The structure described by Na2ZrSi3O11 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(7) atom. Zr(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 25°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Si(1) atom. In the second O site, O(6) is bonded in a linear geometry to two equivalent Na(1) atoms. In the third O site, O(7) is bonded in a linear geometry to two equivalent Na(1) atoms. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Si(1) atoms. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zr(1), and one Si(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zr(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Na2ZrSi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.437
_cell_length_b   7.437
_cell_length_c   10.415
_cell_angle_alpha   89.915
_cell_angle_beta   89.915
_cell_angle_gamma   119.773
_symmetry_Int_Tables_number   1
_cell_volume   500.015
_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  0.277  0.638  0.025  1.0
  Na  Na1  1  0.723  0.362  0.975  1.0
  Na  Na2  1  0.638  0.277  0.525  1.0
  Na  Na3  1  0.362  0.723  0.475  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.000  0.500  1.0
  Si  Si6  1  0.197  0.394  0.751  1.0
  Si  Si7  1  0.196  0.804  0.750  1.0
  Si  Si8  1  0.606  0.803  0.749  1.0
  Si  Si9  1  0.803  0.606  0.249  1.0
  Si  Si10  1  0.804  0.196  0.250  1.0
  Si  Si11  1  0.394  0.197  0.251  1.0
  O  O12  1  0.452  0.906  0.743  1.0
  O  O13  1  0.452  0.548  0.750  1.0
  O  O14  1  0.094  0.548  0.757  1.0
  O  O15  1  0.548  0.094  0.257  1.0
  O  O16  1  0.548  0.452  0.250  1.0
  O  O17  1  0.906  0.452  0.243  1.0
  O  O18  1  0.131  0.269  0.887  1.0
  O  O19  1  0.133  0.864  0.884  1.0
  O  O20  1  0.738  0.871  0.880  1.0
  O  O21  1  0.869  0.731  0.113  1.0
  O  O22  1  0.867  0.136  0.116  1.0
  O  O23  1  0.262  0.129  0.120  1.0
  O  O24  1  0.871  0.738  0.380  1.0
  O  O25  1  0.864  0.133  0.384  1.0
  O  O26  1  0.269  0.131  0.387  1.0
  O  O27  1  0.129  0.262  0.620  1.0
  O  O28  1  0.136  0.867  0.616  1.0
  O  O29  1  0.731  0.869  0.613  1.0
  O  O30  1  0.500  0.000  0.000  1.0
  O  O31  1  0.500  0.500  0.000  1.0
  O  O32  1  0.000  0.500  0.500  1.0
  O  O33  1  0.500  0.500  0.500  1.0
[/CIF]
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The structure described by Na2ZrSi3O11 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(7) atom. Zr(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form ZrO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 25°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Si(1) atom. In the second O site, O(6) is bonded in a linear geometry to two equivalent Na(1) atoms. In the third O site, O(7) is bonded in a linear geometry to two equivalent Na(1) atoms. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Si(1) atoms. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zr(1), and one Si(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zr(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Na2ZrSi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.437
_cell_length_b   7.437
_cell_length_c   10.415
_cell_angle_alpha   89.915
_cell_angle_beta   89.915
_cell_angle_gamma   119.773
_symmetry_Int_Tables_number   1
_cell_volume   500.015
_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  0.277  0.638  0.025  1.0
  Na  Na1  1  0.723  0.362  0.975  1.0
  Na  Na2  1  0.638  0.277  0.525  1.0
  Na  Na3  1  0.362  0.723  0.475  1.0
  Zr  Zr4  1  0.000  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.000  0.500  1.0
  Si  Si6  1  0.197  0.394  0.751  1.0
  Si  Si7  1  0.196  0.804  0.750  1.0
  Si  Si8  1  0.606  0.803  0.749  1.0
  Si  Si9  1  0.803  0.606  0.249  1.0
  Si  Si10  1  0.804  0.196  0.250  1.0
  Si  Si11  1  0.394  0.197  0.251  1.0
  O  O12  1  0.452  0.906  0.743  1.0
  O  O13  1  0.452  0.548  0.750  1.0
  O  O14  1  0.094  0.548  0.757  1.0
  O  O15  1  0.548  0.094  0.257  1.0
  O  O16  1  0.548  0.452  0.250  1.0
  O  O17  1  0.906  0.452  0.243  1.0
  O  O18  1  0.131  0.269  0.887  1.0
  O  O19  1  0.133  0.864  0.884  1.0
  O  O20  1  0.738  0.871  0.880  1.0
  O  O21  1  0.869  0.731  0.113  1.0
  O  O22  1  0.867  0.136  0.116  1.0
  O  O23  1  0.262  0.129  0.120  1.0
  O  O24  1  0.871  0.738  0.380  1.0
  O  O25  1  0.864  0.133  0.384  1.0
  O  O26  1  0.269  0.131  0.387  1.0
  O  O27  1  0.129  0.262  0.620  1.0
  O  O28  1  0.136  0.867  0.616  1.0
  O  O29  1  0.731  0.869  0.613  1.0
  O  O30  1  0.500  0.000  0.000  1.0
  O  O31  1  0.500  0.500  0.000  1.0
  O  O32  1  0.000  0.500  0.500  1.0
  O  O33  1  0.500  0.500  0.500  1.0
[/CIF]
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