The material structure described by SrMgF4 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent F(3) and six equivalent F(2) atoms. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second F site, F(2) is bonded to three equivalent Sr(1) and one Mg(1) atom to form a mixture of corner and edge-sharing FSr3Mg tetrahedra. In the third F site, F(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.785
_cell_length_b   7.785
_cell_length_c   5.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.641
_symmetry_Int_Tables_number   1
_cell_volume   171.576
_cell_formula_units_Z   2
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  0.669  0.331  0.750  1.0
  Sr  Sr1  1  0.331  0.669  0.250  1.0
  Mg  Mg2  1  0.088  0.912  0.250  1.0
  Mg  Mg3  1  0.912  0.088  0.750  1.0
  F  F4  1  0.000  0.000  0.000  1.0
  F  F5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.186  0.814  0.498  1.0
  F  F7  1  0.814  0.186  0.502  1.0
  F  F8  1  0.399  0.601  0.750  1.0
  F  F9  1  0.601  0.399  0.250  1.0
  F  F10  1  0.186  0.814  0.002  1.0
  F  F11  1  0.814  0.186  0.998  1.0
[/CIF]
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The material structure described by SrMgF4 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent F(3) and six equivalent F(2) atoms. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mg(1) atoms. In the second F site, F(2) is bonded to three equivalent Sr(1) and one Mg(1) atom to form a mixture of corner and edge-sharing FSr3Mg tetrahedra. In the third F site, F(3) is bonded in a distorted linear geometry to two equivalent Sr(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrMgF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.785
_cell_length_b   7.785
_cell_length_c   5.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.641
_symmetry_Int_Tables_number   1
_cell_volume   171.576
_cell_formula_units_Z   2
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  0.669  0.331  0.750  1.0
  Sr  Sr1  1  0.331  0.669  0.250  1.0
  Mg  Mg2  1  0.088  0.912  0.250  1.0
  Mg  Mg3  1  0.912  0.088  0.750  1.0
  F  F4  1  0.000  0.000  0.000  1.0
  F  F5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.186  0.814  0.498  1.0
  F  F7  1  0.814  0.186  0.502  1.0
  F  F8  1  0.399  0.601  0.750  1.0
  F  F9  1  0.601  0.399  0.250  1.0
  F  F10  1  0.186  0.814  0.002  1.0
  F  F11  1  0.814  0.186  0.998  1.0
[/CIF]
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