The crystal structure described by Ca3Ni8In4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 14-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(4), two equivalent In(1), and four equivalent In(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(4), six equivalent Ni(3), and three equivalent In(2) atoms to form NiIn3Ni9 cuboctahedra that share corners with three equivalent Ni(4)Ca4In4Ni4 cuboctahedra, faces with two equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(3)Ca2In3Ni7 cuboctahedra, and faces with six equivalent Ni(4)Ca4In4Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one In(1), and three equivalent In(2) atoms. In the third Ni site, Ni(3) is bonded to two equivalent Ca(1), two equivalent Ni(1), two equivalent Ni(3), three equivalent Ni(4), and three equivalent In(2) atoms to form distorted NiCa2In3Ni7 cuboctahedra that share corners with four equivalent Ni(3)Ca2In3Ni7 cuboctahedra, corners with five equivalent Ni(4)Ca4In4Ni4 cuboctahedra, faces with two equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(3)Ca2In3Ni7 cuboctahedra, and faces with six equivalent Ni(4)Ca4In4Ni4 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to four equivalent Ca(1), one Ni(1), three equivalent Ni(3), one In(1), and three equivalent In(2) atoms to form distorted NiCa4In4Ni4 cuboctahedra that share  a cornercorner with one Ni(1)In3Ni9 cuboctahedra, corners with four equivalent Ni(4)Ca4In4Ni4 cuboctahedra, corners with five equivalent Ni(3)Ca2In3Ni7 cuboctahedra, faces with two equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(3)Ca2In3Ni7 cuboctahedra, and faces with eight equivalent Ni(4)Ca4In4Ni4 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one Ni(2), and three equivalent Ni(4) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to four equivalent Ca(1), one Ni(1), one Ni(2), three equivalent Ni(3), and three equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(InNi2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   8.926
_cell_length_c   7.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   515.209
_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
  Ca  Ca0  1  0.471  0.529  0.233  1.0
  Ca  Ca1  1  0.941  0.471  0.733  1.0
  Ca  Ca2  1  0.529  0.059  0.733  1.0
  Ca  Ca3  1  0.471  0.941  0.234  1.0
  Ca  Ca4  1  0.059  0.529  0.234  1.0
  Ca  Ca5  1  0.529  0.471  0.733  1.0
  In  In6  1  0.333  0.667  0.575  1.0
  In  In7  1  0.667  0.333  0.075  1.0
  In  In8  1  0.831  0.662  0.430  1.0
  In  In9  1  0.169  0.831  0.930  1.0
  In  In10  1  0.662  0.831  0.930  1.0
  In  In11  1  0.338  0.169  0.430  1.0
  In  In12  1  0.831  0.169  0.430  1.0
  In  In13  1  0.169  0.338  0.930  1.0
  Ni  Ni14  1  1.000  0.000  0.002  1.0
  Ni  Ni15  1  0.000  1.000  0.502  1.0
  Ni  Ni16  1  0.667  0.333  0.427  1.0
  Ni  Ni17  1  0.333  0.667  0.927  1.0
  Ni  Ni18  1  0.097  0.194  0.250  1.0
  Ni  Ni19  1  0.903  0.097  0.750  1.0
  Ni  Ni20  1  0.194  0.097  0.750  1.0
  Ni  Ni21  1  0.806  0.903  0.250  1.0
  Ni  Ni22  1  0.097  0.903  0.250  1.0
  Ni  Ni23  1  0.903  0.806  0.750  1.0
  Ni  Ni24  1  0.159  0.318  0.562  1.0
  Ni  Ni25  1  0.841  0.159  0.062  1.0
  Ni  Ni26  1  0.318  0.159  0.062  1.0
  Ni  Ni27  1  0.682  0.841  0.562  1.0
  Ni  Ni28  1  0.159  0.841  0.562  1.0
  Ni  Ni29  1  0.841  0.682  0.062  1.0
[/CIF]
