The material structure described by NaSrMg2F7 crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms to form distorted NaF8 hexagonal bipyramids that share edges with two equivalent Na(1)F8 hexagonal bipyramids, edges with four equivalent Sr(1)F8 hexagonal bipyramids, edges with two equivalent Mg(1)F6 octahedra, and edges with four equivalent Mg(2)F6 octahedra. Sr(1) is bonded to two equivalent F(1), two equivalent F(2), and four equivalent F(4) atoms to form SrF8 hexagonal bipyramids that share edges with two equivalent Sr(1)F8 hexagonal bipyramids, edges with four equivalent Na(1)F8 hexagonal bipyramids, edges with two equivalent Mg(2)F6 octahedra, and edges with four equivalent Mg(1)F6 octahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent F(2) and four equivalent F(4) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Mg(2)F6 octahedra, edges with two equivalent Na(1)F8 hexagonal bipyramids, and edges with four equivalent Sr(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-48°. In the second Mg site, Mg(2) is bonded to two equivalent F(3) and four equivalent F(4) atoms to form MgF6 octahedra that share corners with two equivalent Mg(2)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra, edges with two equivalent Sr(1)F8 hexagonal bipyramids, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-45°. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1) and two equivalent Sr(1) atoms to form FNa2Sr2 tetrahedra that share corners with two equivalent F(2)Sr2Mg2 tetrahedra, corners with four equivalent F(1)Na2Sr2 tetrahedra, and  an edgeedge with one F(2)Sr2Mg2 tetrahedra. In the second F site, F(2) is bonded to two equivalent Sr(1) and two equivalent Mg(1) atoms to form distorted FSr2Mg2 tetrahedra that share corners with two equivalent F(1)Na2Sr2 tetrahedra, corners with four equivalent F(2)Sr2Mg2 tetrahedra, and  an edgeedge with one F(1)Na2Sr2 tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Mg(2) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Na(1), one Sr(1), one Mg(1), and one Mg(2) atom. is represented by the CIF card [CIF]
data_NaSrMg2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.460
_cell_length_b   7.460
_cell_length_c   7.460
_cell_angle_alpha   120.843
_cell_angle_beta   118.595
_cell_angle_gamma   90.498
_symmetry_Int_Tables_number   1
_cell_volume   294.696
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Sr  Sr3  1  0.500  0.000  0.500  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.000  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Mg  Mg7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.118  0.868  0.250  1.0
  F  F9  1  0.882  0.132  0.750  1.0
  F  F10  1  0.422  0.172  0.250  1.0
  F  F11  1  0.819  0.569  0.250  1.0
  F  F12  1  0.433  0.579  0.259  1.0
  F  F13  1  0.820  0.174  0.241  1.0
  F  F14  1  0.433  0.174  0.854  1.0
  F  F15  1  0.820  0.579  0.646  1.0
  F  F16  1  0.578  0.828  0.750  1.0
  F  F17  1  0.181  0.431  0.750  1.0
  F  F18  1  0.567  0.421  0.741  1.0
  F  F19  1  0.180  0.826  0.759  1.0
  F  F20  1  0.567  0.826  0.146  1.0
  F  F21  1  0.180  0.421  0.354  1.0
[/CIF]
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The material structure described by NaSrMg2F7 crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms to form distorted NaF8 hexagonal bipyramids that share edges with two equivalent Na(1)F8 hexagonal bipyramids, edges with four equivalent Sr(1)F8 hexagonal bipyramids, edges with two equivalent Mg(1)F6 octahedra, and edges with four equivalent Mg(2)F6 octahedra. Sr(1) is bonded to two equivalent F(1), two equivalent F(2), and four equivalent F(4) atoms to form SrF8 hexagonal bipyramids that share edges with two equivalent Sr(1)F8 hexagonal bipyramids, edges with four equivalent Na(1)F8 hexagonal bipyramids, edges with two equivalent Mg(2)F6 octahedra, and edges with four equivalent Mg(1)F6 octahedra. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent F(2) and four equivalent F(4) atoms to form MgF6 octahedra that share corners with two equivalent Mg(1)F6 octahedra, corners with four equivalent Mg(2)F6 octahedra, edges with two equivalent Na(1)F8 hexagonal bipyramids, and edges with four equivalent Sr(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-48°. In the second Mg site, Mg(2) is bonded to two equivalent F(3) and four equivalent F(4) atoms to form MgF6 octahedra that share corners with two equivalent Mg(2)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra, edges with two equivalent Sr(1)F8 hexagonal bipyramids, and edges with four equivalent Na(1)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-45°. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1) and two equivalent Sr(1) atoms to form FNa2Sr2 tetrahedra that share corners with two equivalent F(2)Sr2Mg2 tetrahedra, corners with four equivalent F(1)Na2Sr2 tetrahedra, and  an edgeedge with one F(2)Sr2Mg2 tetrahedra. In the second F site, F(2) is bonded to two equivalent Sr(1) and two equivalent Mg(1) atoms to form distorted FSr2Mg2 tetrahedra that share corners with two equivalent F(1)Na2Sr2 tetrahedra, corners with four equivalent F(2)Sr2Mg2 tetrahedra, and  an edgeedge with one F(1)Na2Sr2 tetrahedra. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Mg(2) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Na(1), one Sr(1), one Mg(1), and one Mg(2) atom. is represented by the CIF card [CIF]
data_NaSrMg2F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.460
_cell_length_b   7.460
_cell_length_c   7.460
_cell_angle_alpha   120.843
_cell_angle_beta   118.595
_cell_angle_gamma   90.498
_symmetry_Int_Tables_number   1
_cell_volume   294.696
_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
  Na  Na0  1  0.000  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.000  1.0
  Sr  Sr3  1  0.500  0.000  0.500  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.000  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Mg  Mg7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.118  0.868  0.250  1.0
  F  F9  1  0.882  0.132  0.750  1.0
  F  F10  1  0.422  0.172  0.250  1.0
  F  F11  1  0.819  0.569  0.250  1.0
  F  F12  1  0.433  0.579  0.259  1.0
  F  F13  1  0.820  0.174  0.241  1.0
  F  F14  1  0.433  0.174  0.854  1.0
  F  F15  1  0.820  0.579  0.646  1.0
  F  F16  1  0.578  0.828  0.750  1.0
  F  F17  1  0.181  0.431  0.750  1.0
  F  F18  1  0.567  0.421  0.741  1.0
  F  F19  1  0.180  0.826  0.759  1.0
  F  F20  1  0.567  0.826  0.146  1.0
  F  F21  1  0.180  0.421  0.354  1.0
[/CIF]
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