The material described by NaGa5O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1) and three equivalent O(4) atoms to form distorted NaO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra, corners with three equivalent Ga(2)O6 octahedra, and corners with six equivalent Ga(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(7) and three equivalent O(6) atoms. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form GaO6 octahedra that share  a cornercorner with one Na(1)O4 tetrahedra, corners with two equivalent Ga(3)O4 tetrahedra,  an edgeedge with one Ga(2)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. In the second Ga site, Ga(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form GaO6 octahedra that share corners with three equivalent Na(1)O4 tetrahedra, corners with three equivalent Ga(3)O4 tetrahedra, edges with three equivalent Ga(1)O6 octahedra, and edges with three equivalent Ga(6)O6 octahedra. In the third Ga site, Ga(3) is bonded to one O(8) and three equivalent O(3) atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the fourth Ga site, Ga(4) is bonded in a trigonal planar geometry to three equivalent O(6) atoms. In the fifth Ga site, Ga(5) is bonded in a trigonal planar geometry to three equivalent O(5) atoms. In the sixth Ga site, Ga(6) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form GaO6 octahedra that share  a cornercorner with one Ga(3)O4 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra,  an edgeedge with one Ga(2)O6 octahedra, and edges with four equivalent Ga(6)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1) and three equivalent Ga(1) atoms to form corner-sharing ONaGa3 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Ga(6) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Na(1), one Ga(2), and two equivalent Ga(6) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ga(5) and two equivalent Ga(1) atoms. In the sixth O site, O(6) is bonded to one Na(2), one Ga(4), and two equivalent Ga(6) atoms to form a mixture of distorted corner and edge-sharing ONaGa3 tetrahedra. In the seventh O site, O(7) is bonded to one Na(2) and three equivalent Ga(1) atoms to form corner-sharing ONaGa3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ga(3) and three equivalent Ga(6) atoms. is represented by the CIF card [CIF]
data_NaGa5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.728
_cell_length_b   11.728
_cell_length_c   11.728
_cell_angle_alpha   29.640
_cell_angle_beta   29.640
_cell_angle_gamma   29.640
_symmetry_Int_Tables_number   1
_cell_volume   349.307
_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  0.345  0.345  0.345  1.0
  Na  Na1  1  0.825  0.825  0.825  1.0
  Ga  Ga2  1  0.587  0.093  0.093  1.0
  Ga  Ga3  1  0.004  0.004  0.004  1.0
  Ga  Ga4  1  0.093  0.093  0.587  1.0
  Ga  Ga5  1  0.093  0.587  0.093  1.0
  Ga  Ga6  1  0.653  0.653  0.653  1.0
  Ga  Ga7  1  0.431  0.431  0.431  1.0
  Ga  Ga8  1  0.557  0.557  0.557  1.0
  Ga  Ga9  1  0.915  0.398  0.915  1.0
  Ga  Ga10  1  0.915  0.915  0.398  1.0
  Ga  Ga11  1  0.398  0.915  0.915  1.0
  O  O12  1  0.284  0.284  0.284  1.0
  O  O13  1  0.107  0.107  0.107  1.0
  O  O14  1  0.806  0.281  0.806  1.0
  O  O15  1  0.741  0.191  0.191  1.0
  O  O16  1  0.901  0.388  0.388  1.0
  O  O17  1  0.614  0.093  0.614  1.0
  O  O18  1  0.614  0.614  0.093  1.0
  O  O19  1  0.806  0.806  0.281  1.0
  O  O20  1  0.191  0.191  0.741  1.0
  O  O21  1  0.388  0.388  0.901  1.0
  O  O22  1  0.388  0.901  0.388  1.0
  O  O23  1  0.093  0.614  0.614  1.0
  O  O24  1  0.191  0.741  0.191  1.0
  O  O25  1  0.281  0.806  0.806  1.0
  O  O26  1  0.899  0.899  0.899  1.0
  O  O27  1  0.708  0.708  0.708  1.0
[/CIF]
