The crystal structure described by V5Mn7Al4 is Heusler-like structured and crystallizes in the trigonal R3m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(2), one Mn(7), and three equivalent Mn(1) atoms. In the second V site, V(2) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(3), three equivalent Mn(2), and three equivalent Mn(5) atoms. In the third V site, V(3) is bonded in a body-centered cubic geometry to one Mn(4), one Mn(5), three equivalent Mn(3), and three equivalent Mn(6) atoms. In the fourth V site, V(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(6), three equivalent Mn(4), and three equivalent Mn(7) atoms. In the fifth V site, V(5) is bonded in a distorted body-centered cubic geometry to one V(2), three equivalent V(1), three equivalent Mn(1), three equivalent Mn(2), one Al(3), and three equivalent Al(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 V(4), three equivalent V(1), three equivalent V(5), one Al(4), and three equivalent Al(3) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent V(2), three equivalent V(5), one Al(1), and three equivalent Al(4) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(3), one Al(2), and three equivalent Al(1) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(4), one Al(3), and three equivalent Al(2) atoms. In the fifth Mn site, Mn(5) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(2), one Al(4), and three equivalent Al(1) atoms. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to one V(4), three equivalent V(3), one Al(1), and three equivalent Al(2) atoms. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(4), one Al(2), and three equivalent Al(3) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(6), three equivalent Mn(3), and three equivalent Mn(5) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to one Mn(3), one Mn(7), three equivalent Mn(4), and three equivalent Mn(6) atoms. In the third Al site, Al(3) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(4), three equivalent Mn(1), and three equivalent Mn(7) atoms. In the fourth Al site, Al(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(1), one Mn(5), and three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn7Al4V5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.706
_cell_length_b   13.706
_cell_length_c   13.706
_cell_angle_alpha   17.353
_cell_angle_beta   17.353
_cell_angle_gamma   17.353
_symmetry_Int_Tables_number   1
_cell_volume   199.887
_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  0.875  0.875  0.875  1.0
  Mn  Mn1  1  0.625  0.625  0.625  1.0
  Mn  Mn2  1  0.375  0.375  0.375  1.0
  Mn  Mn3  1  0.125  0.125  0.125  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.750  0.750  0.750  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Al  Al7  1  0.688  0.688  0.688  1.0
  Al  Al8  1  0.437  0.437  0.437  1.0
  Al  Al9  1  0.187  0.187  0.187  1.0
  Al  Al10  1  0.938  0.938  0.938  1.0
  V  V11  1  0.562  0.562  0.562  1.0
  V  V12  1  0.313  0.313  0.313  1.0
  V  V13  1  0.063  0.063  0.063  1.0
  V  V14  1  0.812  0.812  0.812  1.0
  V  V15  1  0.250  0.250  0.250  1.0
[/CIF]
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The crystal structure described by V5Mn7Al4 is Heusler-like structured and crystallizes in the trigonal R3m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(2), one Mn(7), and three equivalent Mn(1) atoms. In the second V site, V(2) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(3), three equivalent Mn(2), and three equivalent Mn(5) atoms. In the third V site, V(3) is bonded in a body-centered cubic geometry to one Mn(4), one Mn(5), three equivalent Mn(3), and three equivalent Mn(6) atoms. In the fourth V site, V(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(6), three equivalent Mn(4), and three equivalent Mn(7) atoms. In the fifth V site, V(5) is bonded in a distorted body-centered cubic geometry to one V(2), three equivalent V(1), three equivalent Mn(1), three equivalent Mn(2), one Al(3), and three equivalent Al(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 V(4), three equivalent V(1), three equivalent V(5), one Al(4), and three equivalent Al(3) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent V(2), three equivalent V(5), one Al(1), and three equivalent Al(4) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(3), one Al(2), and three equivalent Al(1) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(4), one Al(3), and three equivalent Al(2) atoms. In the fifth Mn site, Mn(5) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(2), one Al(4), and three equivalent Al(1) atoms. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to one V(4), three equivalent V(3), one Al(1), and three equivalent Al(2) atoms. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(4), one Al(2), and three equivalent Al(3) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(6), three equivalent Mn(3), and three equivalent Mn(5) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to one Mn(3), one Mn(7), three equivalent Mn(4), and three equivalent Mn(6) atoms. In the third Al site, Al(3) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(4), three equivalent Mn(1), and three equivalent Mn(7) atoms. In the fourth Al site, Al(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(1), one Mn(5), and three equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn7Al4V5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.706
_cell_length_b   13.706
_cell_length_c   13.706
_cell_angle_alpha   17.353
_cell_angle_beta   17.353
_cell_angle_gamma   17.353
_symmetry_Int_Tables_number   1
_cell_volume   199.887
_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  0.875  0.875  0.875  1.0
  Mn  Mn1  1  0.625  0.625  0.625  1.0
  Mn  Mn2  1  0.375  0.375  0.375  1.0
  Mn  Mn3  1  0.125  0.125  0.125  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.750  0.750  0.750  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Al  Al7  1  0.688  0.688  0.688  1.0
  Al  Al8  1  0.437  0.437  0.437  1.0
  Al  Al9  1  0.187  0.187  0.187  1.0
  Al  Al10  1  0.938  0.938  0.938  1.0
  V  V11  1  0.562  0.562  0.562  1.0
  V  V12  1  0.313  0.313  0.313  1.0
  V  V13  1  0.063  0.063  0.063  1.0
  V  V14  1  0.812  0.812  0.812  1.0
  V  V15  1  0.250  0.250  0.250  1.0
[/CIF]
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