The material structure described by Nb3SiO10 crystallizes in the triclinic P1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with three equivalent Nb(3)O6 octahedra and  an edgeedge with one Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Nb site, Nb(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra and corners with four equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. Si(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(9) atom to form SiO6 octahedra that share corners with four equivalent Nb(3)O6 octahedra and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(3), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(3) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(2) and one Si(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Nb(1) and one Nb(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Nb(3) and one Si(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nb3SiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.822
_cell_length_b   5.432
_cell_length_c   6.821
_cell_angle_alpha   102.344
_cell_angle_beta   109.915
_cell_angle_gamma   90.644
_symmetry_Int_Tables_number   1
_cell_volume   163.399
_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
  Nb  Nb0  1  0.901  0.274  0.291  1.0
  Nb  Nb1  1  0.347  0.760  0.248  1.0
  Nb  Nb2  1  0.598  0.231  0.731  1.0
  Si  Si3  1  0.107  0.708  0.702  1.0
  O  O4  1  0.875  0.408  0.604  1.0
  O  O5  1  0.419  0.526  0.775  1.0
  O  O6  1  0.677  0.968  0.234  1.0
  O  O7  1  0.286  0.129  0.410  1.0
  O  O8  1  0.535  0.467  0.214  1.0
  O  O9  1  0.129  0.642  0.427  1.0
  O  O10  1  0.100  0.751  0.967  1.0
  O  O11  1  0.910  0.271  0.012  1.0
  O  O12  1  0.338  0.990  0.771  1.0
  O  O13  1  0.778  0.874  0.612  1.0
[/CIF]
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The material structure described by Nb3SiO10 crystallizes in the triclinic P1 space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form NbO6 octahedra that share corners with three equivalent Nb(3)O6 octahedra and  an edgeedge with one Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Nb site, Nb(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra and corners with four equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-55°. Si(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(9) atom to form SiO6 octahedra that share corners with four equivalent Nb(3)O6 octahedra and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(3), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(3) and one Si(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nb(2) and one Si(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Nb(1) and one Nb(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Nb(3) and one Si(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nb3SiO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.822
_cell_length_b   5.432
_cell_length_c   6.821
_cell_angle_alpha   102.344
_cell_angle_beta   109.915
_cell_angle_gamma   90.644
_symmetry_Int_Tables_number   1
_cell_volume   163.399
_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
  Nb  Nb0  1  0.901  0.274  0.291  1.0
  Nb  Nb1  1  0.347  0.760  0.248  1.0
  Nb  Nb2  1  0.598  0.231  0.731  1.0
  Si  Si3  1  0.107  0.708  0.702  1.0
  O  O4  1  0.875  0.408  0.604  1.0
  O  O5  1  0.419  0.526  0.775  1.0
  O  O6  1  0.677  0.968  0.234  1.0
  O  O7  1  0.286  0.129  0.410  1.0
  O  O8  1  0.535  0.467  0.214  1.0
  O  O9  1  0.129  0.642  0.427  1.0
  O  O10  1  0.100  0.751  0.967  1.0
  O  O11  1  0.910  0.271  0.012  1.0
  O  O12  1  0.338  0.990  0.771  1.0
  O  O13  1  0.778  0.874  0.612  1.0
[/CIF]
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