The structure described by Y2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y(1), two equivalent Y(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiY3As4 tetrahedra that share corners with four equivalent Ni(3)Y3As4 tetrahedra, corners with four equivalent Ni(2)YAs4 tetrahedra, corners with six equivalent Ni(1)Y3As4 tetrahedra,  an edgeedge with one Ni(2)YAs4 tetrahedra, edges with two equivalent Ni(1)Y3As4 tetrahedra, edges with four equivalent Ni(3)Y3As4 tetrahedra,  a faceface with one Ni(2)YAs4 tetrahedra, faces with two equivalent Ni(1)Y3As4 tetrahedra, and faces with two equivalent Ni(3)Y3As4 tetrahedra. In the second Ni site, Ni(2) is bonded to one Y(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiYAs4 tetrahedra that share corners with two equivalent Ni(3)Y3As4 tetrahedra, corners with four equivalent Ni(1)Y3As4 tetrahedra, corners with six equivalent Ni(2)YAs4 tetrahedra,  an edgeedge with one Ni(1)Y3As4 tetrahedra, edges with two equivalent Ni(3)Y3As4 tetrahedra,  a faceface with one Ni(1)Y3As4 tetrahedra, and faces with two equivalent Ni(3)Y3As4 tetrahedra. In the third Ni site, Ni(3) is bonded to one Y(2), two equivalent Y(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiY3As4 tetrahedra that share corners with two equivalent Ni(2)YAs4 tetrahedra, corners with four equivalent Ni(1)Y3As4 tetrahedra, corners with six equivalent Ni(3)Y3As4 tetrahedra, edges with two equivalent Ni(3)Y3As4 tetrahedra, edges with two equivalent Ni(2)YAs4 tetrahedra, edges with four equivalent Ni(1)Y3As4 tetrahedra, faces with two equivalent Ni(1)Y3As4 tetrahedra, faces with two equivalent Ni(3)Y3As4 tetrahedra, and faces with two equivalent Ni(2)YAs4 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 Y(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 Y(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 CIF card [CIF]
data_Y2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.353
_cell_length_b   9.353
_cell_length_c   3.824
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   289.693
_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
  Y  Y0  1  0.667  0.333  0.000  1.0
  Y  Y1  1  0.333  0.667  0.500  1.0
  Ni  Ni2  1  0.055  0.619  0.000  1.0
  Ni  Ni3  1  0.564  0.945  0.000  1.0
  Ni  Ni4  1  0.381  0.436  0.000  1.0
  Ni  Ni5  1  0.279  0.126  0.000  1.0
  Ni  Ni6  1  0.847  0.721  0.000  1.0
  Ni  Ni7  1  0.874  0.153  0.000  1.0
  Ni  Ni8  1  0.426  0.047  0.500  1.0
  Ni  Ni9  1  0.621  0.574  0.500  1.0
  Ni  Ni10  1  0.953  0.379  0.500  1.0
  Ni  Ni11  1  0.096  0.885  0.500  1.0
  Ni  Ni12  1  0.789  0.904  0.500  1.0
  Ni  Ni13  1  0.115  0.211  0.500  1.0
  As  As14  1  0.287  0.883  0.000  1.0
  As  As15  1  0.596  0.713  0.000  1.0
  As  As16  1  0.117  0.404  0.000  1.0
  As  As17  1  0.406  0.296  0.500  1.0
  As  As18  1  0.890  0.594  0.500  1.0
  As  As19  1  0.704  0.110  0.500  1.0
  As  As20  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Y2Ni12As7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y(1), two equivalent Y(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiY3As4 tetrahedra that share corners with four equivalent Ni(3)Y3As4 tetrahedra, corners with four equivalent Ni(2)YAs4 tetrahedra, corners with six equivalent Ni(1)Y3As4 tetrahedra,  an edgeedge with one Ni(2)YAs4 tetrahedra, edges with two equivalent Ni(1)Y3As4 tetrahedra, edges with four equivalent Ni(3)Y3As4 tetrahedra,  a faceface with one Ni(2)YAs4 tetrahedra, faces with two equivalent Ni(1)Y3As4 tetrahedra, and faces with two equivalent Ni(3)Y3As4 tetrahedra. In the second Ni site, Ni(2) is bonded to one Y(1), one As(1), one As(3), and two equivalent As(2) atoms to form distorted NiYAs4 tetrahedra that share corners with two equivalent Ni(3)Y3As4 tetrahedra, corners with four equivalent Ni(1)Y3As4 tetrahedra, corners with six equivalent Ni(2)YAs4 tetrahedra,  an edgeedge with one Ni(1)Y3As4 tetrahedra, edges with two equivalent Ni(3)Y3As4 tetrahedra,  a faceface with one Ni(1)Y3As4 tetrahedra, and faces with two equivalent Ni(3)Y3As4 tetrahedra. In the third Ni site, Ni(3) is bonded to one Y(2), two equivalent Y(1), two equivalent As(1), and two equivalent As(2) atoms to form distorted NiY3As4 tetrahedra that share corners with two equivalent Ni(2)YAs4 tetrahedra, corners with four equivalent Ni(1)Y3As4 tetrahedra, corners with six equivalent Ni(3)Y3As4 tetrahedra, edges with two equivalent Ni(3)Y3As4 tetrahedra, edges with two equivalent Ni(2)YAs4 tetrahedra, edges with four equivalent Ni(1)Y3As4 tetrahedra, faces with two equivalent Ni(1)Y3As4 tetrahedra, faces with two equivalent Ni(3)Y3As4 tetrahedra, and faces with two equivalent Ni(2)YAs4 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 Y(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 Y(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 CIF card [CIF]
data_Y2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.353
_cell_length_b   9.353
_cell_length_c   3.824
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   289.693
_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
  Y  Y0  1  0.667  0.333  0.000  1.0
  Y  Y1  1  0.333  0.667  0.500  1.0
  Ni  Ni2  1  0.055  0.619  0.000  1.0
  Ni  Ni3  1  0.564  0.945  0.000  1.0
  Ni  Ni4  1  0.381  0.436  0.000  1.0
  Ni  Ni5  1  0.279  0.126  0.000  1.0
  Ni  Ni6  1  0.847  0.721  0.000  1.0
  Ni  Ni7  1  0.874  0.153  0.000  1.0
  Ni  Ni8  1  0.426  0.047  0.500  1.0
  Ni  Ni9  1  0.621  0.574  0.500  1.0
  Ni  Ni10  1  0.953  0.379  0.500  1.0
  Ni  Ni11  1  0.096  0.885  0.500  1.0
  Ni  Ni12  1  0.789  0.904  0.500  1.0
  Ni  Ni13  1  0.115  0.211  0.500  1.0
  As  As14  1  0.287  0.883  0.000  1.0
  As  As15  1  0.596  0.713  0.000  1.0
  As  As16  1  0.117  0.404  0.000  1.0
  As  As17  1  0.406  0.296  0.500  1.0
  As  As18  1  0.890  0.594  0.500  1.0
  As  As19  1  0.704  0.110  0.500  1.0
  As  As20  1  0.000  0.000  0.000  1.0
[/CIF]
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