The material described by NaScGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Sc(1)O6 octahedra. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(1), and one Ge(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Sc(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing ONaSc2Ge tetrahedra. is represented by the CIF file [CIF]
data_NaSc(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.949
_cell_length_b   6.949
_cell_length_c   5.665
_cell_angle_alpha   76.911
_cell_angle_beta   76.911
_cell_angle_gamma   83.475
_symmetry_Int_Tables_number   1
_cell_volume   258.956
_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  0.302  0.698  0.250  1.0
  Na  Na1  1  0.698  0.302  0.750  1.0
  Sc  Sc2  1  0.900  0.100  0.250  1.0
  Sc  Sc3  1  0.100  0.900  0.750  1.0
  Ge  Ge4  1  0.379  0.197  0.262  1.0
  Ge  Ge5  1  0.803  0.621  0.238  1.0
  Ge  Ge6  1  0.621  0.803  0.738  1.0
  Ge  Ge7  1  0.197  0.379  0.762  1.0
  O  O8  1  0.354  0.365  0.976  1.0
  O  O9  1  0.635  0.646  0.524  1.0
  O  O10  1  0.646  0.635  0.024  1.0
  O  O11  1  0.365  0.354  0.476  1.0
  O  O12  1  0.098  0.622  0.695  1.0
  O  O13  1  0.378  0.902  0.805  1.0
  O  O14  1  0.902  0.378  0.305  1.0
  O  O15  1  0.622  0.098  0.195  1.0
  O  O16  1  0.190  0.029  0.364  1.0
  O  O17  1  0.971  0.810  0.136  1.0
  O  O18  1  0.810  0.971  0.636  1.0
  O  O19  1  0.029  0.190  0.864  1.0
[/CIF]
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The material described by NaScGe2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and edges with two equivalent Sc(1)O6 octahedra. Ge(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form GeO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Sc(1), and one Ge(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Sc(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing ONaSc2Ge tetrahedra. is represented by the CIF file [CIF]
data_NaSc(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.949
_cell_length_b   6.949
_cell_length_c   5.665
_cell_angle_alpha   76.911
_cell_angle_beta   76.911
_cell_angle_gamma   83.475
_symmetry_Int_Tables_number   1
_cell_volume   258.956
_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  0.302  0.698  0.250  1.0
  Na  Na1  1  0.698  0.302  0.750  1.0
  Sc  Sc2  1  0.900  0.100  0.250  1.0
  Sc  Sc3  1  0.100  0.900  0.750  1.0
  Ge  Ge4  1  0.379  0.197  0.262  1.0
  Ge  Ge5  1  0.803  0.621  0.238  1.0
  Ge  Ge6  1  0.621  0.803  0.738  1.0
  Ge  Ge7  1  0.197  0.379  0.762  1.0
  O  O8  1  0.354  0.365  0.976  1.0
  O  O9  1  0.635  0.646  0.524  1.0
  O  O10  1  0.646  0.635  0.024  1.0
  O  O11  1  0.365  0.354  0.476  1.0
  O  O12  1  0.098  0.622  0.695  1.0
  O  O13  1  0.378  0.902  0.805  1.0
  O  O14  1  0.902  0.378  0.305  1.0
  O  O15  1  0.622  0.098  0.195  1.0
  O  O16  1  0.190  0.029  0.364  1.0
  O  O17  1  0.971  0.810  0.136  1.0
  O  O18  1  0.810  0.971  0.636  1.0
  O  O19  1  0.029  0.190  0.864  1.0
[/CIF]
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