The structure described by Lu2Ni12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Ni(3), six equivalent Ni(2), and six equivalent P(1) atoms. In the second Lu site, Lu(2) is bonded in a 15-coordinate geometry to three equivalent Ni(2), six equivalent Ni(3), and six equivalent P(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Lu(1), one P(2), one P(3), and two equivalent P(1) atoms to form distorted NiLuP4 tetrahedra that share corners with two equivalent Ni(2)Lu3P4 tetrahedra, corners with six equivalent Ni(1)LuP4 tetrahedra, edges with two equivalent Ni(2)Lu3P4 tetrahedra, and faces with two equivalent Ni(2)Lu3P4 tetrahedra. In the second Ni site, Ni(2) is bonded to one Lu(2), two equivalent Lu(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted NiLu3P4 tetrahedra that share corners with two equivalent Ni(1)LuP4 tetrahedra, corners with six equivalent Ni(2)Lu3P4 tetrahedra, edges with two equivalent Ni(2)Lu3P4 tetrahedra, edges with two equivalent Ni(1)LuP4 tetrahedra, faces with two equivalent Ni(2)Lu3P4 tetrahedra, and faces with two equivalent Ni(1)LuP4 tetrahedra. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Lu(1), two equivalent Lu(2), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Lu(2), one Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Ni(1) and six equivalent Ni(4) atoms. is represented by the CIF file [CIF]
data_Lu2Ni12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.935
_cell_length_b   8.935
_cell_length_c   3.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   250.996
_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
  Lu  Lu0  1  0.333  0.667  0.000  1.0
  Lu  Lu1  1  0.667  0.333  0.500  1.0
  Ni  Ni2  1  0.153  0.275  1.000  1.0
  Ni  Ni3  1  0.725  0.878  1.000  1.0
  Ni  Ni4  1  0.122  0.847  0.000  1.0
  Ni  Ni5  1  0.382  0.433  0.500  1.0
  Ni  Ni6  1  0.567  0.949  0.500  1.0
  Ni  Ni7  1  0.051  0.618  0.500  1.0
  Ni  Ni8  1  0.435  0.063  0.000  1.0
  Ni  Ni9  1  0.937  0.372  1.000  1.0
  Ni  Ni10  1  0.628  0.565  0.000  1.0
  Ni  Ni11  1  0.216  0.094  0.500  1.0
  Ni  Ni12  1  0.906  0.122  0.500  1.0
  Ni  Ni13  1  0.878  0.784  0.500  1.0
  P  P14  1  0.113  0.407  0.500  1.0
  P  P15  1  0.593  0.706  0.500  1.0
  P  P16  1  0.294  0.887  0.500  1.0
  P  P17  1  0.409  0.295  1.000  1.0
  P  P18  1  0.705  0.114  1.000  1.0
  P  P19  1  0.886  0.591  1.000  1.0
  P  P20  1  1.000  0.000  1.000  1.0
[/CIF]
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The structure described by Lu2Ni12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Ni(3), six equivalent Ni(2), and six equivalent P(1) atoms. In the second Lu site, Lu(2) is bonded in a 15-coordinate geometry to three equivalent Ni(2), six equivalent Ni(3), and six equivalent P(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Lu(1), one P(2), one P(3), and two equivalent P(1) atoms to form distorted NiLuP4 tetrahedra that share corners with two equivalent Ni(2)Lu3P4 tetrahedra, corners with six equivalent Ni(1)LuP4 tetrahedra, edges with two equivalent Ni(2)Lu3P4 tetrahedra, and faces with two equivalent Ni(2)Lu3P4 tetrahedra. In the second Ni site, Ni(2) is bonded to one Lu(2), two equivalent Lu(1), two equivalent P(1), and two equivalent P(2) atoms to form distorted NiLu3P4 tetrahedra that share corners with two equivalent Ni(1)LuP4 tetrahedra, corners with six equivalent Ni(2)Lu3P4 tetrahedra, edges with two equivalent Ni(2)Lu3P4 tetrahedra, edges with two equivalent Ni(1)LuP4 tetrahedra, faces with two equivalent Ni(2)Lu3P4 tetrahedra, and faces with two equivalent Ni(1)LuP4 tetrahedra. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Lu(1), two equivalent Lu(2), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Ni(4), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Ni(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Lu(2), one Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Ni(1) and six equivalent Ni(4) atoms. is represented by the CIF file [CIF]
data_Lu2Ni12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.935
_cell_length_b   8.935
_cell_length_c   3.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   250.996
_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
  Lu  Lu0  1  0.333  0.667  0.000  1.0
  Lu  Lu1  1  0.667  0.333  0.500  1.0
  Ni  Ni2  1  0.153  0.275  1.000  1.0
  Ni  Ni3  1  0.725  0.878  1.000  1.0
  Ni  Ni4  1  0.122  0.847  0.000  1.0
  Ni  Ni5  1  0.382  0.433  0.500  1.0
  Ni  Ni6  1  0.567  0.949  0.500  1.0
  Ni  Ni7  1  0.051  0.618  0.500  1.0
  Ni  Ni8  1  0.435  0.063  0.000  1.0
  Ni  Ni9  1  0.937  0.372  1.000  1.0
  Ni  Ni10  1  0.628  0.565  0.000  1.0
  Ni  Ni11  1  0.216  0.094  0.500  1.0
  Ni  Ni12  1  0.906  0.122  0.500  1.0
  Ni  Ni13  1  0.878  0.784  0.500  1.0
  P  P14  1  0.113  0.407  0.500  1.0
  P  P15  1  0.593  0.706  0.500  1.0
  P  P16  1  0.294  0.887  0.500  1.0
  P  P17  1  0.409  0.295  1.000  1.0
  P  P18  1  0.705  0.114  1.000  1.0
  P  P19  1  0.886  0.591  1.000  1.0
  P  P20  1  1.000  0.000  1.000  1.0
[/CIF]
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