The material described by BaSrMg6 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Sr(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form BaSr2Mg10 cuboctahedra that share corners with six equivalent Ba(1)Sr2Mg10 cuboctahedra, edges with four equivalent Sr(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Sr2Mg10 cuboctahedra, and faces with two equivalent Sr(1)Ba2Mg10 cuboctahedra. Sr(1) is bonded to two equivalent Ba(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form SrBa2Mg10 cuboctahedra that share corners with six equivalent Sr(1)Ba2Mg10 cuboctahedra, edges with four equivalent Ba(1)Sr2Mg10 cuboctahedra, faces with two equivalent Ba(1)Sr2Mg10 cuboctahedra, and faces with two equivalent Sr(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Mg(1), one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaSrMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   7.162
_cell_length_c   7.162
_cell_angle_alpha   119.350
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.560
_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
  Ba  Ba0  1  0.500  0.345  0.655  1.0
  Mg  Mg1  1  1.000  0.683  0.854  1.0
  Mg  Mg2  1  1.000  0.146  0.317  1.0
  Mg  Mg3  1  0.000  0.664  0.336  1.0
  Mg  Mg4  1  0.500  0.827  0.657  1.0
  Mg  Mg5  1  0.500  0.343  0.173  1.0
  Mg  Mg6  1  0.500  0.839  0.161  1.0
  Sr  Sr7  1  0.000  0.154  0.846  1.0
[/CIF]
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The material described by BaSrMg6 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Sr(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form BaSr2Mg10 cuboctahedra that share corners with six equivalent Ba(1)Sr2Mg10 cuboctahedra, edges with four equivalent Sr(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Sr2Mg10 cuboctahedra, and faces with two equivalent Sr(1)Ba2Mg10 cuboctahedra. Sr(1) is bonded to two equivalent Ba(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form SrBa2Mg10 cuboctahedra that share corners with six equivalent Sr(1)Ba2Mg10 cuboctahedra, edges with four equivalent Ba(1)Sr2Mg10 cuboctahedra, faces with two equivalent Ba(1)Sr2Mg10 cuboctahedra, and faces with two equivalent Sr(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Mg(1), one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaSrMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   7.162
_cell_length_c   7.162
_cell_angle_alpha   119.350
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.560
_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
  Ba  Ba0  1  0.500  0.345  0.655  1.0
  Mg  Mg1  1  1.000  0.683  0.854  1.0
  Mg  Mg2  1  1.000  0.146  0.317  1.0
  Mg  Mg3  1  0.000  0.664  0.336  1.0
  Mg  Mg4  1  0.500  0.827  0.657  1.0
  Mg  Mg5  1  0.500  0.343  0.173  1.0
  Mg  Mg6  1  0.500  0.839  0.161  1.0
  Sr  Sr7  1  0.000  0.154  0.846  1.0
[/CIF]
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