The material structure described by NaGa(SiO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ga(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ga(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with two equivalent Si(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 2-coordinate geometry to two equivalent Na(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Ga(1), and one Si(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Ga(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONaGa2Si tetrahedra. is represented by the CIF file [CIF]
data_NaGa(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   5.344
_cell_angle_alpha   76.810
_cell_angle_beta   76.810
_cell_angle_gamma   84.474
_symmetry_Int_Tables_number   1
_cell_volume   218.036
_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  0.701  0.299  0.750  1.0
  Na  Na1  1  0.299  0.701  0.250  1.0
  Ga  Ga2  1  0.100  0.900  0.750  1.0
  Ga  Ga3  1  0.900  0.100  0.250  1.0
  Si  Si4  1  0.800  0.619  0.231  1.0
  Si  Si5  1  0.200  0.381  0.769  1.0
  Si  Si6  1  0.381  0.200  0.269  1.0
  Si  Si7  1  0.619  0.800  0.731  1.0
  O  O8  1  0.360  0.343  0.492  1.0
  O  O9  1  0.657  0.640  0.008  1.0
  O  O10  1  0.640  0.657  0.508  1.0
  O  O11  1  0.343  0.360  0.992  1.0
  O  O12  1  0.616  0.102  0.198  1.0
  O  O13  1  0.898  0.384  0.302  1.0
  O  O14  1  0.384  0.898  0.802  1.0
  O  O15  1  0.102  0.616  0.698  1.0
  O  O16  1  0.034  0.190  0.867  1.0
  O  O17  1  0.810  0.966  0.633  1.0
  O  O18  1  0.966  0.810  0.133  1.0
  O  O19  1  0.190  0.034  0.367  1.0
[/CIF]
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The material structure described by NaGa(SiO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ga(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form GaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ga(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra and corners with two equivalent Si(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 2-coordinate geometry to two equivalent Na(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Ga(1), and one Si(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Ga(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONaGa2Si tetrahedra. is represented by the CIF file [CIF]
data_NaGa(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   5.344
_cell_angle_alpha   76.810
_cell_angle_beta   76.810
_cell_angle_gamma   84.474
_symmetry_Int_Tables_number   1
_cell_volume   218.036
_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  0.701  0.299  0.750  1.0
  Na  Na1  1  0.299  0.701  0.250  1.0
  Ga  Ga2  1  0.100  0.900  0.750  1.0
  Ga  Ga3  1  0.900  0.100  0.250  1.0
  Si  Si4  1  0.800  0.619  0.231  1.0
  Si  Si5  1  0.200  0.381  0.769  1.0
  Si  Si6  1  0.381  0.200  0.269  1.0
  Si  Si7  1  0.619  0.800  0.731  1.0
  O  O8  1  0.360  0.343  0.492  1.0
  O  O9  1  0.657  0.640  0.008  1.0
  O  O10  1  0.640  0.657  0.508  1.0
  O  O11  1  0.343  0.360  0.992  1.0
  O  O12  1  0.616  0.102  0.198  1.0
  O  O13  1  0.898  0.384  0.302  1.0
  O  O14  1  0.384  0.898  0.802  1.0
  O  O15  1  0.102  0.616  0.698  1.0
  O  O16  1  0.034  0.190  0.867  1.0
  O  O17  1  0.810  0.966  0.633  1.0
  O  O18  1  0.966  0.810  0.133  1.0
  O  O19  1  0.190  0.034  0.367  1.0
[/CIF]
.