The crystal structure described by SrMg6Zr crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form SrMg12 cuboctahedra that share corners with four equivalent Sr(1)Mg12 cuboctahedra, corners with eight equivalent Zr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, faces with two equivalent Sr(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, and faces with four equivalent Zr(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sr(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Zr(1) atoms to form distorted MgSr2Mg8Zr2 cuboctahedra that share corners with twelve equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, edges with four equivalent Sr(1)Mg12 cuboctahedra, edges with four equivalent Zr(1)Mg12 cuboctahedra, faces with two equivalent Sr(1)Mg12 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Sr(1), one Mg(3), one Mg(4), four equivalent Mg(1), and two equivalent Zr(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. Zr(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form ZrMg12 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra, corners with eight equivalent Sr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, faces with four equivalent Sr(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMg6Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   6.586
_cell_length_c   4.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.084
_symmetry_Int_Tables_number   1
_cell_volume   206.239
_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  0.371  0.629  0.500  1.0
  Mg  Mg1  1  0.380  0.129  0.500  1.0
  Mg  Mg2  1  0.871  0.620  0.500  1.0
  Mg  Mg3  1  0.104  0.353  0.000  1.0
  Mg  Mg4  1  0.647  0.896  0.000  1.0
  Mg  Mg5  1  0.644  0.356  0.000  1.0
  Mg  Mg6  1  0.105  0.895  0.000  1.0
  Zr  Zr7  1  0.877  0.123  0.500  1.0
[/CIF]
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The crystal structure described by SrMg6Zr crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form SrMg12 cuboctahedra that share corners with four equivalent Sr(1)Mg12 cuboctahedra, corners with eight equivalent Zr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, faces with two equivalent Sr(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, and faces with four equivalent Zr(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Sr(1), two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(2), and two equivalent Zr(1) atoms to form distorted MgSr2Mg8Zr2 cuboctahedra that share corners with twelve equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, edges with four equivalent Sr(1)Mg12 cuboctahedra, edges with four equivalent Zr(1)Mg12 cuboctahedra, faces with two equivalent Sr(1)Mg12 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Sr(1), one Mg(3), one Mg(4), four equivalent Mg(1), and two equivalent Zr(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and two equivalent Zr(1) atoms. Zr(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form ZrMg12 cuboctahedra that share corners with four equivalent Zr(1)Mg12 cuboctahedra, corners with eight equivalent Sr(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra, faces with two equivalent Zr(1)Mg12 cuboctahedra, faces with four equivalent Sr(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Sr2Mg8Zr2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMg6Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   6.586
_cell_length_c   4.756
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.084
_symmetry_Int_Tables_number   1
_cell_volume   206.239
_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  0.371  0.629  0.500  1.0
  Mg  Mg1  1  0.380  0.129  0.500  1.0
  Mg  Mg2  1  0.871  0.620  0.500  1.0
  Mg  Mg3  1  0.104  0.353  0.000  1.0
  Mg  Mg4  1  0.647  0.896  0.000  1.0
  Mg  Mg5  1  0.644  0.356  0.000  1.0
  Mg  Mg6  1  0.105  0.895  0.000  1.0
  Zr  Zr7  1  0.877  0.123  0.500  1.0
[/CIF]
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