The material described by NaNbGeSi2SO12 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Nb(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ge(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. In the second Si site, Si(2) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. S(1) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ge(1), and one Si(1) atom. In the third O site, O(8) is bonded in a distorted single-bond geometry to one Na(1), one Ge(1), and one S(1) atom. In the fourth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Ge(1), and one Si(2) atom. In the fifth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one Si(1) atom. In the sixth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one Si(2) atom. In the seventh O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one S(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Ge(1) and one Si(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one Ge(1) and one Si(2) atom. In the tenth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ge(1) and one S(1) atom. In the eleventh O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(1) atom. In the twelfth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbSi2GeSO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.703
_cell_length_b   8.703
_cell_length_c   8.991
_cell_angle_alpha   91.998
_cell_angle_beta   117.350
_cell_angle_gamma   119.297
_symmetry_Int_Tables_number   1
_cell_volume   496.974
_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
  Ge  Ge0  1  0.316  0.685  0.938  1.0
  Ge  Ge1  1  0.252  0.121  0.438  1.0
  Na  Na2  1  0.013  0.505  0.507  1.0
  Na  Na3  1  0.003  0.995  0.007  1.0
  Nb  Nb4  1  0.712  0.361  0.067  1.0
  Nb  Nb5  1  0.706  0.855  0.567  1.0
  O  O6  1  0.592  0.857  0.074  1.0
  O  O7  1  0.220  0.720  0.069  1.0
  O  O8  1  0.360  0.484  0.089  1.0
  O  O9  1  0.605  0.228  0.589  1.0
  O  O10  1  0.349  0.349  0.569  1.0
  O  O11  1  0.217  0.982  0.574  1.0
  O  O12  1  0.421  0.142  0.924  1.0
  O  O13  1  0.787  0.276  0.911  1.0
  O  O14  1  0.645  0.504  0.922  1.0
  O  O15  1  0.418  0.777  0.422  1.0
  O  O16  1  0.635  0.624  0.411  1.0
  O  O17  1  0.782  0.003  0.424  1.0
  O  O18  1  0.199  0.768  0.767  1.0
  O  O19  1  0.982  0.416  0.770  1.0
  O  O20  1  0.329  0.556  0.779  1.0
  O  O21  1  0.224  0.950  0.279  1.0
  O  O22  1  0.354  0.288  0.270  1.0
  O  O23  1  0.999  0.068  0.267  1.0
  O  O24  1  0.794  0.225  0.227  1.0
  O  O25  1  0.008  0.579  0.225  1.0
  O  O26  1  0.648  0.439  0.235  1.0
  O  O27  1  0.796  0.088  0.735  1.0
  O  O28  1  0.647  0.718  0.725  1.0
  O  O29  1  0.002  0.933  0.727  1.0
  S  S30  1  0.488  0.456  0.246  1.0
  S  S31  1  0.790  0.258  0.746  1.0
  Si  Si32  1  0.791  0.038  0.250  1.0
  Si  Si33  1  0.219  0.761  0.248  1.0
  Si  Si34  1  0.488  0.529  0.748  1.0
  Si  Si35  1  0.212  0.959  0.750  1.0
[/CIF]
.
The material described by NaNbGeSi2SO12 crystallizes in the monoclinic Cc space group. Na(1) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Nb(1) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ge(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. In the second Si site, Si(2) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. S(1) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-35°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(2) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Ge(1), and one Si(1) atom. In the third O site, O(8) is bonded in a distorted single-bond geometry to one Na(1), one Ge(1), and one S(1) atom. In the fourth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Ge(1), and one Si(2) atom. In the fifth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one Si(1) atom. In the sixth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one Si(2) atom. In the seventh O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one S(1) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Ge(1) and one Si(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one Ge(1) and one Si(2) atom. In the tenth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ge(1) and one S(1) atom. In the eleventh O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(1) and one Si(1) atom. In the twelfth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbSi2GeSO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.703
_cell_length_b   8.703
_cell_length_c   8.991
_cell_angle_alpha   91.998
_cell_angle_beta   117.350
_cell_angle_gamma   119.297
_symmetry_Int_Tables_number   1
_cell_volume   496.974
_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
  Ge  Ge0  1  0.316  0.685  0.938  1.0
  Ge  Ge1  1  0.252  0.121  0.438  1.0
  Na  Na2  1  0.013  0.505  0.507  1.0
  Na  Na3  1  0.003  0.995  0.007  1.0
  Nb  Nb4  1  0.712  0.361  0.067  1.0
  Nb  Nb5  1  0.706  0.855  0.567  1.0
  O  O6  1  0.592  0.857  0.074  1.0
  O  O7  1  0.220  0.720  0.069  1.0
  O  O8  1  0.360  0.484  0.089  1.0
  O  O9  1  0.605  0.228  0.589  1.0
  O  O10  1  0.349  0.349  0.569  1.0
  O  O11  1  0.217  0.982  0.574  1.0
  O  O12  1  0.421  0.142  0.924  1.0
  O  O13  1  0.787  0.276  0.911  1.0
  O  O14  1  0.645  0.504  0.922  1.0
  O  O15  1  0.418  0.777  0.422  1.0
  O  O16  1  0.635  0.624  0.411  1.0
  O  O17  1  0.782  0.003  0.424  1.0
  O  O18  1  0.199  0.768  0.767  1.0
  O  O19  1  0.982  0.416  0.770  1.0
  O  O20  1  0.329  0.556  0.779  1.0
  O  O21  1  0.224  0.950  0.279  1.0
  O  O22  1  0.354  0.288  0.270  1.0
  O  O23  1  0.999  0.068  0.267  1.0
  O  O24  1  0.794  0.225  0.227  1.0
  O  O25  1  0.008  0.579  0.225  1.0
  O  O26  1  0.648  0.439  0.235  1.0
  O  O27  1  0.796  0.088  0.735  1.0
  O  O28  1  0.647  0.718  0.725  1.0
  O  O29  1  0.002  0.933  0.727  1.0
  S  S30  1  0.488  0.456  0.246  1.0
  S  S31  1  0.790  0.258  0.746  1.0
  Si  Si32  1  0.791  0.038  0.250  1.0
  Si  Si33  1  0.219  0.761  0.248  1.0
  Si  Si34  1  0.488  0.529  0.748  1.0
  Si  Si35  1  0.212  0.959  0.750  1.0
[/CIF]
.