The material described by NaBSi3O8 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. B(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(2), one O(4), one O(5), 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 B(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(2), and one Si(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Na(1), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSi3BO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   7.521
_cell_length_c   6.893
_cell_angle_alpha   79.212
_cell_angle_beta   106.891
_cell_angle_gamma   64.761
_symmetry_Int_Tables_number   1
_cell_volume   304.767
_cell_formula_units_Z   2
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  0.735  0.250  0.867  1.0
  Na  Na1  1  0.265  0.750  0.133  1.0
  Si  Si2  1  0.184  0.196  0.790  1.0
  Si  Si3  1  0.816  0.804  0.210  1.0
  Si  Si4  1  0.195  0.602  0.679  1.0
  Si  Si5  1  0.805  0.398  0.321  1.0
  Si  Si6  1  0.450  0.821  0.645  1.0
  Si  Si7  1  0.550  0.179  0.355  1.0
  B  B8  1  0.826  0.851  0.778  1.0
  B  B9  1  0.174  0.149  0.222  1.0
  O  O10  1  0.856  0.871  0.996  1.0
  O  O11  1  0.144  0.129  0.004  1.0
  O  O12  1  0.425  0.613  0.723  1.0
  O  O13  1  0.575  0.387  0.277  1.0
  O  O14  1  0.055  0.747  0.788  1.0
  O  O15  1  0.945  0.253  0.212  1.0
  O  O16  1  0.348  0.981  0.766  1.0
  O  O17  1  0.652  0.019  0.234  1.0
  O  O18  1  0.717  0.731  0.728  1.0
  O  O19  1  0.283  0.269  0.272  1.0
  O  O20  1  0.291  0.350  0.793  1.0
  O  O21  1  0.709  0.650  0.207  1.0
  O  O22  1  0.691  0.071  0.618  1.0
  O  O23  1  0.309  0.929  0.382  1.0
  O  O24  1  0.939  0.324  0.583  1.0
  O  O25  1  0.061  0.676  0.417  1.0
[/CIF]
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The material described by NaBSi3O8 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. B(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(2), one O(4), one O(5), 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 B(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Si(2), and one Si(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(1) and one Si(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Na(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Na(1), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSi3BO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.279
_cell_length_b   7.521
_cell_length_c   6.893
_cell_angle_alpha   79.212
_cell_angle_beta   106.891
_cell_angle_gamma   64.761
_symmetry_Int_Tables_number   1
_cell_volume   304.767
_cell_formula_units_Z   2
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  0.735  0.250  0.867  1.0
  Na  Na1  1  0.265  0.750  0.133  1.0
  Si  Si2  1  0.184  0.196  0.790  1.0
  Si  Si3  1  0.816  0.804  0.210  1.0
  Si  Si4  1  0.195  0.602  0.679  1.0
  Si  Si5  1  0.805  0.398  0.321  1.0
  Si  Si6  1  0.450  0.821  0.645  1.0
  Si  Si7  1  0.550  0.179  0.355  1.0
  B  B8  1  0.826  0.851  0.778  1.0
  B  B9  1  0.174  0.149  0.222  1.0
  O  O10  1  0.856  0.871  0.996  1.0
  O  O11  1  0.144  0.129  0.004  1.0
  O  O12  1  0.425  0.613  0.723  1.0
  O  O13  1  0.575  0.387  0.277  1.0
  O  O14  1  0.055  0.747  0.788  1.0
  O  O15  1  0.945  0.253  0.212  1.0
  O  O16  1  0.348  0.981  0.766  1.0
  O  O17  1  0.652  0.019  0.234  1.0
  O  O18  1  0.717  0.731  0.728  1.0
  O  O19  1  0.283  0.269  0.272  1.0
  O  O20  1  0.291  0.350  0.793  1.0
  O  O21  1  0.709  0.650  0.207  1.0
  O  O22  1  0.691  0.071  0.618  1.0
  O  O23  1  0.309  0.929  0.382  1.0
  O  O24  1  0.939  0.324  0.583  1.0
  O  O25  1  0.061  0.676  0.417  1.0
[/CIF]
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