The crystal structure described by MgPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Pa(1) and eight equivalent Pa(2) atoms to form MgPa12 cuboctahedra that share corners with four equivalent Mg(1)Pa12 cuboctahedra, corners with eight equivalent Pa(1)Mg4Pa8 cuboctahedra, edges with eight equivalent Mg(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(2)Mg4Pa8 cuboctahedra, faces with four equivalent Mg(1)Pa12 cuboctahedra, faces with six equivalent Pa(1)Mg4Pa8 cuboctahedra, and faces with eight equivalent Pa(2)Mg4Pa8 cuboctahedra. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Mg(1) and eight equivalent Pa(2) atoms to form PaMg4Pa8 cuboctahedra that share corners with four equivalent Pa(1)Mg4Pa8 cuboctahedra, corners with eight equivalent Mg(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Mg4Pa8 cuboctahedra, edges with sixteen equivalent Pa(2)Mg4Pa8 cuboctahedra, faces with four equivalent Pa(1)Mg4Pa8 cuboctahedra, faces with six equivalent Mg(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(2)Mg4Pa8 cuboctahedra. In the second Pa site, Pa(2) is bonded to four equivalent Mg(1), four equivalent Pa(1), and four equivalent Pa(2) atoms to form PaMg4Pa8 cuboctahedra that share corners with twelve equivalent Pa(2)Mg4Pa8 cuboctahedra, edges with eight equivalent Mg(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Mg4Pa8 cuboctahedra, edges with eight equivalent Pa(2)Mg4Pa8 cuboctahedra, faces with four equivalent Mg(1)Pa12 cuboctahedra, faces with four equivalent Pa(1)Mg4Pa8 cuboctahedra, and faces with ten equivalent Pa(2)Mg4Pa8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgPa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   5.615
_cell_angle_alpha   131.812
_cell_angle_beta   131.812
_cell_angle_gamma   70.526
_symmetry_Int_Tables_number   1
_cell_volume   96.360
_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  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.500  0.500  0.000  1.0
  Pa  Pa2  1  0.750  0.250  0.500  1.0
  Pa  Pa3  1  0.250  0.750  0.500  1.0
[/CIF]
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The crystal structure described by MgPa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Pa(1) and eight equivalent Pa(2) atoms to form MgPa12 cuboctahedra that share corners with four equivalent Mg(1)Pa12 cuboctahedra, corners with eight equivalent Pa(1)Mg4Pa8 cuboctahedra, edges with eight equivalent Mg(1)Pa12 cuboctahedra, edges with sixteen equivalent Pa(2)Mg4Pa8 cuboctahedra, faces with four equivalent Mg(1)Pa12 cuboctahedra, faces with six equivalent Pa(1)Mg4Pa8 cuboctahedra, and faces with eight equivalent Pa(2)Mg4Pa8 cuboctahedra. There are two inequivalent Pa sites. In the first Pa site, Pa(1) is bonded to four equivalent Mg(1) and eight equivalent Pa(2) atoms to form PaMg4Pa8 cuboctahedra that share corners with four equivalent Pa(1)Mg4Pa8 cuboctahedra, corners with eight equivalent Mg(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Mg4Pa8 cuboctahedra, edges with sixteen equivalent Pa(2)Mg4Pa8 cuboctahedra, faces with four equivalent Pa(1)Mg4Pa8 cuboctahedra, faces with six equivalent Mg(1)Pa12 cuboctahedra, and faces with eight equivalent Pa(2)Mg4Pa8 cuboctahedra. In the second Pa site, Pa(2) is bonded to four equivalent Mg(1), four equivalent Pa(1), and four equivalent Pa(2) atoms to form PaMg4Pa8 cuboctahedra that share corners with twelve equivalent Pa(2)Mg4Pa8 cuboctahedra, edges with eight equivalent Mg(1)Pa12 cuboctahedra, edges with eight equivalent Pa(1)Mg4Pa8 cuboctahedra, edges with eight equivalent Pa(2)Mg4Pa8 cuboctahedra, faces with four equivalent Mg(1)Pa12 cuboctahedra, faces with four equivalent Pa(1)Mg4Pa8 cuboctahedra, and faces with ten equivalent Pa(2)Mg4Pa8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgPa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   5.615
_cell_angle_alpha   131.812
_cell_angle_beta   131.812
_cell_angle_gamma   70.526
_symmetry_Int_Tables_number   1
_cell_volume   96.360
_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  0.000  0.000  0.000  1.0
  Pa  Pa1  1  0.500  0.500  0.000  1.0
  Pa  Pa2  1  0.750  0.250  0.500  1.0
  Pa  Pa3  1  0.250  0.750  0.500  1.0
[/CIF]
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