The material structure described by MnCuIn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Cu(1); four equivalent Cu(2); two In(2,2); and four equivalent In(1) atoms to form distorted MnIn6Cu6 cuboctahedra that share corners with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Mn(1)In6Cu6 cuboctahedra, edges with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Mn(2); two equivalent Mn(3); two equivalent Cu(1); two equivalent In(1); and four In(2,2,2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, corners with six equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with two equivalent Mn(1)In6Cu6 cuboctahedra, faces with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra. In the third Mn site, Mn(3) is bonded to four equivalent Mn(2); two equivalent Cu(1); two equivalent In(1); and four In(2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with two equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, edges with four equivalent Mn(1)In6Cu6 cuboctahedra, faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, and faces with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mn(1); one Mn(3); two equivalent Mn(2); two equivalent Cu(2); three equivalent In(1); and three In(2,2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Mn(1); two equivalent Cu(1); two equivalent Cu(2); two In(2,2); and four In(1,1) atoms to form distorted CuMn2In6Cu4 cuboctahedra that share corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, corners with six equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(1)In6Cu6 cuboctahedra, and faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra. There are six inequivalent In sites. In the first In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. In the second In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. In the third In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. In the fourth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. In the fifth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. In the sixth In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.258
_cell_length_c   7.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.581
_symmetry_Int_Tables_number   1
_cell_volume   185.948
_cell_formula_units_Z   4
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  0.830  0.170  0.000  1.0
  Mn  Mn1  1  0.171  0.336  0.500  1.0
  Mn  Mn2  1  0.664  0.829  0.500  1.0
  Mn  Mn3  1  0.169  0.831  0.500  1.0
  In  In4  1  0.334  0.666  0.184  1.0
  In  In5  1  0.668  0.332  0.309  1.0
  In  In6  1  0.668  0.332  0.691  1.0
  In  In7  1  0.334  0.666  0.816  1.0
  Cu  Cu8  1  0.997  0.003  0.246  1.0
  Cu  Cu9  1  0.997  0.003  0.754  1.0
  Cu  Cu10  1  0.831  0.663  0.000  1.0
  Cu  Cu11  1  0.337  0.169  0.000  1.0
[/CIF]
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The material structure described by MnCuIn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent Cu(1); four equivalent Cu(2); two In(2,2); and four equivalent In(1) atoms to form distorted MnIn6Cu6 cuboctahedra that share corners with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Mn(1)In6Cu6 cuboctahedra, edges with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra. In the second Mn site, Mn(2) is bonded to two equivalent Mn(2); two equivalent Mn(3); two equivalent Cu(1); two equivalent In(1); and four In(2,2,2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with four equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, corners with six equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with two equivalent Mn(1)In6Cu6 cuboctahedra, faces with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, faces with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, and faces with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra. In the third Mn site, Mn(3) is bonded to four equivalent Mn(2); two equivalent Cu(1); two equivalent In(1); and four In(2,2) atoms to form distorted MnMn4In6Cu2 cuboctahedra that share corners with two equivalent Mn(1)In6Cu6 cuboctahedra, corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with eight equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, edges with four equivalent Mn(1)In6Cu6 cuboctahedra, faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, and faces with eight equivalent Mn(2)Mn4In6Cu2 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Mn(1); one Mn(3); two equivalent Mn(2); two equivalent Cu(2); three equivalent In(1); and three In(2,2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Mn(1); two equivalent Cu(1); two equivalent Cu(2); two In(2,2); and four In(1,1) atoms to form distorted CuMn2In6Cu4 cuboctahedra that share corners with four equivalent Mn(3)Mn4In6Cu2 cuboctahedra, corners with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra, corners with six equivalent Mn(2)Mn4In6Cu2 cuboctahedra, edges with two equivalent Cu(2)Mn2In6Cu4 cuboctahedra, edges with four equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(2)Mn4In6Cu2 cuboctahedra, faces with two equivalent Mn(3)Mn4In6Cu2 cuboctahedra, faces with four equivalent Mn(1)In6Cu6 cuboctahedra, and faces with four equivalent Cu(2)Mn2In6Cu4 cuboctahedra. There are six inequivalent In sites. In the first In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. In the second In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. In the third In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. In the fourth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1), two equivalent Mn(3), four equivalent Mn(2), two equivalent Cu(2), three equivalent Cu(1), one In(2), and three equivalent In(1) atoms. In the fifth In site, In(2) is bonded in a 16-coordinate geometry to one Mn(1); two equivalent Mn(3); four equivalent Mn(2); two equivalent Cu(2); three equivalent Cu(1); one In(2); and three In(1,1) atoms. In the sixth In site, In(1) is bonded in a 16-coordinate geometry to one Mn(3); two equivalent Mn(1); two equivalent Mn(2); three equivalent Cu(1); four equivalent Cu(2); one In(1); and three In(2,2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.258
_cell_length_b   5.258
_cell_length_c   7.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.581
_symmetry_Int_Tables_number   1
_cell_volume   185.948
_cell_formula_units_Z   4
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  0.830  0.170  0.000  1.0
  Mn  Mn1  1  0.171  0.336  0.500  1.0
  Mn  Mn2  1  0.664  0.829  0.500  1.0
  Mn  Mn3  1  0.169  0.831  0.500  1.0
  In  In4  1  0.334  0.666  0.184  1.0
  In  In5  1  0.668  0.332  0.309  1.0
  In  In6  1  0.668  0.332  0.691  1.0
  In  In7  1  0.334  0.666  0.816  1.0
  Cu  Cu8  1  0.997  0.003  0.246  1.0
  Cu  Cu9  1  0.997  0.003  0.754  1.0
  Cu  Cu10  1  0.831  0.663  0.000  1.0
  Cu  Cu11  1  0.337  0.169  0.000  1.0
[/CIF]
.