The material structure described by Na6FeAl4(Si4O13)2 is Chalcostibite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(4), and two equivalent O(5) atoms. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(3), one Al(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one Al(1), and one Si(2) atom to form distorted edge-sharing ONa2AlSi tetrahedra. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Al(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2) and two equivalent Si(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Na6Al4Fe(Si4O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.604
_cell_length_b   8.604
_cell_length_c   10.590
_cell_angle_alpha   68.959
_cell_angle_beta   68.959
_cell_angle_gamma   56.186
_symmetry_Int_Tables_number   1
_cell_volume   594.995
_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  0.848  0.848  0.885  1.0
  Na  Na1  1  0.730  0.730  0.561  1.0
  Na  Na2  1  0.533  0.533  0.163  1.0
  Na  Na3  1  0.467  0.467  0.837  1.0
  Na  Na4  1  0.270  0.270  0.439  1.0
  Na  Na5  1  0.152  0.152  0.115  1.0
  Al  Al6  1  0.256  0.861  0.657  1.0
  Al  Al7  1  0.139  0.744  0.343  1.0
  Al  Al8  1  0.861  0.256  0.657  1.0
  Al  Al9  1  0.744  0.139  0.343  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.453  0.838  0.346  1.0
  Si  Si12  1  0.460  0.846  0.867  1.0
  Si  Si13  1  0.846  0.460  0.867  1.0
  Si  Si14  1  0.838  0.453  0.346  1.0
  Si  Si15  1  0.162  0.547  0.654  1.0
  Si  Si16  1  0.154  0.540  0.133  1.0
  Si  Si17  1  0.540  0.154  0.133  1.0
  Si  Si18  1  0.547  0.162  0.654  1.0
  O  O19  1  0.278  0.922  0.988  1.0
  O  O20  1  0.348  0.936  0.481  1.0
  O  O21  1  0.552  0.993  0.792  1.0
  O  O22  1  0.354  0.739  0.323  1.0
  O  O23  1  0.432  0.796  0.744  1.0
  O  O24  1  0.968  0.968  0.275  1.0
  O  O25  1  0.678  0.678  0.360  1.0
  O  O26  1  0.643  0.643  0.933  1.0
  O  O27  1  0.078  0.722  0.012  1.0
  O  O28  1  0.064  0.652  0.519  1.0
  O  O29  1  0.796  0.432  0.744  1.0
  O  O30  1  0.993  0.552  0.792  1.0
  O  O31  1  0.739  0.354  0.323  1.0
  O  O32  1  0.261  0.646  0.677  1.0
  O  O33  1  0.007  0.448  0.208  1.0
  O  O34  1  0.204  0.568  0.256  1.0
  O  O35  1  0.936  0.348  0.481  1.0
  O  O36  1  0.922  0.278  0.988  1.0
  O  O37  1  0.357  0.357  0.067  1.0
  O  O38  1  0.322  0.322  0.640  1.0
  O  O39  1  0.032  0.032  0.725  1.0
  O  O40  1  0.568  0.204  0.256  1.0
  O  O41  1  0.646  0.261  0.677  1.0
  O  O42  1  0.448  0.007  0.208  1.0
  O  O43  1  0.652  0.064  0.519  1.0
  O  O44  1  0.722  0.078  0.012  1.0
[/CIF]
.
The material structure described by Na6FeAl4(Si4O13)2 is Chalcostibite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(2), and two equivalent O(5) atoms. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(4), and two equivalent O(5) atoms. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Al(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(3), one Al(1), and one Si(1) atom. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one Al(1), and one Si(2) atom to form distorted edge-sharing ONa2AlSi tetrahedra. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Al(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2) and two equivalent Si(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Na6Al4Fe(Si4O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.604
_cell_length_b   8.604
_cell_length_c   10.590
_cell_angle_alpha   68.959
_cell_angle_beta   68.959
_cell_angle_gamma   56.186
_symmetry_Int_Tables_number   1
_cell_volume   594.995
_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  0.848  0.848  0.885  1.0
  Na  Na1  1  0.730  0.730  0.561  1.0
  Na  Na2  1  0.533  0.533  0.163  1.0
  Na  Na3  1  0.467  0.467  0.837  1.0
  Na  Na4  1  0.270  0.270  0.439  1.0
  Na  Na5  1  0.152  0.152  0.115  1.0
  Al  Al6  1  0.256  0.861  0.657  1.0
  Al  Al7  1  0.139  0.744  0.343  1.0
  Al  Al8  1  0.861  0.256  0.657  1.0
  Al  Al9  1  0.744  0.139  0.343  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.453  0.838  0.346  1.0
  Si  Si12  1  0.460  0.846  0.867  1.0
  Si  Si13  1  0.846  0.460  0.867  1.0
  Si  Si14  1  0.838  0.453  0.346  1.0
  Si  Si15  1  0.162  0.547  0.654  1.0
  Si  Si16  1  0.154  0.540  0.133  1.0
  Si  Si17  1  0.540  0.154  0.133  1.0
  Si  Si18  1  0.547  0.162  0.654  1.0
  O  O19  1  0.278  0.922  0.988  1.0
  O  O20  1  0.348  0.936  0.481  1.0
  O  O21  1  0.552  0.993  0.792  1.0
  O  O22  1  0.354  0.739  0.323  1.0
  O  O23  1  0.432  0.796  0.744  1.0
  O  O24  1  0.968  0.968  0.275  1.0
  O  O25  1  0.678  0.678  0.360  1.0
  O  O26  1  0.643  0.643  0.933  1.0
  O  O27  1  0.078  0.722  0.012  1.0
  O  O28  1  0.064  0.652  0.519  1.0
  O  O29  1  0.796  0.432  0.744  1.0
  O  O30  1  0.993  0.552  0.792  1.0
  O  O31  1  0.739  0.354  0.323  1.0
  O  O32  1  0.261  0.646  0.677  1.0
  O  O33  1  0.007  0.448  0.208  1.0
  O  O34  1  0.204  0.568  0.256  1.0
  O  O35  1  0.936  0.348  0.481  1.0
  O  O36  1  0.922  0.278  0.988  1.0
  O  O37  1  0.357  0.357  0.067  1.0
  O  O38  1  0.322  0.322  0.640  1.0
  O  O39  1  0.032  0.032  0.725  1.0
  O  O40  1  0.568  0.204  0.256  1.0
  O  O41  1  0.646  0.261  0.677  1.0
  O  O42  1  0.448  0.007  0.208  1.0
  O  O43  1  0.652  0.064  0.519  1.0
  O  O44  1  0.722  0.078  0.012  1.0
[/CIF]
.