The compound described by Sr3MgO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, edges with four equivalent Sr(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Sr site, Sr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with two equivalent Sr(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Sr(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Sr(2)O6 octahedra, edges with two equivalent Sr(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form OSr6 octahedra that share corners with two equivalent O(1)Sr6 octahedra, corners with four equivalent O(3)Sr4Mg2 octahedra, edges with two equivalent O(3)Sr4Mg2 octahedra, edges with two equivalent O(1)Sr6 octahedra, and edges with eight equivalent O(2)Sr4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mg(1) atoms to form OSr4Mg2 octahedra that share corners with six equivalent O(2)Sr4Mg2 octahedra, edges with four equivalent O(2)Sr4Mg2 octahedra, edges with four equivalent O(3)Sr4Mg2 octahedra, and edges with four equivalent O(1)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) 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)Sr4Mg2 octahedra, corners with four equivalent O(1)Sr6 octahedra, edges with two equivalent O(3)Sr4Mg2 octahedra, edges with two equivalent O(1)Sr6 octahedra, and edges with eight equivalent O(2)Sr4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3MgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.507
_cell_length_b   5.076
_cell_length_c   7.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.699
_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  0.500  0.500  0.239  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.761  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.500  0.000  0.782  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.218  1.0
[/CIF]
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The compound described by Sr3MgO4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra, edges with four equivalent Sr(1)O6 octahedra, edges with four equivalent Sr(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Sr site, Sr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SrO6 octahedra that share corners with two equivalent Sr(2)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, edges with two equivalent Sr(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Sr(2)O6 octahedra, edges with two equivalent Sr(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with eight equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form OSr6 octahedra that share corners with two equivalent O(1)Sr6 octahedra, corners with four equivalent O(3)Sr4Mg2 octahedra, edges with two equivalent O(3)Sr4Mg2 octahedra, edges with two equivalent O(1)Sr6 octahedra, and edges with eight equivalent O(2)Sr4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mg(1) atoms to form OSr4Mg2 octahedra that share corners with six equivalent O(2)Sr4Mg2 octahedra, edges with four equivalent O(2)Sr4Mg2 octahedra, edges with four equivalent O(3)Sr4Mg2 octahedra, and edges with four equivalent O(1)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) 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)Sr4Mg2 octahedra, corners with four equivalent O(1)Sr6 octahedra, edges with two equivalent O(3)Sr4Mg2 octahedra, edges with two equivalent O(1)Sr6 octahedra, and edges with eight equivalent O(2)Sr4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3MgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.507
_cell_length_b   5.076
_cell_length_c   7.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   126.699
_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  0.500  0.500  0.239  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.761  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.500  0.000  0.782  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.218  1.0
[/CIF]
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