The material described by Na2Ga2GeS6 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. Ga(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form GaS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra and corners with two equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form GeS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Ga(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Na(1) and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded to two equivalent Na(1), one Ga(1), and one Ge(1) atom to form corner-sharing SNa2GaGe tetrahedra. is represented by the CIF file [CIF]
data_Na2Ga2GeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.119
_cell_length_b   12.079
_cell_length_c   7.314
_cell_angle_alpha   81.114
_cell_angle_beta   65.465
_cell_angle_gamma   33.422
_symmetry_Int_Tables_number   1
_cell_volume   536.345
_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  0.532  0.877  0.302  1.0
  Na  Na1  1  0.288  0.302  0.877  1.0
  Na  Na2  1  0.948  0.962  0.718  1.0
  Na  Na3  1  0.373  0.718  0.962  1.0
  Ga  Ga4  1  0.948  0.284  0.825  1.0
  Ga  Ga5  1  0.943  0.825  0.284  1.0
  Ga  Ga6  1  0.425  0.307  0.302  1.0
  Ga  Ga7  1  0.966  0.302  0.307  1.0
  Ge  Ge8  1  0.917  0.583  0.583  1.0
  Ge  Ge9  1  0.667  0.333  0.333  1.0
  S  S10  1  0.713  0.638  0.880  1.0
  S  S11  1  0.769  0.880  0.638  1.0
  S  S12  1  0.370  0.481  0.537  1.0
  S  S13  1  0.612  0.537  0.481  1.0
  S  S14  1  0.151  0.075  0.471  1.0
  S  S15  1  0.303  0.471  0.075  1.0
  S  S16  1  0.779  0.947  0.099  1.0
  S  S17  1  0.175  0.099  0.947  1.0
  S  S18  1  0.721  0.323  0.997  1.0
  S  S19  1  0.959  0.997  0.323  1.0
  S  S20  1  0.253  0.291  0.529  1.0
  S  S21  1  0.927  0.529  0.291  1.0
[/CIF]
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The material described by Na2Ga2GeS6 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. Ga(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form GaS4 tetrahedra that share corners with two equivalent Ga(1)S4 tetrahedra and corners with two equivalent Ge(1)S4 tetrahedra. Ge(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form GeS4 tetrahedra that share corners with four equivalent Ga(1)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Ga(1), and one Ge(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Na(1) and two equivalent Ga(1) atoms. In the third S site, S(3) is bonded to two equivalent Na(1), one Ga(1), and one Ge(1) atom to form corner-sharing SNa2GaGe tetrahedra. is represented by the CIF file [CIF]
data_Na2Ga2GeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.119
_cell_length_b   12.079
_cell_length_c   7.314
_cell_angle_alpha   81.114
_cell_angle_beta   65.465
_cell_angle_gamma   33.422
_symmetry_Int_Tables_number   1
_cell_volume   536.345
_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  0.532  0.877  0.302  1.0
  Na  Na1  1  0.288  0.302  0.877  1.0
  Na  Na2  1  0.948  0.962  0.718  1.0
  Na  Na3  1  0.373  0.718  0.962  1.0
  Ga  Ga4  1  0.948  0.284  0.825  1.0
  Ga  Ga5  1  0.943  0.825  0.284  1.0
  Ga  Ga6  1  0.425  0.307  0.302  1.0
  Ga  Ga7  1  0.966  0.302  0.307  1.0
  Ge  Ge8  1  0.917  0.583  0.583  1.0
  Ge  Ge9  1  0.667  0.333  0.333  1.0
  S  S10  1  0.713  0.638  0.880  1.0
  S  S11  1  0.769  0.880  0.638  1.0
  S  S12  1  0.370  0.481  0.537  1.0
  S  S13  1  0.612  0.537  0.481  1.0
  S  S14  1  0.151  0.075  0.471  1.0
  S  S15  1  0.303  0.471  0.075  1.0
  S  S16  1  0.779  0.947  0.099  1.0
  S  S17  1  0.175  0.099  0.947  1.0
  S  S18  1  0.721  0.323  0.997  1.0
  S  S19  1  0.959  0.997  0.323  1.0
  S  S20  1  0.253  0.291  0.529  1.0
  S  S21  1  0.927  0.529  0.291  1.0
[/CIF]
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