The material described by Na(Si)34 is beta beryllia-like structured and crystallizes in the cubic F-43m space group. The structure consists of four 7440-23-5 atoms inside a Si framework. In the Si framework, there are six inequivalent Si sites. In the first Si site, Si(6) is bonded to one Si(2) and three equivalent Si(4) atoms to form corner-sharing SiSi4 tetrahedra. In the second Si site, Si(1) is bonded to four equivalent Si(5) atoms to form corner-sharing SiSi4 tetrahedra. In the third Si site, Si(2) is bonded to four equivalent Si(6) atoms to form corner-sharing SiSi4 tetrahedra. In the fourth Si site, Si(3) is bonded to one Si(3), one Si(5), and two equivalent Si(4) atoms to form corner-sharing SiSi4 tetrahedra. In the fifth Si site, Si(4) is bonded to one Si(4), one Si(6), and two equivalent Si(3) atoms to form corner-sharing SiSi4 tetrahedra. In the sixth Si site, Si(5) is bonded to one Si(1) and three equivalent Si(3) atoms to form corner-sharing SiSi4 tetrahedra. is represented by the CIF card [CIF]
data_NaSi34
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.409
_cell_length_b   10.409
_cell_length_c   10.409
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   797.546
_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  0.750  0.750  0.750  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.250  0.250  0.250  1.0
  Si  Si3  1  0.361  0.754  0.754  1.0
  Si  Si4  1  0.754  0.361  0.130  1.0
  Si  Si5  1  0.754  0.130  0.361  1.0
  Si  Si6  1  0.130  0.754  0.754  1.0
  Si  Si7  1  0.754  0.754  0.361  1.0
  Si  Si8  1  0.361  0.130  0.754  1.0
  Si  Si9  1  0.130  0.361  0.754  1.0
  Si  Si10  1  0.754  0.754  0.130  1.0
  Si  Si11  1  0.754  0.361  0.754  1.0
  Si  Si12  1  0.130  0.754  0.361  1.0
  Si  Si13  1  0.361  0.754  0.130  1.0
  Si  Si14  1  0.754  0.130  0.754  1.0
  Si  Si15  1  0.889  0.496  0.496  1.0
  Si  Si16  1  0.496  0.889  0.119  1.0
  Si  Si17  1  0.496  0.119  0.889  1.0
  Si  Si18  1  0.119  0.496  0.496  1.0
  Si  Si19  1  0.496  0.496  0.889  1.0
  Si  Si20  1  0.889  0.119  0.496  1.0
  Si  Si21  1  0.119  0.889  0.496  1.0
  Si  Si22  1  0.496  0.496  0.119  1.0
  Si  Si23  1  0.496  0.889  0.496  1.0
  Si  Si24  1  0.119  0.496  0.889  1.0
  Si  Si25  1  0.889  0.496  0.119  1.0
  Si  Si26  1  0.496  0.119  0.496  1.0
  Si  Si27  1  0.277  0.908  0.908  1.0
  Si  Si28  1  0.908  0.277  0.908  1.0
  Si  Si29  1  0.908  0.908  0.277  1.0
  Si  Si30  1  0.908  0.908  0.908  1.0
  Si  Si31  1  0.973  0.342  0.342  1.0
  Si  Si32  1  0.342  0.973  0.342  1.0
  Si  Si33  1  0.342  0.342  0.973  1.0
  Si  Si34  1  0.342  0.342  0.342  1.0
[/CIF]
.
The material described by Na(Si)34 is beta beryllia-like structured and crystallizes in the cubic F-43m space group. The structure consists of four 7440-23-5 atoms inside a Si framework. In the Si framework, there are six inequivalent Si sites. In the first Si site, Si(6) is bonded to one Si(2) and three equivalent Si(4) atoms to form corner-sharing SiSi4 tetrahedra. In the second Si site, Si(1) is bonded to four equivalent Si(5) atoms to form corner-sharing SiSi4 tetrahedra. In the third Si site, Si(2) is bonded to four equivalent Si(6) atoms to form corner-sharing SiSi4 tetrahedra. In the fourth Si site, Si(3) is bonded to one Si(3), one Si(5), and two equivalent Si(4) atoms to form corner-sharing SiSi4 tetrahedra. In the fifth Si site, Si(4) is bonded to one Si(4), one Si(6), and two equivalent Si(3) atoms to form corner-sharing SiSi4 tetrahedra. In the sixth Si site, Si(5) is bonded to one Si(1) and three equivalent Si(3) atoms to form corner-sharing SiSi4 tetrahedra. is represented by the CIF card [CIF]
data_NaSi34
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.409
_cell_length_b   10.409
_cell_length_c   10.409
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   797.546
_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  0.750  0.750  0.750  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Si  Si2  1  0.250  0.250  0.250  1.0
  Si  Si3  1  0.361  0.754  0.754  1.0
  Si  Si4  1  0.754  0.361  0.130  1.0
  Si  Si5  1  0.754  0.130  0.361  1.0
  Si  Si6  1  0.130  0.754  0.754  1.0
  Si  Si7  1  0.754  0.754  0.361  1.0
  Si  Si8  1  0.361  0.130  0.754  1.0
  Si  Si9  1  0.130  0.361  0.754  1.0
  Si  Si10  1  0.754  0.754  0.130  1.0
  Si  Si11  1  0.754  0.361  0.754  1.0
  Si  Si12  1  0.130  0.754  0.361  1.0
  Si  Si13  1  0.361  0.754  0.130  1.0
  Si  Si14  1  0.754  0.130  0.754  1.0
  Si  Si15  1  0.889  0.496  0.496  1.0
  Si  Si16  1  0.496  0.889  0.119  1.0
  Si  Si17  1  0.496  0.119  0.889  1.0
  Si  Si18  1  0.119  0.496  0.496  1.0
  Si  Si19  1  0.496  0.496  0.889  1.0
  Si  Si20  1  0.889  0.119  0.496  1.0
  Si  Si21  1  0.119  0.889  0.496  1.0
  Si  Si22  1  0.496  0.496  0.119  1.0
  Si  Si23  1  0.496  0.889  0.496  1.0
  Si  Si24  1  0.119  0.496  0.889  1.0
  Si  Si25  1  0.889  0.496  0.119  1.0
  Si  Si26  1  0.496  0.119  0.496  1.0
  Si  Si27  1  0.277  0.908  0.908  1.0
  Si  Si28  1  0.908  0.277  0.908  1.0
  Si  Si29  1  0.908  0.908  0.277  1.0
  Si  Si30  1  0.908  0.908  0.908  1.0
  Si  Si31  1  0.973  0.342  0.342  1.0
  Si  Si32  1  0.342  0.973  0.342  1.0
  Si  Si33  1  0.342  0.342  0.973  1.0
  Si  Si34  1  0.342  0.342  0.342  1.0
[/CIF]
.