The crystal structure described by NaGaSiO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra and corners with six equivalent Si(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GaO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-78°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Ga(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Ga(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ga(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Ga(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_NaGaSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.844
_cell_length_b   8.844
_cell_length_c   8.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   566.329
_cell_formula_units_Z   6
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  0.667  0.333  0.063  1.0
  Na  Na1  1  0.000  0.000  0.069  1.0
  Na  Na2  1  0.333  0.667  0.563  1.0
  Na  Na3  1  0.667  0.333  0.491  1.0
  Na  Na4  1  0.000  0.000  0.569  1.0
  Na  Na5  1  0.333  0.667  0.991  1.0
  Ga  Ga6  1  0.315  0.343  0.250  1.0
  Ga  Ga7  1  0.685  0.657  0.750  1.0
  Ga  Ga8  1  0.028  0.685  0.250  1.0
  Ga  Ga9  1  0.657  0.972  0.250  1.0
  Ga  Ga10  1  0.972  0.315  0.750  1.0
  Ga  Ga11  1  0.343  0.028  0.750  1.0
  Si  Si12  1  0.975  0.317  0.365  1.0
  Si  Si13  1  0.683  0.658  0.365  1.0
  Si  Si14  1  0.317  0.342  0.865  1.0
  Si  Si15  1  0.658  0.975  0.865  1.0
  Si  Si16  1  0.342  0.025  0.365  1.0
  Si  Si17  1  0.025  0.683  0.865  1.0
  O  O18  1  0.409  0.221  0.880  1.0
  O  O19  1  0.619  0.886  0.044  1.0
  O  O20  1  0.189  0.409  0.380  1.0
  O  O21  1  0.591  0.779  0.380  1.0
  O  O22  1  0.811  0.591  0.880  1.0
  O  O23  1  0.446  0.533  0.782  1.0
  O  O24  1  0.867  0.762  0.264  1.0
  O  O25  1  0.087  0.554  0.782  1.0
  O  O26  1  0.267  0.381  0.044  1.0
  O  O27  1  0.895  0.133  0.264  1.0
  O  O28  1  0.779  0.189  0.880  1.0
  O  O29  1  0.381  0.114  0.544  1.0
  O  O30  1  0.762  0.895  0.764  1.0
  O  O31  1  0.221  0.811  0.380  1.0
  O  O32  1  0.114  0.733  0.044  1.0
  O  O33  1  0.105  0.867  0.764  1.0
  O  O34  1  0.554  0.467  0.282  1.0
  O  O35  1  0.913  0.446  0.282  1.0
  O  O36  1  0.467  0.913  0.782  1.0
  O  O37  1  0.886  0.267  0.544  1.0
  O  O38  1  0.238  0.105  0.264  1.0
  O  O39  1  0.133  0.238  0.764  1.0
  O  O40  1  0.533  0.087  0.282  1.0
  O  O41  1  0.733  0.619  0.544  1.0
[/CIF]
.
The crystal structure described by NaGaSiO4 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NaO6 octahedra that share corners with six equivalent Ga(1)O4 tetrahedra and corners with six equivalent Si(1)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. Ga(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GaO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-78°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Na(1), one Ga(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Ga(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ga(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Ga(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_NaGaSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.844
_cell_length_b   8.844
_cell_length_c   8.360
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   566.329
_cell_formula_units_Z   6
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  0.667  0.333  0.063  1.0
  Na  Na1  1  0.000  0.000  0.069  1.0
  Na  Na2  1  0.333  0.667  0.563  1.0
  Na  Na3  1  0.667  0.333  0.491  1.0
  Na  Na4  1  0.000  0.000  0.569  1.0
  Na  Na5  1  0.333  0.667  0.991  1.0
  Ga  Ga6  1  0.315  0.343  0.250  1.0
  Ga  Ga7  1  0.685  0.657  0.750  1.0
  Ga  Ga8  1  0.028  0.685  0.250  1.0
  Ga  Ga9  1  0.657  0.972  0.250  1.0
  Ga  Ga10  1  0.972  0.315  0.750  1.0
  Ga  Ga11  1  0.343  0.028  0.750  1.0
  Si  Si12  1  0.975  0.317  0.365  1.0
  Si  Si13  1  0.683  0.658  0.365  1.0
  Si  Si14  1  0.317  0.342  0.865  1.0
  Si  Si15  1  0.658  0.975  0.865  1.0
  Si  Si16  1  0.342  0.025  0.365  1.0
  Si  Si17  1  0.025  0.683  0.865  1.0
  O  O18  1  0.409  0.221  0.880  1.0
  O  O19  1  0.619  0.886  0.044  1.0
  O  O20  1  0.189  0.409  0.380  1.0
  O  O21  1  0.591  0.779  0.380  1.0
  O  O22  1  0.811  0.591  0.880  1.0
  O  O23  1  0.446  0.533  0.782  1.0
  O  O24  1  0.867  0.762  0.264  1.0
  O  O25  1  0.087  0.554  0.782  1.0
  O  O26  1  0.267  0.381  0.044  1.0
  O  O27  1  0.895  0.133  0.264  1.0
  O  O28  1  0.779  0.189  0.880  1.0
  O  O29  1  0.381  0.114  0.544  1.0
  O  O30  1  0.762  0.895  0.764  1.0
  O  O31  1  0.221  0.811  0.380  1.0
  O  O32  1  0.114  0.733  0.044  1.0
  O  O33  1  0.105  0.867  0.764  1.0
  O  O34  1  0.554  0.467  0.282  1.0
  O  O35  1  0.913  0.446  0.282  1.0
  O  O36  1  0.467  0.913  0.782  1.0
  O  O37  1  0.886  0.267  0.544  1.0
  O  O38  1  0.238  0.105  0.264  1.0
  O  O39  1  0.133  0.238  0.764  1.0
  O  O40  1  0.533  0.087  0.282  1.0
  O  O41  1  0.733  0.619  0.544  1.0
[/CIF]
.