The structure described by KNa2BaTi3Fe(Si2O9)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(16), one O(17), one O(18), one O(9), and two equivalent O(8) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(13), one O(14), one O(2), one O(3), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(13), one O(14), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. Ba(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(16), one O(17), one O(18), one O(9), and two equivalent O(7) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(13), one O(15), one O(16), and one O(9) atom to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(17), and one O(18) atom to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-68°. In the third Ti site, Ti(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to one O(13), one O(14), one O(2), one O(3), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(15), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-65°. In the second Si site, Si(2) is bonded to one O(10), one O(16), one O(2), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-63°. In the third Si site, Si(3) is bonded to one O(11), one O(17), one O(3), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-64°. In the fourth Si site, Si(4) is bonded to one O(12), one O(18), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-65°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ti(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Ti(3), one Fe(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Ti(3), one Fe(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ti(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Ti(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Ti(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Si(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent K(1), one Si(3), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(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 Ba(1), one Ti(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Ti(1), and one Fe(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ti(2), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(1), and one Si(1) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(1), and one Si(2) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(2), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ba(1), one Ti(2), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBaNa2Ti3Fe(Si2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   7.135
_cell_length_c   10.907
_cell_angle_alpha   108.992
_cell_angle_beta   96.162
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   394.014
_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  0.738  0.719  0.436  1.0
  Ba  Ba1  1  0.260  0.279  0.557  1.0
  Na  Na2  1  0.001  0.002  0.001  1.0
  Na  Na3  1  0.501  0.744  0.001  1.0
  Ti  Ti4  1  0.298  0.865  0.716  1.0
  Ti  Ti5  1  0.701  0.150  0.283  1.0
  Ti  Ti6  1  0.002  0.503  0.001  1.0
  Fe  Fe7  1  0.500  0.278  1.000  1.0
  Si  Si8  1  0.804  0.581  0.727  1.0
  Si  Si9  1  0.790  0.142  0.724  1.0
  Si  Si10  1  0.211  0.423  0.278  1.0
  Si  Si11  1  0.196  0.853  0.275  1.0
  O  O12  1  0.848  0.647  0.886  1.0
  O  O13  1  0.799  0.222  0.883  1.0
  O  O14  1  0.203  0.343  0.118  1.0
  O  O15  1  0.153  0.761  0.115  1.0
  O  O16  1  0.726  0.502  0.091  1.0
  O  O17  1  0.273  0.408  0.905  1.0
  O  O18  1  0.784  0.332  0.664  1.0
  O  O19  1  0.216  0.668  0.337  1.0
  O  O20  1  0.041  0.645  0.666  1.0
  O  O21  1  0.031  0.022  0.666  1.0
  O  O22  1  0.973  0.352  0.335  1.0
  O  O23  1  0.963  0.984  0.335  1.0
  O  O24  1  0.345  0.977  0.884  1.0
  O  O25  1  0.653  0.095  0.114  1.0
  O  O26  1  0.537  0.648  0.673  1.0
  O  O27  1  0.529  0.017  0.655  1.0
  O  O28  1  0.468  0.360  0.347  1.0
  O  O29  1  0.460  0.980  0.328  1.0
[/CIF]
.
The structure described by KNa2BaTi3Fe(Si2O9)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(16), one O(17), one O(18), one O(9), and two equivalent O(8) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(13), one O(14), one O(2), one O(3), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(13), one O(14), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. Ba(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(16), one O(17), one O(18), one O(9), and two equivalent O(7) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(13), one O(15), one O(16), and one O(9) atom to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-67°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(17), and one O(18) atom to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Si(3)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-68°. In the third Ti site, Ti(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to one O(13), one O(14), one O(2), one O(3), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Ti(1)O5 trigonal bipyramid,  a cornercorner with one Ti(2)O5 trigonal bipyramid, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(15), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-65°. In the second Si site, Si(2) is bonded to one O(10), one O(16), one O(2), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-63°. In the third Si site, Si(3) is bonded to one O(11), one O(17), one O(3), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Si(4)O4 tetrahedra, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-64°. In the fourth Si site, Si(4) is bonded to one O(12), one O(18), one O(4), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 50-65°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ti(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Ti(3), one Fe(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Ti(3), one Fe(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ti(3), and one Si(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Ti(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Ti(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Si(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to two equivalent K(1), one Si(3), and one Si(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(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 Ba(1), one Ti(2), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(2), and one Si(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Ti(1), and one Fe(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ti(2), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(1), and one Si(1) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(1), and one Si(2) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one K(1), one Ba(1), one Ti(2), and one Si(3) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ba(1), one Ti(2), and one Si(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBaNa2Ti3Fe(Si2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.390
_cell_length_b   7.135
_cell_length_c   10.907
_cell_angle_alpha   108.992
_cell_angle_beta   96.162
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   394.014
_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  0.738  0.719  0.436  1.0
  Ba  Ba1  1  0.260  0.279  0.557  1.0
  Na  Na2  1  0.001  0.002  0.001  1.0
  Na  Na3  1  0.501  0.744  0.001  1.0
  Ti  Ti4  1  0.298  0.865  0.716  1.0
  Ti  Ti5  1  0.701  0.150  0.283  1.0
  Ti  Ti6  1  0.002  0.503  0.001  1.0
  Fe  Fe7  1  0.500  0.278  1.000  1.0
  Si  Si8  1  0.804  0.581  0.727  1.0
  Si  Si9  1  0.790  0.142  0.724  1.0
  Si  Si10  1  0.211  0.423  0.278  1.0
  Si  Si11  1  0.196  0.853  0.275  1.0
  O  O12  1  0.848  0.647  0.886  1.0
  O  O13  1  0.799  0.222  0.883  1.0
  O  O14  1  0.203  0.343  0.118  1.0
  O  O15  1  0.153  0.761  0.115  1.0
  O  O16  1  0.726  0.502  0.091  1.0
  O  O17  1  0.273  0.408  0.905  1.0
  O  O18  1  0.784  0.332  0.664  1.0
  O  O19  1  0.216  0.668  0.337  1.0
  O  O20  1  0.041  0.645  0.666  1.0
  O  O21  1  0.031  0.022  0.666  1.0
  O  O22  1  0.973  0.352  0.335  1.0
  O  O23  1  0.963  0.984  0.335  1.0
  O  O24  1  0.345  0.977  0.884  1.0
  O  O25  1  0.653  0.095  0.114  1.0
  O  O26  1  0.537  0.648  0.673  1.0
  O  O27  1  0.529  0.017  0.655  1.0
  O  O28  1  0.468  0.360  0.347  1.0
  O  O29  1  0.460  0.980  0.328  1.0
[/CIF]
.