The compound described by Mn3Ni9Ga4 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to eight equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(3) atoms to form MnGa4Ni8 cuboctahedra that share corners with four equivalent Mn(1)Ga4Ni8 cuboctahedra, corners with eight equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with four equivalent Mn(2)Ga4Ni8 cuboctahedra, edges with four equivalent Ni(2)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ga(2)Mn2Ni10 cuboctahedra, faces with two equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with two equivalent Ga(3)Mn4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the second Mn site, Mn(2) is bonded to eight equivalent Ni(1) and four equivalent Ga(2) atoms to form MnGa4Ni8 cuboctahedra that share corners with four equivalent Mn(2)Ga4Ni8 cuboctahedra, corners with eight equivalent Ga(3)Mn4Ni8 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with four equivalent Ni(2)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mn(2), two equivalent Mn(1), one Ni(2), four equivalent Ni(1), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NiMn3Ga4Ni5 cuboctahedra that share corners with twelve equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, edges with two equivalent Mn(2)Ga4Ni8 cuboctahedra, edges with two equivalent Ni(2)Ga4Ni8 cuboctahedra, edges with two equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with two equivalent Ga(3)Mn4Ni8 cuboctahedra, edges with four equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra,  a faceface with one Mn(2)Ga4Ni8 cuboctahedra,  a faceface with one Ni(2)Ga4Ni8 cuboctahedra,  a faceface with one Ga(1)Mn4Ni8 cuboctahedra,  a faceface with one Ga(3)Mn4Ni8 cuboctahedra, faces with two equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with two equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with ten equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the second Ni site, Ni(2) is bonded to eight equivalent Ni(1) and four equivalent Ga(2) atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Ga4Ni8 cuboctahedra, corners with eight equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ga(3)Mn4Ni8 cuboctahedra, faces with four equivalent Mn(2)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mn(1) and eight equivalent Ni(1) atoms to form GaMn4Ni8 cuboctahedra that share corners with four equivalent Ga(1)Mn4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Mn(2)Ga4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(3)Mn4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Mn(2), two equivalent Ni(2), and eight equivalent Ni(1) atoms to form GaMn2Ni10 cuboctahedra that share corners with four equivalent Ga(2)Mn2Ni10 cuboctahedra, corners with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with four equivalent Ga(3)Mn4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with two equivalent Mn(2)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(2)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Mn(1) and eight equivalent Ni(1) atoms to form GaMn4Ni8 cuboctahedra that share corners with four equivalent Ga(3)Mn4Ni8 cuboctahedra, corners with eight equivalent Mn(2)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ni(2)Ga4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Mn4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ga4Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   5.293
_cell_length_c   6.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.708
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.000  0.500  1.0
  Ga  Ga6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.248  0.248  0.250  1.0
  Ni  Ni8  1  0.248  0.752  0.750  1.0
  Ni  Ni9  1  0.752  0.248  0.750  1.0
  Ni  Ni10  1  0.752  0.752  0.250  1.0
  Ni  Ni11  1  0.248  0.248  0.750  1.0
  Ni  Ni12  1  0.248  0.752  0.250  1.0
  Ni  Ni13  1  0.752  0.248  0.250  1.0
  Ni  Ni14  1  0.752  0.752  0.750  1.0
  Ni  Ni15  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Mn3Ni9Ga4 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to eight equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(3) atoms to form MnGa4Ni8 cuboctahedra that share corners with four equivalent Mn(1)Ga4Ni8 cuboctahedra, corners with eight equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with four equivalent Mn(2)Ga4Ni8 cuboctahedra, edges with four equivalent Ni(2)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ga(2)Mn2Ni10 cuboctahedra, faces with two equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with two equivalent Ga(3)Mn4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the second Mn site, Mn(2) is bonded to eight equivalent Ni(1) and four equivalent Ga(2) atoms to form MnGa4Ni8 cuboctahedra that share corners with four equivalent Mn(2)Ga4Ni8 cuboctahedra, corners with eight equivalent Ga(3)Mn4Ni8 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ga(1)Mn4Ni8 cuboctahedra, faces with four equivalent Ni(2)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Mn(2), two equivalent Mn(1), one Ni(2), four equivalent Ni(1), one Ga(1), one Ga(3), and two equivalent Ga(2) atoms to form distorted NiMn3Ga4Ni5 cuboctahedra that share corners with twelve equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, edges with two equivalent Mn(2)Ga4Ni8 cuboctahedra, edges with two equivalent Ni(2)Ga4Ni8 cuboctahedra, edges with two equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with two equivalent Ga(3)Mn4Ni8 cuboctahedra, edges with four equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra,  a faceface with one Mn(2)Ga4Ni8 cuboctahedra,  a faceface with one Ni(2)Ga4Ni8 cuboctahedra,  a faceface with one Ga(1)Mn4Ni8 cuboctahedra,  a faceface with one Ga(3)Mn4Ni8 cuboctahedra, faces with two equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with two equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with ten equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the second Ni site, Ni(2) is bonded to eight equivalent Ni(1) and four equivalent Ga(2) atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Ga4Ni8 cuboctahedra, corners with eight equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ga(3)Mn4Ni8 cuboctahedra, faces with four equivalent Mn(2)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Mn(1) and eight equivalent Ni(1) atoms to form GaMn4Ni8 cuboctahedra that share corners with four equivalent Ga(1)Mn4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Mn(2)Ga4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(3)Mn4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Mn(2), two equivalent Ni(2), and eight equivalent Ni(1) atoms to form GaMn2Ni10 cuboctahedra that share corners with four equivalent Ga(2)Mn2Ni10 cuboctahedra, corners with eight equivalent Mn(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ga(1)Mn4Ni8 cuboctahedra, edges with four equivalent Ga(3)Mn4Ni8 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with two equivalent Mn(2)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(2)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(2)Mn2Ni10 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. In the third Ga site, Ga(3) is bonded to four equivalent Mn(1) and eight equivalent Ni(1) atoms to form GaMn4Ni8 cuboctahedra that share corners with four equivalent Ga(3)Mn4Ni8 cuboctahedra, corners with eight equivalent Mn(2)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(2)Mn2Ni10 cuboctahedra, edges with sixteen equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra, faces with two equivalent Ni(2)Ga4Ni8 cuboctahedra, faces with four equivalent Mn(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Mn4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Mn3Ga4Ni5 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ga4Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.293
_cell_length_b   5.293
_cell_length_c   6.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.708
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Ga  Ga4  1  0.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.000  0.500  1.0
  Ga  Ga6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.248  0.248  0.250  1.0
  Ni  Ni8  1  0.248  0.752  0.750  1.0
  Ni  Ni9  1  0.752  0.248  0.750  1.0
  Ni  Ni10  1  0.752  0.752  0.250  1.0
  Ni  Ni11  1  0.248  0.248  0.750  1.0
  Ni  Ni12  1  0.248  0.752  0.250  1.0
  Ni  Ni13  1  0.752  0.248  0.250  1.0
  Ni  Ni14  1  0.752  0.752  0.750  1.0
  Ni  Ni15  1  0.500  0.500  0.500  1.0
[/CIF]
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