The material described by MgTa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Ta(1) atoms to form MgTa12 cuboctahedra that share corners with six equivalent Mg(1)Ta12 cuboctahedra, corners with twelve equivalent Ta(1)Mg4Ta8 cuboctahedra, edges with eighteen equivalent Ta(1)Mg4Ta8 cuboctahedra, faces with eight equivalent Mg(1)Ta12 cuboctahedra, and faces with twelve equivalent Ta(1)Mg4Ta8 cuboctahedra. Ta(1) is bonded to four equivalent Mg(1) and eight equivalent Ta(1) atoms to form TaMg4Ta8 cuboctahedra that share corners with four equivalent Mg(1)Ta12 cuboctahedra, corners with fourteen equivalent Ta(1)Mg4Ta8 cuboctahedra, edges with six equivalent Mg(1)Ta12 cuboctahedra, edges with twelve equivalent Ta(1)Mg4Ta8 cuboctahedra, faces with four equivalent Mg(1)Ta12 cuboctahedra, and faces with sixteen equivalent Ta(1)Mg4Ta8 cuboctahedra. is represented by the CIF card [CIF]
data_MgTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.952
_cell_length_c   4.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.396
_cell_formula_units_Z   2
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  0.667  0.333  0.250  1.0
  Mg  Mg1  1  0.333  0.667  0.750  1.0
  Ta  Ta2  1  0.162  0.325  0.250  1.0
  Ta  Ta3  1  0.162  0.838  0.250  1.0
  Ta  Ta4  1  0.675  0.838  0.250  1.0
  Ta  Ta5  1  0.325  0.162  0.750  1.0
  Ta  Ta6  1  0.838  0.162  0.750  1.0
  Ta  Ta7  1  0.838  0.675  0.750  1.0
[/CIF]
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The material described by MgTa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Ta(1) atoms to form MgTa12 cuboctahedra that share corners with six equivalent Mg(1)Ta12 cuboctahedra, corners with twelve equivalent Ta(1)Mg4Ta8 cuboctahedra, edges with eighteen equivalent Ta(1)Mg4Ta8 cuboctahedra, faces with eight equivalent Mg(1)Ta12 cuboctahedra, and faces with twelve equivalent Ta(1)Mg4Ta8 cuboctahedra. Ta(1) is bonded to four equivalent Mg(1) and eight equivalent Ta(1) atoms to form TaMg4Ta8 cuboctahedra that share corners with four equivalent Mg(1)Ta12 cuboctahedra, corners with fourteen equivalent Ta(1)Mg4Ta8 cuboctahedra, edges with six equivalent Mg(1)Ta12 cuboctahedra, edges with twelve equivalent Ta(1)Mg4Ta8 cuboctahedra, faces with four equivalent Mg(1)Ta12 cuboctahedra, and faces with sixteen equivalent Ta(1)Mg4Ta8 cuboctahedra. is represented by the CIF card [CIF]
data_MgTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.952
_cell_length_c   4.837
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   148.396
_cell_formula_units_Z   2
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  0.667  0.333  0.250  1.0
  Mg  Mg1  1  0.333  0.667  0.750  1.0
  Ta  Ta2  1  0.162  0.325  0.250  1.0
  Ta  Ta3  1  0.162  0.838  0.250  1.0
  Ta  Ta4  1  0.675  0.838  0.250  1.0
  Ta  Ta5  1  0.325  0.162  0.750  1.0
  Ta  Ta6  1  0.838  0.162  0.750  1.0
  Ta  Ta7  1  0.838  0.675  0.750  1.0
[/CIF]
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