The material structure described by Na3Sr3GaAs4 crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded in a 4-coordinate geometry to one As(2) and three equivalent As(1) atoms. Sr(1) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent As(2), and four equivalent As(1) atoms. Ga(1) is bonded in a distorted tetrahedral geometry to three equivalent Sr(1), one As(2), and three equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), four equivalent Sr(1), and one Ga(1) atom. In the second As site, As(2) is bonded in a 10-coordinate geometry to three equivalent Na(1), six equivalent Sr(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Na3Sr3GaAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.692
_cell_length_b   9.692
_cell_length_c   7.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   618.395
_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  0.136  0.864  0.170  1.0
  Na  Na1  1  0.273  0.136  0.670  1.0
  Na  Na2  1  0.864  0.727  0.670  1.0
  Na  Na3  1  0.727  0.864  0.170  1.0
  Na  Na4  1  0.864  0.136  0.670  1.0
  Na  Na5  1  0.136  0.273  0.170  1.0
  Sr  Sr6  1  0.956  0.478  0.999  1.0
  Sr  Sr7  1  0.522  0.044  0.999  1.0
  Sr  Sr8  1  0.478  0.956  0.499  1.0
  Sr  Sr9  1  0.044  0.522  0.499  1.0
  Sr  Sr10  1  0.522  0.478  0.999  1.0
  Sr  Sr11  1  0.478  0.522  0.499  1.0
  Ga  Ga12  1  0.667  0.333  0.373  1.0
  Ga  Ga13  1  0.333  0.667  0.873  1.0
  As  As14  1  0.811  0.189  0.278  1.0
  As  As15  1  0.189  0.378  0.778  1.0
  As  As16  1  0.811  0.622  0.278  1.0
  As  As17  1  0.667  0.333  0.718  1.0
  As  As18  1  0.622  0.811  0.778  1.0
  As  As19  1  0.333  0.667  0.218  1.0
  As  As20  1  0.189  0.811  0.778  1.0
  As  As21  1  0.378  0.189  0.278  1.0
[/CIF]
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The material structure described by Na3Sr3GaAs4 crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded in a 4-coordinate geometry to one As(2) and three equivalent As(1) atoms. Sr(1) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent As(2), and four equivalent As(1) atoms. Ga(1) is bonded in a distorted tetrahedral geometry to three equivalent Sr(1), one As(2), and three equivalent As(1) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), four equivalent Sr(1), and one Ga(1) atom. In the second As site, As(2) is bonded in a 10-coordinate geometry to three equivalent Na(1), six equivalent Sr(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Na3Sr3GaAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.692
_cell_length_b   9.692
_cell_length_c   7.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   618.395
_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  0.136  0.864  0.170  1.0
  Na  Na1  1  0.273  0.136  0.670  1.0
  Na  Na2  1  0.864  0.727  0.670  1.0
  Na  Na3  1  0.727  0.864  0.170  1.0
  Na  Na4  1  0.864  0.136  0.670  1.0
  Na  Na5  1  0.136  0.273  0.170  1.0
  Sr  Sr6  1  0.956  0.478  0.999  1.0
  Sr  Sr7  1  0.522  0.044  0.999  1.0
  Sr  Sr8  1  0.478  0.956  0.499  1.0
  Sr  Sr9  1  0.044  0.522  0.499  1.0
  Sr  Sr10  1  0.522  0.478  0.999  1.0
  Sr  Sr11  1  0.478  0.522  0.499  1.0
  Ga  Ga12  1  0.667  0.333  0.373  1.0
  Ga  Ga13  1  0.333  0.667  0.873  1.0
  As  As14  1  0.811  0.189  0.278  1.0
  As  As15  1  0.189  0.378  0.778  1.0
  As  As16  1  0.811  0.622  0.278  1.0
  As  As17  1  0.667  0.333  0.718  1.0
  As  As18  1  0.622  0.811  0.778  1.0
  As  As19  1  0.333  0.667  0.218  1.0
  As  As20  1  0.189  0.811  0.778  1.0
  As  As21  1  0.378  0.189  0.278  1.0
[/CIF]
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