1.0
  Mn  Mn7  1  0.750  0.875  0.374  1.0
  Mn  Mn8  1  0.875  0.938  0.188  1.0
  Al  Al9  1  0.625  0.813  0.562  1.0
  Al  Al10  1  0.125  0.062  0.813  1.0
  Al  Al11  1  0.624  0.312  0.064  1.0
  Al  Al12  1  0.126  0.563  0.311  1.0
  V  V13  1  0.376  0.188  0.436  1.0
  V  V14  1  0.875  0.438  0.688  1.0
  V  V15  1  0.374  0.687  0.939  1.0
[/CIF]
.