The structure described by Na2ZnBr4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form NaBr6 octahedra that share corners with four equivalent Na(2)Br6 octahedra, corners with two equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Na(1)Br6 octahedra, edges with two equivalent Na(2)Br6 octahedra, and edges with two equivalent Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the second Na site, Na(2) is bonded to one Br(1), one Br(2), and four equivalent Br(3) atoms to form NaBr6 octahedra that share corners with four equivalent Na(1)Br6 octahedra, corners with four equivalent Na(2)Br6 octahedra, corners with four equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Na(1)Br6 octahedra, and  an edgeedge with one Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-59°. Zn(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form ZnBr4 tetrahedra that share corners with two equivalent Na(1)Br6 octahedra, corners with four equivalent Na(2)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra, and edges with two equivalent Na(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to one Na(2), two equivalent Na(1), and one Zn(1) atom to form distorted corner-sharing BrNa3Zn trigonal pyramids. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.732
_cell_length_b   8.495
_cell_length_c   14.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   824.299
_cell_formula_units_Z   4
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  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Na  Na4  1  0.010  0.750  0.269  1.0
  Na  Na5  1  0.510  0.250  0.231  1.0
  Na  Na6  1  0.990  0.250  0.731  1.0
  Na  Na7  1  0.490  0.750  0.769  1.0
  Zn  Zn8  1  0.594  0.750  0.091  1.0
  Zn  Zn9  1  0.094  0.250  0.409  1.0
  Zn  Zn10  1  0.406  0.250  0.909  1.0
  Zn  Zn11  1  0.906  0.750  0.591  1.0
  Br  Br12  1  0.240  0.750  0.091  1.0
  Br  Br13  1  0.740  0.250  0.409  1.0
  Br  Br14  1  0.760  0.250  0.909  1.0
  Br  Br15  1  0.260  0.750  0.591  1.0
  Br  Br16  1  0.763  0.750  0.435  1.0
  Br  Br17  1  0.263  0.250  0.065  1.0
  Br  Br18  1  0.237  0.250  0.565  1.0
  Br  Br19  1  0.737  0.750  0.935  1.0
  Br  Br20  1  0.744  0.976  0.167  1.0
  Br  Br21  1  0.244  0.024  0.333  1.0
  Br  Br22  1  0.256  0.476  0.833  1.0
  Br  Br23  1  0.756  0.524  0.667  1.0
  Br  Br24  1  0.256  0.024  0.833  1.0
  Br  Br25  1  0.756  0.976  0.667  1.0
  Br  Br26  1  0.744  0.524  0.167  1.0
  Br  Br27  1  0.244  0.476  0.333  1.0
[/CIF]
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The structure described by Na2ZnBr4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form NaBr6 octahedra that share corners with four equivalent Na(2)Br6 octahedra, corners with two equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Na(1)Br6 octahedra, edges with two equivalent Na(2)Br6 octahedra, and edges with two equivalent Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. In the second Na site, Na(2) is bonded to one Br(1), one Br(2), and four equivalent Br(3) atoms to form NaBr6 octahedra that share corners with four equivalent Na(1)Br6 octahedra, corners with four equivalent Na(2)Br6 octahedra, corners with four equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Na(1)Br6 octahedra, and  an edgeedge with one Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-59°. Zn(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form ZnBr4 tetrahedra that share corners with two equivalent Na(1)Br6 octahedra, corners with four equivalent Na(2)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra, and edges with two equivalent Na(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to one Na(2), two equivalent Na(1), and one Zn(1) atom to form distorted corner-sharing BrNa3Zn trigonal pyramids. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.732
_cell_length_b   8.495
_cell_length_c   14.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   824.299
_cell_formula_units_Z   4
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  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Na  Na4  1  0.010  0.750  0.269  1.0
  Na  Na5  1  0.510  0.250  0.231  1.0
  Na  Na6  1  0.990  0.250  0.731  1.0
  Na  Na7  1  0.490  0.750  0.769  1.0
  Zn  Zn8  1  0.594  0.750  0.091  1.0
  Zn  Zn9  1  0.094  0.250  0.409  1.0
  Zn  Zn10  1  0.406  0.250  0.909  1.0
  Zn  Zn11  1  0.906  0.750  0.591  1.0
  Br  Br12  1  0.240  0.750  0.091  1.0
  Br  Br13  1  0.740  0.250  0.409  1.0
  Br  Br14  1  0.760  0.250  0.909  1.0
  Br  Br15  1  0.260  0.750  0.591  1.0
  Br  Br16  1  0.763  0.750  0.435  1.0
  Br  Br17  1  0.263  0.250  0.065  1.0
  Br  Br18  1  0.237  0.250  0.565  1.0
  Br  Br19  1  0.737  0.750  0.935  1.0
  Br  Br20  1  0.744  0.976  0.167  1.0
  Br  Br21  1  0.244  0.024  0.333  1.0
  Br  Br22  1  0.256  0.476  0.833  1.0
  Br  Br23  1  0.756  0.524  0.667  1.0
  Br  Br24  1  0.256  0.024  0.833  1.0
  Br  Br25  1  0.756  0.976  0.667  1.0
  Br  Br26  1  0.744  0.524  0.167  1.0
  Br  Br27  1  0.244  0.476  0.333  1.0
[/CIF]
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