The crystal structure described by Na4Fe3AlO8 is beta beryllia-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the fourth Na site, Na(4) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Fe(1), and one Al(1) atom to form distorted ONa2AlFe tetrahedra that share corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Fe(2), and one Fe(3) atom to form distorted ONa2Fe2 tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the third O site, O(3) is bonded to one Na(3), one Na(4), one Fe(2), and one Fe(3) atom to form distorted ONa2Fe2 tetrahedra that share corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Fe(1), and one Al(1) atom to form distorted ONa2AlFe tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Na(1), one Na(4), one Fe(1), and one Fe(2) atom to form ONa2Fe2 tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the sixth O site, O(6) is bonded to one Na(2), one Na(3), one Fe(1), and one Fe(2) atom to form distorted ONa2Fe2 tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, and corners with two equivalent O(7)Na2AlFe trigonal pyramids. In the seventh O site, O(7) is bonded to one Na(2), one Na(3), one Fe(3), and one Al(1) atom to form distorted ONa2AlFe trigonal pyramids that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(4), one Fe(3), and one Al(1) atom to form distorted ONa2AlFe trigonal pyramids that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, and corners with two equivalent O(7)Na2AlFe trigonal pyramids. is represented by the CIF card [CIF]
data_Na4AlFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.756
_cell_length_c   7.116
_cell_angle_alpha   89.990
_cell_angle_beta   89.975
_cell_angle_gamma   89.910
_symmetry_Int_Tables_number   1
_cell_volume   222.791
_cell_formula_units_Z   1
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  0.512  0.920  0.374  1.0
  Na  Na1  1  0.009  0.082  0.621  1.0
  Na  Na2  1  0.010  0.584  0.884  1.0
  Na  Na3  1  0.512  0.410  0.122  1.0
  Al  Al4  1  0.021  0.065  0.126  1.0
  Fe  Fe5  1  0.021  0.567  0.368  1.0
  Fe  Fe6  1  0.521  0.436  0.627  1.0
  Fe  Fe7  1  0.521  0.936  0.879  1.0
  O  O8  1  0.941  0.886  0.322  1.0
  O  O9  1  0.441  0.115  0.660  1.0
  O  O10  1  0.439  0.615  0.843  1.0
  O  O11  1  0.941  0.363  0.166  1.0
  O  O12  1  0.368  0.547  0.404  1.0
  O  O13  1  0.868  0.464  0.593  1.0
  O  O14  1  0.865  0.966  0.921  1.0
  O  O15  1  0.345  0.044  0.091  1.0
[/CIF]
.
The crystal structure described by Na4Fe3AlO8 is beta beryllia-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the fourth Na site, Na(4) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Na(4)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(3)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Fe(1), and one Al(1) atom to form distorted ONa2AlFe tetrahedra that share corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the second O site, O(2) is bonded to one Na(1), one Na(2), one Fe(2), and one Fe(3) atom to form distorted ONa2Fe2 tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the third O site, O(3) is bonded to one Na(3), one Na(4), one Fe(2), and one Fe(3) atom to form distorted ONa2Fe2 tetrahedra that share corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Fe(1), and one Al(1) atom to form distorted ONa2AlFe tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, corners with two equivalent O(7)Na2AlFe trigonal pyramids, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the fifth O site, O(5) is bonded to one Na(1), one Na(4), one Fe(1), and one Fe(2) atom to form ONa2Fe2 tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the sixth O site, O(6) is bonded to one Na(2), one Na(3), one Fe(1), and one Fe(2) atom to form distorted ONa2Fe2 tetrahedra that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, and corners with two equivalent O(7)Na2AlFe trigonal pyramids. In the seventh O site, O(7) is bonded to one Na(2), one Na(3), one Fe(3), and one Al(1) atom to form distorted ONa2AlFe trigonal pyramids that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(6)Na2Fe2 tetrahedra, and corners with two equivalent O(8)Na2AlFe trigonal pyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(4), one Fe(3), and one Al(1) atom to form distorted ONa2AlFe trigonal pyramids that share corners with two equivalent O(1)Na2AlFe tetrahedra, corners with two equivalent O(4)Na2AlFe tetrahedra, corners with two equivalent O(2)Na2Fe2 tetrahedra, corners with two equivalent O(3)Na2Fe2 tetrahedra, corners with two equivalent O(5)Na2Fe2 tetrahedra, and corners with two equivalent O(7)Na2AlFe trigonal pyramids. is represented by the CIF card [CIF]
data_Na4AlFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.439
_cell_length_b   5.756
_cell_length_c   7.116
_cell_angle_alpha   89.990
_cell_angle_beta   89.975
_cell_angle_gamma   89.910
_symmetry_Int_Tables_number   1
_cell_volume   222.791
_cell_formula_units_Z   1
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  0.512  0.920  0.374  1.0
  Na  Na1  1  0.009  0.082  0.621  1.0
  Na  Na2  1  0.010  0.584  0.884  1.0
  Na  Na3  1  0.512  0.410  0.122  1.0
  Al  Al4  1  0.021  0.065  0.126  1.0
  Fe  Fe5  1  0.021  0.567  0.368  1.0
  Fe  Fe6  1  0.521  0.436  0.627  1.0
  Fe  Fe7  1  0.521  0.936  0.879  1.0
  O  O8  1  0.941  0.886  0.322  1.0
  O  O9  1  0.441  0.115  0.660  1.0
  O  O10  1  0.439  0.615  0.843  1.0
  O  O11  1  0.941  0.363  0.166  1.0
  O  O12  1  0.368  0.547  0.404  1.0
  O  O13  1  0.868  0.464  0.593  1.0
  O  O14  1  0.865  0.966  0.921  1.0
  O  O15  1  0.345  0.044  0.091  1.0
[/CIF]
.