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The material described by NaGa5O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1) and three equivalent O(4) atoms to form distorted NaO4 tetrahedra that share corners with three equivalent Ga(1)O6 octahedra, corners with three equivalent Ga(2)O6 octahedra, and corners with six equivalent Ga(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(7) and three equivalent O(6) atoms. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(7), two equivalent O(3), and two equivalent O(5) atoms to form GaO6 octahedra that share  a cornercorner with one Na(1)O4 tetrahedra, corners with two equivalent Ga(3)O4 tetrahedra,  an edgeedge with one Ga(2)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. In the second Ga site, Ga(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form GaO6 octahedra that share corners with three equivalent Na(1)O4 tetrahedra, corners with three equivalent Ga(3)O4 tetrahedra, edges with three equivalent Ga(1)O6 octahedra, and edges with three equivalent Ga(6)O6 octahedra. In the third Ga site, Ga(3) is bonded to one O(8) and three equivalent O(3) atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the fourth Ga site, Ga(4) is bonded in a trigonal planar geometry to three equivalent O(6) atoms. In the fifth Ga site, Ga(5) is bonded in a trigonal planar geometry to three equivalent O(5) atoms. In the sixth Ga site, Ga(6) is bonded to one O(2), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form GaO6 octahedra that share  a cornercorner with one Ga(3)O4 tetrahedra, corners with two equivalent Na(1)O4 tetrahedra,  an edgeedge with one Ga(2)O6 octahedra, and edges with four equivalent Ga(6)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1) and three equivalent Ga(1) atoms to form corner-sharing ONaGa3 tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Ga(6) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ga(2), one Ga(3), and two equivalent Ga(1) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Na(1), one Ga(2), and two equivalent Ga(6) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ga(5) and two equivalent Ga(1) atoms. In the sixth O site, O(6) is bonded to one Na(2), one Ga(4), and two equivalent Ga(6) atoms to form a mixture of distorted corner and edge-sharing ONaGa3 tetrahedra. In the seventh O site, O(7) is bonded to one Na(2) and three equivalent Ga(1) atoms to form corner-sharing ONaGa3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ga(3) and three equivalent Ga(6) atoms. is represented by the CIF card [CIF]
data_NaGa5O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.728
_cell_length_b   11.728
_cell_length_c   11.728
_cell_angle_alpha   29.640
_cell_angle_beta   29.640
_cell_angle_gamma   29.640
_symmetry_Int_Tables_number   1
_cell_volume   349.307
_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  0.345  0.345  0.345  1.0
  Na  Na1  1  0.825  0.825  0.825  1.0
  Ga  Ga2  1  0.587  0.093  0.093  1.0
  Ga  Ga3  1  0.004  0.004  0.004  1.0
  Ga  Ga4  1  0.093  0.093  0.587  1.0
  Ga  Ga5  1  0.093  0.587  0.093  1.0
  Ga  Ga6  1  0.653  0.653  0.653  1.0
  Ga  Ga7  1  0.431  0.431  0.431  1.0
  Ga  Ga8  1  0.557  0.557  0.557  1.0
  Ga  Ga9  1  0.915  0.398  0.915  1.0
  Ga  Ga10  1  0.915  0.915  0.398  1.0
  Ga  Ga11  1  0.398  0.915  0.915  1.0
  O  O12  1  0.284  0.284  0.284  1.0
  O  O13  1  0.107  0.107  0.107  1.0
  O  O14  1  0.806  0.281  0.806  1.0
  O  O15  1  0.741  0.191  0.191  1.0
  O  O16  1  0.901  0.388  0.388  1.0
  O  O17  1  0.614  0.093  0.614  1.0
  O  O18  1  0.614  0.614  0.093  1.0
  O  O19  1  0.806  0.806  0.281  1.0
  O  O20  1  0.191  0.191  0.741  1.0
  O  O21  1  0.388  0.388  0.901  1.0
  O  O22  1  0.388  0.901  0.388  1.0
  O  O23  1  0.093  0.614  0.614  1.0
  O  O24  1  0.191  0.741  0.191  1.0
  O  O25  1  0.281  0.806  0.806  1.0
  O  O26  1  0.899  0.899  0.899  1.0
  O  O27  1  0.708  0.708  0.708  1.0
[/CIF]
.