The material described by SrMg3O4 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Sr(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mg site, Mg(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Mg(2), and four equivalent Mg(1) atoms to form OSrMg5 octahedra that share corners with six equivalent O(1)SrMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(2)Sr4Mg2 octahedra, and edges with four equivalent O(1)SrMg5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mg(1) atoms to form OSr4Mg2 octahedra that share corners with two equivalent O(3)Mg6 octahedra, corners with four equivalent O(2)Sr4Mg2 octahedra, edges with four equivalent O(2)Sr4Mg2 octahedra, and edges with eight equivalent O(1)SrMg5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Mg(1) and four equivalent Mg(2) atoms to form OMg6 octahedra that share corners with two equivalent O(2)Sr4Mg2 octahedra, corners with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)SrMg5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_SrMg3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.301
_cell_length_b   3.301
_cell_length_c   8.980
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.877
_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  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.728  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.500  0.500  0.272  1.0
  O  O4  1  0.000  0.000  0.275  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.725  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by SrMg3O4 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra, corners with four equivalent Sr(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mg site, Mg(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Sr(1)O6 octahedra, corners with four equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Mg(2), and four equivalent Mg(1) atoms to form OSrMg5 octahedra that share corners with six equivalent O(1)SrMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(2)Sr4Mg2 octahedra, and edges with four equivalent O(1)SrMg5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mg(1) atoms to form OSr4Mg2 octahedra that share corners with two equivalent O(3)Mg6 octahedra, corners with four equivalent O(2)Sr4Mg2 octahedra, edges with four equivalent O(2)Sr4Mg2 octahedra, and edges with eight equivalent O(1)SrMg5 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Mg(1) and four equivalent Mg(2) atoms to form OMg6 octahedra that share corners with two equivalent O(2)Sr4Mg2 octahedra, corners with four equivalent O(3)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)SrMg5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_SrMg3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.301
_cell_length_b   3.301
_cell_length_c   8.980
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.877
_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  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.728  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.500  0.500  0.272  1.0
  O  O4  1  0.000  0.000  0.275  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.000  0.725  1.0
  O  O7  1  0.500  0.500  0.500  1.0
[/CIF]
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