The material structure described by Sr3Mg crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Sr(1), four equivalent Sr(2), four equivalent Sr(3), and two equivalent Mg(1) atoms to form distorted SrSr10Mg2 cuboctahedra that share corners with eight equivalent Sr(2)Sr8Mg4 cuboctahedra, corners with ten equivalent Sr(1)Sr10Mg2 cuboctahedra, edges with two equivalent Sr(1)Sr10Mg2 cuboctahedra, edges with four equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with eight equivalent Sr(3)Sr8Mg4 cuboctahedra, faces with four equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(2)Sr8Mg4 cuboctahedra, and faces with four equivalent Sr(3)Sr8Mg4 cuboctahedra. In the second Sr site, Sr(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), four equivalent Sr(1), and four equivalent Mg(1) atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with eight equivalent Sr(1)Sr10Mg2 cuboctahedra, corners with ten equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with two equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with four equivalent Sr(1)Sr10Mg2 cuboctahedra, edges with four equivalent Sr(3)Sr8Mg4 cuboctahedra, faces with four equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(2)Sr8Mg4 cuboctahedra, and faces with eight equivalent Sr(3)Sr8Mg4 cuboctahedra. In the third Sr site, Sr(3) is bonded to two equivalent Sr(2), two equivalent Sr(3), four equivalent Sr(1), and four equivalent Mg(1) atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with ten equivalent Sr(3)Sr8Mg4 cuboctahedra, edges with two equivalent Sr(3)Sr8Mg4 cuboctahedra, edges with four equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with eight equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(3)Sr8Mg4 cuboctahedra, and faces with eight equivalent Sr(2)Sr8Mg4 cuboctahedra. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), and four equivalent Sr(3) atoms. is represented by the CIF card [CIF]
data_Sr3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.219
_cell_length_b   6.362
_cell_length_c   6.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.891
_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
  Sr  Sr0  1  0.000  0.000  0.004  1.0
  Sr  Sr1  1  0.500  0.000  0.484  1.0
  Sr  Sr2  1  0.500  0.500  0.842  1.0
  Mg  Mg3  1  0.000  0.500  0.336  1.0
[/CIF]
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The material structure described by Sr3Mg crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Sr(1), four equivalent Sr(2), four equivalent Sr(3), and two equivalent Mg(1) atoms to form distorted SrSr10Mg2 cuboctahedra that share corners with eight equivalent Sr(2)Sr8Mg4 cuboctahedra, corners with ten equivalent Sr(1)Sr10Mg2 cuboctahedra, edges with two equivalent Sr(1)Sr10Mg2 cuboctahedra, edges with four equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with eight equivalent Sr(3)Sr8Mg4 cuboctahedra, faces with four equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(2)Sr8Mg4 cuboctahedra, and faces with four equivalent Sr(3)Sr8Mg4 cuboctahedra. In the second Sr site, Sr(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), four equivalent Sr(1), and four equivalent Mg(1) atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with eight equivalent Sr(1)Sr10Mg2 cuboctahedra, corners with ten equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with two equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with four equivalent Sr(1)Sr10Mg2 cuboctahedra, edges with four equivalent Sr(3)Sr8Mg4 cuboctahedra, faces with four equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(2)Sr8Mg4 cuboctahedra, and faces with eight equivalent Sr(3)Sr8Mg4 cuboctahedra. In the third Sr site, Sr(3) is bonded to two equivalent Sr(2), two equivalent Sr(3), four equivalent Sr(1), and four equivalent Mg(1) atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with ten equivalent Sr(3)Sr8Mg4 cuboctahedra, edges with two equivalent Sr(3)Sr8Mg4 cuboctahedra, edges with four equivalent Sr(2)Sr8Mg4 cuboctahedra, edges with eight equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(1)Sr10Mg2 cuboctahedra, faces with four equivalent Sr(3)Sr8Mg4 cuboctahedra, and faces with eight equivalent Sr(2)Sr8Mg4 cuboctahedra. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), four equivalent Sr(2), and four equivalent Sr(3) atoms. is represented by the CIF card [CIF]
data_Sr3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.219
_cell_length_b   6.362
_cell_length_c   6.815
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.891
_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
  Sr  Sr0  1  0.000  0.000  0.004  1.0
  Sr  Sr1  1  0.500  0.000  0.484  1.0
  Sr  Sr2  1  0.500  0.500  0.842  1.0
  Mg  Mg3  1  0.000  0.500  0.336  1.0
[/CIF]
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