The compound described by Mg2Ni3P crystallizes in the trigonal R-3m space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), nine equivalent Ni(1), and three equivalent P(1) atoms. Ni(1) is bonded to six equivalent Mg(1), four equivalent Ni(1), and two equivalent P(1) atoms to form distorted NiMg6Ni4P2 cuboctahedra that share corners with four equivalent P(1)Mg6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Mg6Ni4P2 cuboctahedra, edges with six equivalent Ni(1)Mg6Ni4P2 cuboctahedra, faces with six equivalent P(1)Mg6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Mg6Ni4P2 cuboctahedra. P(1) is bonded to six equivalent Mg(1) and six equivalent Ni(1) atoms to form distorted PMg6Ni6 cuboctahedra that share corners with six equivalent P(1)Mg6Ni6 cuboctahedra, corners with twelve equivalent Ni(1)Mg6Ni4P2 cuboctahedra, edges with six equivalent P(1)Mg6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Mg6Ni4P2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Ni3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.580
_cell_length_b   4.580
_cell_length_c   4.580
_cell_angle_alpha   65.113
_cell_angle_beta   65.113
_cell_angle_gamma   65.113
_symmetry_Int_Tables_number   1
_cell_volume   75.498
_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
  Mg  Mg0  1  0.374  0.374  0.374  1.0
  Mg  Mg1  1  0.626  0.626  0.626  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  P  P5  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Mg2Ni3P crystallizes in the trigonal R-3m space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Mg(1), nine equivalent Ni(1), and three equivalent P(1) atoms. Ni(1) is bonded to six equivalent Mg(1), four equivalent Ni(1), and two equivalent P(1) atoms to form distorted NiMg6Ni4P2 cuboctahedra that share corners with four equivalent P(1)Mg6Ni6 cuboctahedra, corners with fourteen equivalent Ni(1)Mg6Ni4P2 cuboctahedra, edges with six equivalent Ni(1)Mg6Ni4P2 cuboctahedra, faces with six equivalent P(1)Mg6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Mg6Ni4P2 cuboctahedra. P(1) is bonded to six equivalent Mg(1) and six equivalent Ni(1) atoms to form distorted PMg6Ni6 cuboctahedra that share corners with six equivalent P(1)Mg6Ni6 cuboctahedra, corners with twelve equivalent Ni(1)Mg6Ni4P2 cuboctahedra, edges with six equivalent P(1)Mg6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Mg6Ni4P2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Ni3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.580
_cell_length_b   4.580
_cell_length_c   4.580
_cell_angle_alpha   65.113
_cell_angle_beta   65.113
_cell_angle_gamma   65.113
_symmetry_Int_Tables_number   1
_cell_volume   75.498
_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
  Mg  Mg0  1  0.374  0.374  0.374  1.0
  Mg  Mg1  1  0.626  0.626  0.626  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  P  P5  1  0.000  0.000  0.000  1.0
[/CIF]
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