The material described by CsNaSiO3 crystallizes in the trigonal R3m space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 3-coordinate geometry to three equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms. In the fourth Cs site, Cs(4) is bonded in a hexagonal planar geometry to three equivalent O(1) and three equivalent O(2) atoms. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Cs(2), two equivalent Cs(3), two equivalent Na(1), and one Si(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Cs(1), two equivalent Cs(3), two equivalent Na(1), and one Si(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Cs(3), one Cs(4), two equivalent Na(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Cs(3), one Cs(4), two equivalent Na(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_CsNaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.603
_cell_length_b   8.603
_cell_length_c   8.603
_cell_angle_alpha   90.913
_cell_angle_beta   90.913
_cell_angle_gamma   90.913
_symmetry_Int_Tables_number   1
_cell_volume   636.425
_cell_formula_units_Z   6
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
  Cs  Cs0  1  0.342  0.342  0.342  1.0
  Cs  Cs1  1  0.659  0.659  0.659  1.0
  Cs  Cs2  1  0.503  0.999  0.999  1.0
  Cs  Cs3  1  0.999  0.999  0.503  1.0
  Cs  Cs4  1  0.999  0.503  0.999  1.0
  Cs  Cs5  1  0.016  0.016  0.016  1.0
  Na  Na6  1  0.631  0.369  1.000  1.0
  Na  Na7  1  0.369  1.000  0.631  1.0
  Na  Na8  1  1.000  0.631  0.369  1.0
  Na  Na9  1  0.631  1.000  0.369  1.0
  Na  Na10  1  1.000  0.369  0.631  1.0
  Na  Na11  1  0.369  0.631  1.000  1.0
  Si  Si12  1  0.672  0.210  0.672  1.0
  Si  Si13  1  0.210  0.672  0.672  1.0
  Si  Si14  1  0.672  0.672  0.210  1.0
  Si  Si15  1  0.328  0.790  0.328  1.0
  Si  Si16  1  0.790  0.328  0.328  1.0
  Si  Si17  1  0.328  0.328  0.790  1.0
  O  O18  1  0.799  0.275  0.799  1.0
  O  O19  1  0.275  0.799  0.799  1.0
  O  O20  1  0.799  0.799  0.275  1.0
  O  O21  1  0.201  0.726  0.201  1.0
  O  O22  1  0.726  0.201  0.201  1.0
  O  O23  1  0.201  0.201  0.726  1.0
  O  O24  1  0.500  0.288  0.713  1.0
  O  O25  1  0.288  0.713  0.500  1.0
  O  O26  1  0.713  0.500  0.288  1.0
  O  O27  1  0.500  0.713  0.288  1.0
  O  O28  1  0.713  0.288  0.500  1.0
  O  O29  1  0.288  0.500  0.713  1.0
  O  O30  1  0.647  0.024  0.647  1.0
  O  O31  1  0.024  0.647  0.647  1.0
  O  O32  1  0.647  0.647  0.024  1.0
  O  O33  1  0.352  0.977  0.352  1.0
  O  O34  1  0.977  0.352  0.352  1.0
  O  O35  1  0.352  0.352  0.977  1.0
[/CIF]
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The material described by CsNaSiO3 crystallizes in the trigonal R3m space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 3-coordinate geometry to three equivalent O(5) atoms. In the second Cs site, Cs(2) is bonded in a 3-coordinate geometry to three equivalent O(4) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(4), and two equivalent O(5) atoms. In the fourth Cs site, Cs(4) is bonded in a hexagonal planar geometry to three equivalent O(1) and three equivalent O(2) atoms. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form corner-sharing SiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Cs(2), two equivalent Cs(3), two equivalent Na(1), and one Si(1) atom. In the second O site, O(5) is bonded in a 1-coordinate geometry to one Cs(1), two equivalent Cs(3), two equivalent Na(1), and one Si(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Cs(3), one Cs(4), two equivalent Na(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Cs(3), one Cs(4), two equivalent Na(1), and one Si(2) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_CsNaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.603
_cell_length_b   8.603
_cell_length_c   8.603
_cell_angle_alpha   90.913
_cell_angle_beta   90.913
_cell_angle_gamma   90.913
_symmetry_Int_Tables_number   1
_cell_volume   636.425
_cell_formula_units_Z   6
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
  Cs  Cs0  1  0.342  0.342  0.342  1.0
  Cs  Cs1  1  0.659  0.659  0.659  1.0
  Cs  Cs2  1  0.503  0.999  0.999  1.0
  Cs  Cs3  1  0.999  0.999  0.503  1.0
  Cs  Cs4  1  0.999  0.503  0.999  1.0
  Cs  Cs5  1  0.016  0.016  0.016  1.0
  Na  Na6  1  0.631  0.369  1.000  1.0
  Na  Na7  1  0.369  1.000  0.631  1.0
  Na  Na8  1  1.000  0.631  0.369  1.0
  Na  Na9  1  0.631  1.000  0.369  1.0
  Na  Na10  1  1.000  0.369  0.631  1.0
  Na  Na11  1  0.369  0.631  1.000  1.0
  Si  Si12  1  0.672  0.210  0.672  1.0
  Si  Si13  1  0.210  0.672  0.672  1.0
  Si  Si14  1  0.672  0.672  0.210  1.0
  Si  Si15  1  0.328  0.790  0.328  1.0
  Si  Si16  1  0.790  0.328  0.328  1.0
  Si  Si17  1  0.328  0.328  0.790  1.0
  O  O18  1  0.799  0.275  0.799  1.0
  O  O19  1  0.275  0.799  0.799  1.0
  O  O20  1  0.799  0.799  0.275  1.0
  O  O21  1  0.201  0.726  0.201  1.0
  O  O22  1  0.726  0.201  0.201  1.0
  O  O23  1  0.201  0.201  0.726  1.0
  O  O24  1  0.500  0.288  0.713  1.0
  O  O25  1  0.288  0.713  0.500  1.0
  O  O26  1  0.713  0.500  0.288  1.0
  O  O27  1  0.500  0.713  0.288  1.0
  O  O28  1  0.713  0.288  0.500  1.0
  O  O29  1  0.288  0.500  0.713  1.0
  O  O30  1  0.647  0.024  0.647  1.0
  O  O31  1  0.024  0.647  0.647  1.0
  O  O32  1  0.647  0.647  0.024  1.0
  O  O33  1  0.352  0.977  0.352  1.0
  O  O34  1  0.977  0.352  0.352  1.0
  O  O35  1  0.352  0.352  0.977  1.0
[/CIF]
.