The compound described by Na2ZnSe2 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent Zn(1) and five equivalent Se(1) atoms. Zn(1) is bonded to four equivalent Na(1) and four equivalent Se(1) atoms to form distorted ZnNa4Se4 tetrahedra that share corners with twelve equivalent Se(1)Na5Zn2 pentagonal bipyramids, edges with four equivalent Se(1)Na5Zn2 pentagonal bipyramids, and faces with two equivalent Zn(1)Na4Se4 tetrahedra. Se(1) is bonded to five equivalent Na(1) and two equivalent Zn(1) atoms to form distorted SeNa5Zn2 pentagonal bipyramids that share corners with eight equivalent Se(1)Na5Zn2 pentagonal bipyramids, corners with six equivalent Zn(1)Na4Se4 tetrahedra, edges with six equivalent Se(1)Na5Zn2 pentagonal bipyramids, edges with two equivalent Zn(1)Na4Se4 tetrahedra, and faces with two equivalent Se(1)Na5Zn2 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Na2ZnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.605
_cell_length_c   7.380
_cell_angle_alpha   116.581
_cell_angle_beta   114.341
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.388
_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  0.139  0.479  0.277  1.0
  Na  Na1  1  0.861  0.521  0.723  1.0
  Na  Na2  1  0.361  0.202  0.723  1.0
  Na  Na3  1  0.639  0.798  0.277  1.0
  Zn  Zn4  1  0.250  0.000  0.000  1.0
  Zn  Zn5  1  0.750  0.000  0.000  1.0
  Se  Se6  1  0.615  0.330  0.229  1.0
  Se  Se7  1  0.385  0.670  0.771  1.0
  Se  Se8  1  0.885  0.101  0.771  1.0
  Se  Se9  1  0.115  0.899  0.229  1.0
[/CIF]
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The compound described by Na2ZnSe2 crystallizes in the orthorhombic Ibam space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent Zn(1) and five equivalent Se(1) atoms. Zn(1) is bonded to four equivalent Na(1) and four equivalent Se(1) atoms to form distorted ZnNa4Se4 tetrahedra that share corners with twelve equivalent Se(1)Na5Zn2 pentagonal bipyramids, edges with four equivalent Se(1)Na5Zn2 pentagonal bipyramids, and faces with two equivalent Zn(1)Na4Se4 tetrahedra. Se(1) is bonded to five equivalent Na(1) and two equivalent Zn(1) atoms to form distorted SeNa5Zn2 pentagonal bipyramids that share corners with eight equivalent Se(1)Na5Zn2 pentagonal bipyramids, corners with six equivalent Zn(1)Na4Se4 tetrahedra, edges with six equivalent Se(1)Na5Zn2 pentagonal bipyramids, edges with two equivalent Zn(1)Na4Se4 tetrahedra, and faces with two equivalent Se(1)Na5Zn2 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Na2ZnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.084
_cell_length_b   6.605
_cell_length_c   7.380
_cell_angle_alpha   116.581
_cell_angle_beta   114.341
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.388
_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  0.139  0.479  0.277  1.0
  Na  Na1  1  0.861  0.521  0.723  1.0
  Na  Na2  1  0.361  0.202  0.723  1.0
  Na  Na3  1  0.639  0.798  0.277  1.0
  Zn  Zn4  1  0.250  0.000  0.000  1.0
  Zn  Zn5  1  0.750  0.000  0.000  1.0
  Se  Se6  1  0.615  0.330  0.229  1.0
  Se  Se7  1  0.385  0.670  0.771  1.0
  Se  Se8  1  0.885  0.101  0.771  1.0
  Se  Se9  1  0.115  0.899  0.229  1.0
[/CIF]
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