The material described by Na(GeAs)6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent As(1) and four equivalent As(3) atoms to form NaAs6 octahedra that share corners with four equivalent Ge(2)GeAs3 tetrahedra, corners with four equivalent Ge(3)GeAs3 tetrahedra, corners with six equivalent Ge(1)GeAs3 tetrahedra, edges with two equivalent Na(1)As6 octahedra, and edges with two equivalent Ge(1)GeAs3 tetrahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Ge(1), one As(1), and two equivalent As(3) atoms to form distorted GeGeAs3 tetrahedra that share corners with three equivalent Na(1)As6 octahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, corners with two equivalent As(3)Na2Ge3 trigonal bipyramids,  a cornercorner with one As(1)NaGe3 trigonal pyramid, and  an edgeedge with one Na(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 40-89°. In the second Ge site, Ge(2) is bonded to one Ge(3), one As(2), and two equivalent As(1) atoms to form GeGeAs3 tetrahedra that share corners with two equivalent Na(1)As6 octahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, and  a cornercorner with one As(3)Na2Ge3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. In the third Ge site, Ge(3) is bonded to one Ge(2), one As(3), and two equivalent As(2) atoms to form distorted GeGeAs3 tetrahedra that share corners with two equivalent Na(1)As6 octahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, and corners with two equivalent As(1)NaGe3 trigonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent As sites. In the first As site, As(1) is bonded to one Na(1), one Ge(1), and two equivalent Ge(2) atoms to form AsNaGe3 trigonal pyramids that share  a cornercorner with one Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, corners with six equivalent As(3)Na2Ge3 trigonal bipyramids, and corners with three equivalent As(1)NaGe3 trigonal pyramids. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one Ge(2) and two equivalent Ge(3) atoms. In the third As site, As(3) is bonded to two equivalent Na(1), one Ge(3), and two equivalent Ge(1) atoms to form distorted AsNa2Ge3 trigonal bipyramids that share  a cornercorner with one Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent As(3)Na2Ge3 trigonal bipyramids, corners with six equivalent As(1)NaGe3 trigonal pyramids, and edges with three equivalent As(3)Na2Ge3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Na(GeAs)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.468
_cell_length_b   11.468
_cell_length_c   7.343
_cell_angle_alpha   87.200
_cell_angle_beta   87.200
_cell_angle_gamma   19.521
_symmetry_Int_Tables_number   1
_cell_volume   322.308
_cell_formula_units_Z   1
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
  Ge  Ge1  1  0.054  0.054  0.532  1.0
  Ge  Ge2  1  0.946  0.946  0.468  1.0
  Ge  Ge3  1  0.319  0.319  0.670  1.0
  Ge  Ge4  1  0.681  0.681  0.330  1.0
  Ge  Ge5  1  0.320  0.320  0.324  1.0
  Ge  Ge6  1  0.680  0.680  0.676  1.0
  As  As7  1  0.118  0.118  0.238  1.0
  As  As8  1  0.882  0.882  0.762  1.0
  As  As9  1  0.221  0.221  0.846  1.0
  As  As10  1  0.779  0.779  0.154  1.0
  As  As11  1  0.571  0.571  0.742  1.0
  As  As12  1  0.429  0.429  0.258  1.0
[/CIF]
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The material described by Na(GeAs)6 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent As(1) and four equivalent As(3) atoms to form NaAs6 octahedra that share corners with four equivalent Ge(2)GeAs3 tetrahedra, corners with four equivalent Ge(3)GeAs3 tetrahedra, corners with six equivalent Ge(1)GeAs3 tetrahedra, edges with two equivalent Na(1)As6 octahedra, and edges with two equivalent Ge(1)GeAs3 tetrahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Ge(1), one As(1), and two equivalent As(3) atoms to form distorted GeGeAs3 tetrahedra that share corners with three equivalent Na(1)As6 octahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, corners with two equivalent As(3)Na2Ge3 trigonal bipyramids,  a cornercorner with one As(1)NaGe3 trigonal pyramid, and  an edgeedge with one Na(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 40-89°. In the second Ge site, Ge(2) is bonded to one Ge(3), one As(2), and two equivalent As(1) atoms to form GeGeAs3 tetrahedra that share corners with two equivalent Na(1)As6 octahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, and  a cornercorner with one As(3)Na2Ge3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. In the third Ge site, Ge(3) is bonded to one Ge(2), one As(3), and two equivalent As(2) atoms to form distorted GeGeAs3 tetrahedra that share corners with two equivalent Na(1)As6 octahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, and corners with two equivalent As(1)NaGe3 trigonal pyramids. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent As sites. In the first As site, As(1) is bonded to one Na(1), one Ge(1), and two equivalent Ge(2) atoms to form AsNaGe3 trigonal pyramids that share  a cornercorner with one Ge(1)GeAs3 tetrahedra, corners with two equivalent Ge(3)GeAs3 tetrahedra, corners with six equivalent As(3)Na2Ge3 trigonal bipyramids, and corners with three equivalent As(1)NaGe3 trigonal pyramids. In the second As site, As(2) is bonded in a distorted T-shaped geometry to one Ge(2) and two equivalent Ge(3) atoms. In the third As site, As(3) is bonded to two equivalent Na(1), one Ge(3), and two equivalent Ge(1) atoms to form distorted AsNa2Ge3 trigonal bipyramids that share  a cornercorner with one Ge(2)GeAs3 tetrahedra, corners with two equivalent Ge(1)GeAs3 tetrahedra, corners with two equivalent As(3)Na2Ge3 trigonal bipyramids, corners with six equivalent As(1)NaGe3 trigonal pyramids, and edges with three equivalent As(3)Na2Ge3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Na(GeAs)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.468
_cell_length_b   11.468
_cell_length_c   7.343
_cell_angle_alpha   87.200
_cell_angle_beta   87.200
_cell_angle_gamma   19.521
_symmetry_Int_Tables_number   1
_cell_volume   322.308
_cell_formula_units_Z   1
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
  Ge  Ge1  1  0.054  0.054  0.532  1.0
  Ge  Ge2  1  0.946  0.946  0.468  1.0
  Ge  Ge3  1  0.319  0.319  0.670  1.0
  Ge  Ge4  1  0.681  0.681  0.330  1.0
  Ge  Ge5  1  0.320  0.320  0.324  1.0
  Ge  Ge6  1  0.680  0.680  0.676  1.0
  As  As7  1  0.118  0.118  0.238  1.0
  As  As8  1  0.882  0.882  0.762  1.0
  As  As9  1  0.221  0.221  0.846  1.0
  As  As10  1  0.779  0.779  0.154  1.0
  As  As11  1  0.571  0.571  0.742  1.0
  As  As12  1  0.429  0.429  0.258  1.0
[/CIF]
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