The material described by Na2In2GeS6 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form NaS4 trigonal pyramids that share corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and corners with three equivalent In(2)S4 tetrahedra. In the second Na site, Na(2) is bonded to one S(1), one S(2), one S(3), one S(5), and one S(6) atom to form distorted NaS5 square pyramids that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with three equivalent In(2)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, corners with three equivalent Na(1)S4 trigonal pyramids, and  an edgeedge with one Ge(1)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form InS4 tetrahedra that share corners with four equivalent Na(2)S5 square pyramids, corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, and corners with three equivalent Na(1)S4 trigonal pyramids. In the second In site, In(2) is bonded to one S(1), one S(2), one S(4), and one S(6) atom to form InS4 tetrahedra that share corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, and corners with three equivalent Na(1)S4 trigonal pyramids. Ge(1) is bonded to one S(3), one S(4), one S(5), and one S(6) atom to form GeS4 tetrahedra that share  a cornercorner with one Na(2)S5 square pyramid, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Na(1)S4 trigonal pyramids, and  an edgeedge with one Na(2)S5 square pyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SNa2In2 tetrahedra that share corners with four equivalent S(2)Na2In2 tetrahedra and corners with three equivalent S(5)Na2InGe trigonal pyramids. In the second S site, S(2) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SNa2In2 tetrahedra that share corners with four equivalent S(1)Na2In2 tetrahedra and corners with three equivalent S(5)Na2InGe trigonal pyramids. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Na(2), one In(1), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Na(1), one In(2), and one Ge(1) atom. In the fifth S site, S(5) is bonded to one Na(1), one Na(2), one In(1), and one Ge(1) atom to form distorted corner-sharing SNa2InGe trigonal pyramids. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Na(2), one In(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Na2In2GeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.363
_cell_length_b   7.363
_cell_length_c   12.463
_cell_angle_alpha   74.395
_cell_angle_beta   74.395
_cell_angle_gamma   65.387
_symmetry_Int_Tables_number   1
_cell_volume   581.989
_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  0.907  0.532  0.343  1.0
  Na  Na1  1  0.532  0.907  0.843  1.0
  Na  Na2  1  0.074  0.926  0.500  1.0
  Na  Na3  1  0.926  0.074  0.000  1.0
  In  In4  1  0.614  0.456  0.693  1.0
  In  In5  1  0.456  0.614  0.193  1.0
  In  In6  1  0.288  0.417  0.998  1.0
  In  In7  1  0.417  0.288  0.498  1.0
  Ge  Ge8  1  0.068  0.512  0.749  1.0
  Ge  Ge9  1  0.512  0.068  0.249  1.0
  S  S10  1  0.738  0.293  0.524  1.0
  S  S11  1  0.293  0.738  0.024  1.0
  S  S12  1  0.607  0.222  0.879  1.0
  S  S13  1  0.222  0.607  0.379  1.0
  S  S14  1  0.252  0.707  0.699  1.0
  S  S15  1  0.707  0.252  0.199  1.0
  S  S16  1  0.215  0.212  0.693  1.0
  S  S17  1  0.212  0.215  0.193  1.0
  S  S18  1  0.792  0.698  0.667  1.0
  S  S19  1  0.698  0.792  0.167  1.0
  S  S20  1  0.968  0.469  0.936  1.0
  S  S21  1  0.469  0.968  0.436  1.0
[/CIF]
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The material described by Na2In2GeS6 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one S(1), one S(2), one S(4), and one S(5) atom to form NaS4 trigonal pyramids that share corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent Ge(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and corners with three equivalent In(2)S4 tetrahedra. In the second Na site, Na(2) is bonded to one S(1), one S(2), one S(3), one S(5), and one S(6) atom to form distorted NaS5 square pyramids that share  a cornercorner with one Ge(1)S4 tetrahedra, corners with three equivalent In(2)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, corners with three equivalent Na(1)S4 trigonal pyramids, and  an edgeedge with one Ge(1)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(2), one S(3), and one S(5) atom to form InS4 tetrahedra that share corners with four equivalent Na(2)S5 square pyramids, corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, and corners with three equivalent Na(1)S4 trigonal pyramids. In the second In site, In(2) is bonded to one S(1), one S(2), one S(4), and one S(6) atom to form InS4 tetrahedra that share corners with three equivalent Na(2)S5 square pyramids, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent Ge(1)S4 tetrahedra, and corners with three equivalent Na(1)S4 trigonal pyramids. Ge(1) is bonded to one S(3), one S(4), one S(5), and one S(6) atom to form GeS4 tetrahedra that share  a cornercorner with one Na(2)S5 square pyramid, corners with two equivalent In(1)S4 tetrahedra, corners with two equivalent In(2)S4 tetrahedra, corners with two equivalent Na(1)S4 trigonal pyramids, and  an edgeedge with one Na(2)S5 square pyramid. There are six inequivalent S sites. In the first S site, S(1) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SNa2In2 tetrahedra that share corners with four equivalent S(2)Na2In2 tetrahedra and corners with three equivalent S(5)Na2InGe trigonal pyramids. In the second S site, S(2) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SNa2In2 tetrahedra that share corners with four equivalent S(1)Na2In2 tetrahedra and corners with three equivalent S(5)Na2InGe trigonal pyramids. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Na(2), one In(1), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Na(1), one In(2), and one Ge(1) atom. In the fifth S site, S(5) is bonded to one Na(1), one Na(2), one In(1), and one Ge(1) atom to form distorted corner-sharing SNa2InGe trigonal pyramids. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Na(2), one In(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Na2In2GeS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.363
_cell_length_b   7.363
_cell_length_c   12.463
_cell_angle_alpha   74.395
_cell_angle_beta   74.395
_cell_angle_gamma   65.387
_symmetry_Int_Tables_number   1
_cell_volume   581.989
_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  0.907  0.532  0.343  1.0
  Na  Na1  1  0.532  0.907  0.843  1.0
  Na  Na2  1  0.074  0.926  0.500  1.0
  Na  Na3  1  0.926  0.074  0.000  1.0
  In  In4  1  0.614  0.456  0.693  1.0
  In  In5  1  0.456  0.614  0.193  1.0
  In  In6  1  0.288  0.417  0.998  1.0
  In  In7  1  0.417  0.288  0.498  1.0
  Ge  Ge8  1  0.068  0.512  0.749  1.0
  Ge  Ge9  1  0.512  0.068  0.249  1.0
  S  S10  1  0.738  0.293  0.524  1.0
  S  S11  1  0.293  0.738  0.024  1.0
  S  S12  1  0.607  0.222  0.879  1.0
  S  S13  1  0.222  0.607  0.379  1.0
  S  S14  1  0.252  0.707  0.699  1.0
  S  S15  1  0.707  0.252  0.199  1.0
  S  S16  1  0.215  0.212  0.693  1.0
  S  S17  1  0.212  0.215  0.193  1.0
  S  S18  1  0.792  0.698  0.667  1.0
  S  S19  1  0.698  0.792  0.167  1.0
  S  S20  1  0.968  0.469  0.936  1.0
  S  S21  1  0.469  0.968  0.436  1.0
[/CIF]
.