The compound described by SrCaMg6 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted SrMg12 cuboctahedra that share corners with six equivalent Sr(1)Mg12 cuboctahedra, faces with two equivalent Sr(1)Mg12 cuboctahedra, and faces with six equivalent Ca(1)Mg12 cuboctahedra. Ca(1) is bonded to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted CaMg12 cuboctahedra that share corners with six equivalent Ca(1)Mg12 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, and faces with six equivalent Sr(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Ca(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 Ca(1), two equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   6.893
_cell_length_c   6.893
_cell_angle_alpha   115.694
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   229.077
_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
  Ca  Ca0  1  0.000  0.104  0.896  1.0
  Mg  Mg1  1  0.000  0.623  0.947  1.0
  Mg  Mg2  1  0.000  0.053  0.377  1.0
  Mg  Mg3  1  0.000  0.591  0.409  1.0
  Mg  Mg4  1  0.500  0.875  0.554  1.0
  Mg  Mg5  1  0.500  0.446  0.125  1.0
  Mg  Mg6  1  0.500  0.915  0.085  1.0
  Sr  Sr7  1  0.500  0.394  0.606  1.0
[/CIF]
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The compound described by SrCaMg6 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted SrMg12 cuboctahedra that share corners with six equivalent Sr(1)Mg12 cuboctahedra, faces with two equivalent Sr(1)Mg12 cuboctahedra, and faces with six equivalent Ca(1)Mg12 cuboctahedra. Ca(1) is bonded to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted CaMg12 cuboctahedra that share corners with six equivalent Ca(1)Mg12 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, and faces with six equivalent Sr(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Ca(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 Ca(1), two equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.351
_cell_length_b   6.893
_cell_length_c   6.893
_cell_angle_alpha   115.694
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   229.077
_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
  Ca  Ca0  1  0.000  0.104  0.896  1.0
  Mg  Mg1  1  0.000  0.623  0.947  1.0
  Mg  Mg2  1  0.000  0.053  0.377  1.0
  Mg  Mg3  1  0.000  0.591  0.409  1.0
  Mg  Mg4  1  0.500  0.875  0.554  1.0
  Mg  Mg5  1  0.500  0.446  0.125  1.0
  Mg  Mg6  1  0.500  0.915  0.085  1.0
  Sr  Sr7  1  0.500  0.394  0.606  1.0
[/CIF]
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