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The crystal structure described by Ca3Ni8In4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 14-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(4), two equivalent In(1), and four equivalent In(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(4), six equivalent Ni(3), and three equivalent In(2) atoms to form NiIn3Ni9 cuboctahedra that share corners with three equivalent Ni(4)Ca4In4Ni4 cuboctahedra, faces with two equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(3)Ca2In3Ni7 cuboctahedra, and faces with six equivalent Ni(4)Ca4In4Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one In(1), and three equivalent In(2) atoms. In the third Ni site, Ni(3) is bonded to two equivalent Ca(1), two equivalent Ni(1), two equivalent Ni(3), three equivalent Ni(4), and three equivalent In(2) atoms to form distorted NiCa2In3Ni7 cuboctahedra that share corners with four equivalent Ni(3)Ca2In3Ni7 cuboctahedra, corners with five equivalent Ni(4)Ca4In4Ni4 cuboctahedra, faces with two equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(3)Ca2In3Ni7 cuboctahedra, and faces with six equivalent Ni(4)Ca4In4Ni4 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to four equivalent Ca(1), one Ni(1), three equivalent Ni(3), one In(1), and three equivalent In(2) atoms to form distorted NiCa4In4Ni4 cuboctahedra that share  a cornercorner with one Ni(1)In3Ni9 cuboctahedra, corners with four equivalent Ni(4)Ca4In4Ni4 cuboctahedra, corners with five equivalent Ni(3)Ca2In3Ni7 cuboctahedra, faces with two equivalent Ni(1)In3Ni9 cuboctahedra, faces with six equivalent Ni(3)Ca2In3Ni7 cuboctahedra, and faces with eight equivalent Ni(4)Ca4In4Ni4 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one Ni(2), and three equivalent Ni(4) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to four equivalent Ca(1), one Ni(1), one Ni(2), three equivalent Ni(3), and three equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(InNi2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.926
_cell_length_b   8.926
_cell_length_c   7.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   515.209
_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
  Ca  Ca0  1  0.471  0.529  0.233  1.0
  Ca  Ca1  1  0.941  0.471  0.733  1.0
  Ca  Ca2  1  0.529  0.059  0.733  1.0
  Ca  Ca3  1  0.471  0.941  0.234  1.0
  Ca  Ca4  1  0.059  0.529  0.234  1.0
  Ca  Ca5  1  0.529  0.471  0.733  1.0
  In  In6  1  0.333  0.667  0.575  1.0
  In  In7  1  0.667  0.333  0.075  1.0
  In  In8  1  0.831  0.662  0.430  1.0
  In  In9  1  0.169  0.831  0.930  1.0
  In  In10  1  0.662  0.831  0.930  1.0
  In  In11  1  0.338  0.169  0.430  1.0
  In  In12  1  0.831  0.169  0.430  1.0
  In  In13  1  0.169  0.338  0.930  1.0
  Ni  Ni14  1  1.000  0.000  0.002  1.0
  Ni  Ni15  1  0.000  1.000  0.502  1.0
  Ni  Ni16  1  0.667  0.333  0.427  1.0
  Ni  Ni17  1  0.333  0.667  0.927  1.0
  Ni  Ni18  1  0.097  0.194  0.250  1.0
  Ni  Ni19  1  0.903  0.097  0.750  1.0
  Ni  Ni20  1  0.194  0.097  0.750  1.0
  Ni  Ni21  1  0.806  0.903  0.250  1.0
  Ni  Ni22  1  0.097  0.903  0.250  1.0
  Ni  Ni23  1  0.903  0.806  0.750  1.0
  Ni  Ni24  1  0.159  0.318  0.562  1.0
  Ni  Ni25  1  0.841  0.159  0.062  1.0
  Ni  Ni26  1  0.318  0.159  0.062  1.0
  Ni  Ni27  1  0.682  0.841  0.562  1.0
  Ni  Ni28  1  0.159  0.841  0.562  1.0
  Ni  Ni29  1  0.841  0.682  0.062  1.0
[/CIF]
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