The material described by TiNi2Cu is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmn space group. Ti(1) is bonded to eight equivalent Ni(1) and four equivalent Cu(1) atoms to form TiCu4Ni8 cuboctahedra that share corners with two equivalent Ti(1)Cu4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, corners with eight equivalent Cu(1)Ti4Ni8 cuboctahedra, edges with six equivalent Ti(1)Cu4Ni8 cuboctahedra, edges with twelve equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, faces with six equivalent Ti(1)Cu4Ni8 cuboctahedra, faces with six equivalent Cu(1)Ti4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra. Ni(1) is bonded to four equivalent Ti(1), four equivalent Ni(1), and four equivalent Cu(1) atoms to form distorted NiTi4Cu4Ni4 cuboctahedra that share corners with four equivalent Ti(1)Cu4Ni8 cuboctahedra, corners with four equivalent Cu(1)Ti4Ni8 cuboctahedra, corners with ten equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, edges with six equivalent Ti(1)Cu4Ni8 cuboctahedra, edges with six equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, edges with six equivalent Cu(1)Ti4Ni8 cuboctahedra, faces with four equivalent Ti(1)Cu4Ni8 cuboctahedra, faces with four equivalent Cu(1)Ti4Ni8 cuboctahedra, and faces with twelve equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra. Cu(1) is bonded to four equivalent Ti(1) and eight equivalent Ni(1) atoms to form CuTi4Ni8 cuboctahedra that share corners with two equivalent Cu(1)Ti4Ni8 cuboctahedra, corners with eight equivalent Ti(1)Cu4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, edges with six equivalent Cu(1)Ti4Ni8 cuboctahedra, edges with twelve equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, faces with six equivalent Ti(1)Cu4Ni8 cuboctahedra, faces with six equivalent Cu(1)Ti4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_TiCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.230
_cell_length_b   4.424
_cell_length_c   5.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.950
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.500  0.667  0.500  1.0
  Ti  Ti1  1  0.000  0.333  0.000  1.0
  Cu  Cu2  1  0.000  0.312  0.500  1.0
  Cu  Cu3  1  0.500  0.688  0.000  1.0
  Ni  Ni4  1  0.500  0.171  0.749  1.0
  Ni  Ni5  1  0.500  0.171  0.251  1.0
  Ni  Ni6  1  0.000  0.829  0.751  1.0
  Ni  Ni7  1  0.000  0.829  0.249  1.0
[/CIF]
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The material described by TiNi2Cu is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmn space group. Ti(1) is bonded to eight equivalent Ni(1) and four equivalent Cu(1) atoms to form TiCu4Ni8 cuboctahedra that share corners with two equivalent Ti(1)Cu4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, corners with eight equivalent Cu(1)Ti4Ni8 cuboctahedra, edges with six equivalent Ti(1)Cu4Ni8 cuboctahedra, edges with twelve equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, faces with six equivalent Ti(1)Cu4Ni8 cuboctahedra, faces with six equivalent Cu(1)Ti4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra. Ni(1) is bonded to four equivalent Ti(1), four equivalent Ni(1), and four equivalent Cu(1) atoms to form distorted NiTi4Cu4Ni4 cuboctahedra that share corners with four equivalent Ti(1)Cu4Ni8 cuboctahedra, corners with four equivalent Cu(1)Ti4Ni8 cuboctahedra, corners with ten equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, edges with six equivalent Ti(1)Cu4Ni8 cuboctahedra, edges with six equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, edges with six equivalent Cu(1)Ti4Ni8 cuboctahedra, faces with four equivalent Ti(1)Cu4Ni8 cuboctahedra, faces with four equivalent Cu(1)Ti4Ni8 cuboctahedra, and faces with twelve equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra. Cu(1) is bonded to four equivalent Ti(1) and eight equivalent Ni(1) atoms to form CuTi4Ni8 cuboctahedra that share corners with two equivalent Cu(1)Ti4Ni8 cuboctahedra, corners with eight equivalent Ti(1)Cu4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, edges with six equivalent Cu(1)Ti4Ni8 cuboctahedra, edges with twelve equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra, faces with six equivalent Ti(1)Cu4Ni8 cuboctahedra, faces with six equivalent Cu(1)Ti4Ni8 cuboctahedra, and faces with eight equivalent Ni(1)Ti4Cu4Ni4 cuboctahedra. is represented by the CIF card [CIF]
data_TiCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.230
_cell_length_b   4.424
_cell_length_c   5.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.950
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.500  0.667  0.500  1.0
  Ti  Ti1  1  0.000  0.333  0.000  1.0
  Cu  Cu2  1  0.000  0.312  0.500  1.0
  Cu  Cu3  1  0.500  0.688  0.000  1.0
  Ni  Ni4  1  0.500  0.171  0.749  1.0
  Ni  Ni5  1  0.500  0.171  0.251  1.0
  Ni  Ni6  1  0.000  0.829  0.751  1.0
  Ni  Ni7  1  0.000  0.829  0.249  1.0
[/CIF]
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