The material described by MgAgSb crystallizes in the tetragonal I-4c2 space group. Mg(1) is bonded in a 8-coordinate geometry to one Ag(1), one Ag(2), two equivalent Ag(3), and four equivalent Sb(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Mg(1), two equivalent Ag(2), two equivalent Ag(3), and four equivalent Sb(1) atoms to form distorted corner-sharing AgMg4Ag4Sb4 cuboctahedra. In the second Ag site, Ag(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Ag(1), and four equivalent Sb(1) atoms. In the third Ag site, Ag(3) is bonded in a 9-coordinate geometry to four equivalent Mg(1), one Ag(1), and four equivalent Sb(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to four equivalent Mg(1), one Ag(1), one Ag(2), and two equivalent Ag(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.211
_cell_length_b   9.211
_cell_length_c   9.211
_cell_angle_alpha   90.583
_cell_angle_beta   119.664
_cell_angle_gamma   119.664
_symmetry_Int_Tables_number   1
_cell_volume   555.450
_cell_formula_units_Z   8
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  0.812  0.428  0.672  1.0
  Mg  Mg1  1  0.188  0.859  0.616  1.0
  Mg  Mg2  1  0.756  0.928  0.116  1.0
  Mg  Mg3  1  0.244  0.359  0.172  1.0
  Mg  Mg4  1  0.756  0.328  0.141  1.0
  Mg  Mg5  1  0.244  0.384  0.572  1.0
  Mg  Mg6  1  0.812  0.884  0.641  1.0
  Mg  Mg7  1  0.188  0.828  0.072  1.0
  Ag  Ag8  1  0.500  0.000  0.500  1.0
  Ag  Ag9  1  0.500  0.500  0.000  1.0
  Ag  Ag10  1  0.500  0.250  0.750  1.0
  Ag  Ag11  1  0.500  0.750  0.250  1.0
  Ag  Ag12  1  0.500  0.220  0.280  1.0
  Ag  Ag13  1  0.500  0.780  0.720  1.0
  Ag  Ag14  1  0.939  0.720  0.220  1.0
  Ag  Ag15  1  0.061  0.280  0.780  1.0
  Sb  Sb16  1  0.738  0.604  0.398  1.0
  Sb  Sb17  1  0.262  0.660  0.866  1.0
  Sb  Sb18  1  0.206  0.104  0.366  1.0
  Sb  Sb19  1  0.794  0.160  0.898  1.0
  Sb  Sb20  1  0.206  0.602  0.340  1.0
  Sb  Sb21  1  0.794  0.134  0.396  1.0
  Sb  Sb22  1  0.738  0.634  0.840  1.0
  Sb  Sb23  1  0.262  0.102  0.896  1.0
[/CIF]
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The material described by MgAgSb crystallizes in the tetragonal I-4c2 space group. Mg(1) is bonded in a 8-coordinate geometry to one Ag(1), one Ag(2), two equivalent Ag(3), and four equivalent Sb(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Mg(1), two equivalent Ag(2), two equivalent Ag(3), and four equivalent Sb(1) atoms to form distorted corner-sharing AgMg4Ag4Sb4 cuboctahedra. In the second Ag site, Ag(2) is bonded in a 8-coordinate geometry to four equivalent Mg(1), two equivalent Ag(1), and four equivalent Sb(1) atoms. In the third Ag site, Ag(3) is bonded in a 9-coordinate geometry to four equivalent Mg(1), one Ag(1), and four equivalent Sb(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to four equivalent Mg(1), one Ag(1), one Ag(2), and two equivalent Ag(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.211
_cell_length_b   9.211
_cell_length_c   9.211
_cell_angle_alpha   90.583
_cell_angle_beta   119.664
_cell_angle_gamma   119.664
_symmetry_Int_Tables_number   1
_cell_volume   555.450
_cell_formula_units_Z   8
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  0.812  0.428  0.672  1.0
  Mg  Mg1  1  0.188  0.859  0.616  1.0
  Mg  Mg2  1  0.756  0.928  0.116  1.0
  Mg  Mg3  1  0.244  0.359  0.172  1.0
  Mg  Mg4  1  0.756  0.328  0.141  1.0
  Mg  Mg5  1  0.244  0.384  0.572  1.0
  Mg  Mg6  1  0.812  0.884  0.641  1.0
  Mg  Mg7  1  0.188  0.828  0.072  1.0
  Ag  Ag8  1  0.500  0.000  0.500  1.0
  Ag  Ag9  1  0.500  0.500  0.000  1.0
  Ag  Ag10  1  0.500  0.250  0.750  1.0
  Ag  Ag11  1  0.500  0.750  0.250  1.0
  Ag  Ag12  1  0.500  0.220  0.280  1.0
  Ag  Ag13  1  0.500  0.780  0.720  1.0
  Ag  Ag14  1  0.939  0.720  0.220  1.0
  Ag  Ag15  1  0.061  0.280  0.780  1.0
  Sb  Sb16  1  0.738  0.604  0.398  1.0
  Sb  Sb17  1  0.262  0.660  0.866  1.0
  Sb  Sb18  1  0.206  0.104  0.366  1.0
  Sb  Sb19  1  0.794  0.160  0.898  1.0
  Sb  Sb20  1  0.206  0.602  0.340  1.0
  Sb  Sb21  1  0.794  0.134  0.396  1.0
  Sb  Sb22  1  0.738  0.634  0.840  1.0
  Sb  Sb23  1  0.262  0.102  0.896  1.0
[/CIF]
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