The compound described by KFe2Al3Si2(HO6)2 crystallizes in the triclinic P1 space group. K(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form KO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra, corners with three equivalent Al(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(11), one O(3), one O(4), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-71°. In the third Al site, Al(3) is bonded to one O(12), one O(5), one O(6), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-71°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-68°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Al(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Al(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Al(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Al(3), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(3), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Fe2 tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Al(1), and one Si(1) atom. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(2), one Al(1), and one Al(3) atom to form a mixture of distorted corner and edge-sharing OAl2Fe2 tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Al(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(1), one Al(2), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one Al(3), and one Si(2) atom. is represented by the CIF file [CIF]
data_KAl3Fe2Si2(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.389
_cell_length_b   10.528
_cell_length_c   5.409
_cell_angle_alpha   100.420
_cell_angle_beta   60.115
_cell_angle_gamma   94.721
_symmetry_Int_Tables_number   1
_cell_volume   261.710
_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
  K  K0  1  0.989  0.000  0.005  1.0
  Al  Al1  1  0.343  0.500  0.827  1.0
  Al  Al2  1  0.326  0.231  0.419  1.0
  Al  Al3  1  0.658  0.768  0.595  1.0
  Fe  Fe4  1  0.662  0.499  0.173  1.0
  Fe  Fe5  1  0.003  0.501  0.500  1.0
  Si  Si6  1  0.653  0.229  0.748  1.0
  Si  Si7  1  0.330  0.770  0.248  1.0
  H  H8  1  0.049  0.310  0.055  1.0
  H  H9  1  0.026  0.691  0.908  1.0
  O  O10  1  0.040  0.404  0.097  1.0
  O  O11  1  0.026  0.597  0.876  1.0
  O  O12  1  0.422  0.171  0.644  1.0
  O  O13  1  0.573  0.181  0.051  1.0
  O  O14  1  0.563  0.815  0.356  1.0
  O  O15  1  0.412  0.830  0.958  1.0
  O  O16  1  0.330  0.403  0.498  1.0
  O  O17  1  0.633  0.392  0.804  1.0
  O  O18  1  0.643  0.597  0.568  1.0
  O  O19  1  0.336  0.608  0.166  1.0
  O  O20  1  0.976  0.182  0.498  1.0
  O  O21  1  0.009  0.818  0.506  1.0
[/CIF]
.
The compound described by KFe2Al3Si2(HO6)2 crystallizes in the triclinic P1 space group. K(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form KO6 octahedra that share corners with three equivalent Al(2)O4 tetrahedra, corners with three equivalent Al(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. In the second Al site, Al(2) is bonded to one O(11), one O(3), one O(4), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-71°. In the third Al site, Al(3) is bonded to one O(12), one O(5), one O(6), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-71°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(3), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Al(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with three equivalent K(1)O6 octahedra, and corners with three equivalent Al(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-68°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Al(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Al(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Al(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Al(3), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(3), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(2), one Al(1), and one Al(2) atom to form a mixture of distorted corner and edge-sharing OAl2Fe2 tetrahedra. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Al(1), and one Si(1) atom. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(2), one Al(1), and one Al(3) atom to form a mixture of distorted corner and edge-sharing OAl2Fe2 tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Al(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one K(1), one Al(2), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one Al(3), and one Si(2) atom. is represented by the CIF file [CIF]
data_KAl3Fe2Si2(HO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.389
_cell_length_b   10.528
_cell_length_c   5.409
_cell_angle_alpha   100.420
_cell_angle_beta   60.115
_cell_angle_gamma   94.721
_symmetry_Int_Tables_number   1
_cell_volume   261.710
_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
  K  K0  1  0.989  0.000  0.005  1.0
  Al  Al1  1  0.343  0.500  0.827  1.0
  Al  Al2  1  0.326  0.231  0.419  1.0
  Al  Al3  1  0.658  0.768  0.595  1.0
  Fe  Fe4  1  0.662  0.499  0.173  1.0
  Fe  Fe5  1  0.003  0.501  0.500  1.0
  Si  Si6  1  0.653  0.229  0.748  1.0
  Si  Si7  1  0.330  0.770  0.248  1.0
  H  H8  1  0.049  0.310  0.055  1.0
  H  H9  1  0.026  0.691  0.908  1.0
  O  O10  1  0.040  0.404  0.097  1.0
  O  O11  1  0.026  0.597  0.876  1.0
  O  O12  1  0.422  0.171  0.644  1.0
  O  O13  1  0.573  0.181  0.051  1.0
  O  O14  1  0.563  0.815  0.356  1.0
  O  O15  1  0.412  0.830  0.958  1.0
  O  O16  1  0.330  0.403  0.498  1.0
  O  O17  1  0.633  0.392  0.804  1.0
  O  O18  1  0.643  0.597  0.568  1.0
  O  O19  1  0.336  0.608  0.166  1.0
  O  O20  1  0.976  0.182  0.498  1.0
  O  O21  1  0.009  0.818  0.506  1.0
[/CIF]
.