The material described by Ce2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), six equivalent Ni(3), and six equivalent As(2) atoms. In the second Ce site, Ce(2) is bonded in a 15-coordinate geometry to three equivalent Ni(3), six equivalent Ni(1), and six equivalent As(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ce(1), two equivalent Ce(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiCe3As4 tetrahedra that share corners with four equivalent Ni(3)Ce3As4 tetrahedra, corners with four equivalent Ni(2)CeAs4 tetrahedra, corners with six equivalent Ni(1)Ce3As4 tetrahedra,  an edgeedge with one Ni(2)CeAs4 tetrahedra, edges with two equivalent Ni(1)Ce3As4 tetrahedra, edges with four equivalent Ni(3)Ce3As4 tetrahedra,  a faceface with one Ni(2)CeAs4 tetrahedra, faces with two equivalent Ni(1)Ce3As4 tetrahedra, and faces with two equivalent Ni(3)Ce3As4 tetrahedra. In the second Ni site, Ni(2) is bonded to one Ce(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiCeAs4 tetrahedra that share corners with two equivalent Ni(3)Ce3As4 tetrahedra, corners with four equivalent Ni(1)Ce3As4 tetrahedra, corners with six equivalent Ni(2)CeAs4 tetrahedra,  an edgeedge with one Ni(1)Ce3As4 tetrahedra, edges with two equivalent Ni(3)Ce3As4 tetrahedra,  a faceface with one Ni(1)Ce3As4 tetrahedra, and faces with two equivalent Ni(3)Ce3As4 tetrahedra. In the third Ni site, Ni(3) is bonded to one Ce(2), two equivalent Ce(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiCe3As4 tetrahedra that share corners with two equivalent Ni(2)CeAs4 tetrahedra, corners with four equivalent Ni(1)Ce3As4 tetrahedra, corners with six equivalent Ni(3)Ce3As4 tetrahedra, edges with two equivalent Ni(3)Ce3As4 tetrahedra, edges with two equivalent Ni(2)CeAs4 tetrahedra, edges with four equivalent Ni(1)Ce3As4 tetrahedra, faces with two equivalent Ni(1)Ce3As4 tetrahedra, faces with two equivalent Ni(3)Ce3As4 tetrahedra, and faces with two equivalent Ni(2)CeAs4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), one Ni(2), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to three equivalent Ni(2) and six equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.402
_cell_length_b   9.402
_cell_length_c   3.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   298.394
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.333  0.667  0.500  1.0
  Ni  Ni2  1  0.101  0.716  0.000  1.0
  Ni  Ni3  1  0.284  0.385  0.000  1.0
  Ni  Ni4  1  0.615  0.899  0.000  1.0
  Ni  Ni5  1  0.818  0.207  0.000  1.0
  Ni  Ni6  1  0.793  0.611  0.000  1.0
  Ni  Ni7  1  0.389  0.182  0.000  1.0
  Ni  Ni8  1  0.048  0.289  0.500  1.0
  Ni  Ni9  1  0.711  0.759  0.500  1.0
  Ni  Ni10  1  0.241  0.952  0.500  1.0
  Ni  Ni11  1  0.878  0.448  0.500  1.0
  Ni  Ni12  1  0.552  0.430  0.500  1.0
  Ni  Ni13  1  0.570  0.122  0.500  1.0
  As  As14  1  0.068  0.447  0.000  1.0
  As  As15  1  0.553  0.621  0.000  1.0
  As  As16  1  0.379  0.932  0.000  1.0
  As  As17  1  0.774  0.040  0.500  1.0
  As  As18  1  0.960  0.734  0.500  1.0
  As  As19  1  0.266  0.226  0.500  1.0
  As  As20  1  0.667  0.333  0.000  1.0
[/CIF]
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The material described by Ce2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), six equivalent Ni(3), and six equivalent As(2) atoms. In the second Ce site, Ce(2) is bonded in a 15-coordinate geometry to three equivalent Ni(3), six equivalent Ni(1), and six equivalent As(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ce(1), two equivalent Ce(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiCe3As4 tetrahedra that share corners with four equivalent Ni(3)Ce3As4 tetrahedra, corners with four equivalent Ni(2)CeAs4 tetrahedra, corners with six equivalent Ni(1)Ce3As4 tetrahedra,  an edgeedge with one Ni(2)CeAs4 tetrahedra, edges with two equivalent Ni(1)Ce3As4 tetrahedra, edges with four equivalent Ni(3)Ce3As4 tetrahedra,  a faceface with one Ni(2)CeAs4 tetrahedra, faces with two equivalent Ni(1)Ce3As4 tetrahedra, and faces with two equivalent Ni(3)Ce3As4 tetrahedra. In the second Ni site, Ni(2) is bonded to one Ce(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiCeAs4 tetrahedra that share corners with two equivalent Ni(3)Ce3As4 tetrahedra, corners with four equivalent Ni(1)Ce3As4 tetrahedra, corners with six equivalent Ni(2)CeAs4 tetrahedra,  an edgeedge with one Ni(1)Ce3As4 tetrahedra, edges with two equivalent Ni(3)Ce3As4 tetrahedra,  a faceface with one Ni(1)Ce3As4 tetrahedra, and faces with two equivalent Ni(3)Ce3As4 tetrahedra. In the third Ni site, Ni(3) is bonded to one Ce(2), two equivalent Ce(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiCe3As4 tetrahedra that share corners with two equivalent Ni(2)CeAs4 tetrahedra, corners with four equivalent Ni(1)Ce3As4 tetrahedra, corners with six equivalent Ni(3)Ce3As4 tetrahedra, edges with two equivalent Ni(3)Ce3As4 tetrahedra, edges with two equivalent Ni(2)CeAs4 tetrahedra, edges with four equivalent Ni(1)Ce3As4 tetrahedra, faces with two equivalent Ni(1)Ce3As4 tetrahedra, faces with two equivalent Ni(3)Ce3As4 tetrahedra, and faces with two equivalent Ni(2)CeAs4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to two equivalent Ce(2), one Ni(2), two equivalent Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. In the third As site, As(3) is bonded in a 9-coordinate geometry to three equivalent Ni(2) and six equivalent Ni(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.402
_cell_length_b   9.402
_cell_length_c   3.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   298.394
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Ce  Ce1  1  0.333  0.667  0.500  1.0
  Ni  Ni2  1  0.101  0.716  0.000  1.0
  Ni  Ni3  1  0.284  0.385  0.000  1.0
  Ni  Ni4  1  0.615  0.899  0.000  1.0
  Ni  Ni5  1  0.818  0.207  0.000  1.0
  Ni  Ni6  1  0.793  0.611  0.000  1.0
  Ni  Ni7  1  0.389  0.182  0.000  1.0
  Ni  Ni8  1  0.048  0.289  0.500  1.0
  Ni  Ni9  1  0.711  0.759  0.500  1.0
  Ni  Ni10  1  0.241  0.952  0.500  1.0
  Ni  Ni11  1  0.878  0.448  0.500  1.0
  Ni  Ni12  1  0.552  0.430  0.500  1.0
  Ni  Ni13  1  0.570  0.122  0.500  1.0
  As  As14  1  0.068  0.447  0.000  1.0
  As  As15  1  0.553  0.621  0.000  1.0
  As  As16  1  0.379  0.932  0.000  1.0
  As  As17  1  0.774  0.040  0.500  1.0
  As  As18  1  0.960  0.734  0.500  1.0
  As  As19  1  0.266  0.226  0.500  1.0
  As  As20  1  0.667  0.333  0.000  1.0
[/CIF]
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