The crystal structure described by Na3Zr(SiO3)6 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(4), one O(6), two equivalent O(10), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Zr(1)O6 octahedra, edges with two equivalent Si(1)O4 tetrahedra, and edges with two equivalent Si(3)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Na(1)O8 hexagonal bipyramids. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 33°. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O8 hexagonal bipyramid,  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. 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 Zr(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 31°. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one Si(1) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Si(1), and one Si(2) atom. In the third O site, O(10) is bonded in a bent 120 degrees geometry to one Na(1) and one Si(2) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Na(2), one Zr(1), and one Si(2) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Zr(1), and one Si(3) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Zr(1), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Si(3) atoms. In the eighth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(2) and one Si(3) atom. In the ninth O site, O(6) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Si(1) atoms. In the tenth O site, O(7) is bonded in a distorted T-shaped geometry to one Na(2), one Si(2), and one Si(3) atom. is represented by the CIF file [CIF]
data_Na3Zr(SiO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.566
_cell_length_b   7.566
_cell_length_c   7.492
_cell_angle_alpha   86.302
_cell_angle_beta   86.302
_cell_angle_gamma   88.472
_symmetry_Int_Tables_number   1
_cell_volume   427.004
_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  0.008  0.992  0.500  1.0
  Na  Na1  1  0.494  0.009  0.002  1.0
  Na  Na2  1  0.991  0.506  0.998  1.0
  Zr  Zr3  1  0.002  0.998  0.000  1.0
  Si  Si4  1  0.293  0.739  0.284  1.0
  Si  Si5  1  0.261  0.707  0.716  1.0
  Si  Si6  1  0.713  0.703  0.282  1.0
  Si  Si7  1  0.297  0.287  0.718  1.0
  Si  Si8  1  0.739  0.277  0.289  1.0
  Si  Si9  1  0.723  0.261  0.711  1.0
  O  O10  1  0.834  0.811  0.129  1.0
  O  O11  1  0.189  0.166  0.871  1.0
  O  O12  1  0.904  0.189  0.173  1.0
  O  O13  1  0.811  0.096  0.827  1.0
  O  O14  1  0.195  0.907  0.183  1.0
  O  O15  1  0.093  0.805  0.817  1.0
  O  O16  1  0.775  0.225  0.500  1.0
  O  O17  1  0.556  0.198  0.229  1.0
  O  O18  1  0.802  0.444  0.771  1.0
  O  O19  1  0.250  0.750  0.500  1.0
  O  O20  1  0.747  0.491  0.253  1.0
  O  O21  1  0.509  0.253  0.747  1.0
  O  O22  1  0.432  0.793  0.798  1.0
  O  O23  1  0.207  0.568  0.202  1.0
  O  O24  1  0.506  0.753  0.241  1.0
  O  O25  1  0.247  0.494  0.759  1.0
  O  O26  1  0.762  0.753  0.482  1.0
  O  O27  1  0.247  0.238  0.518  1.0
[/CIF]
.
The crystal structure described by Na3Zr(SiO3)6 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(4), one O(6), two equivalent O(10), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO8 hexagonal bipyramids that share corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Zr(1)O6 octahedra, edges with two equivalent Si(1)O4 tetrahedra, and edges with two equivalent Si(3)O4 tetrahedra. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), one O(8), and one O(9) atom. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Na(1)O8 hexagonal bipyramids. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 33°. In the second Si site, Si(2) is bonded to one O(1), one O(10), one O(7), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(1)O8 hexagonal bipyramid,  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 18°. 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 Zr(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Na(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 31°. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one Si(1) atom. In the second O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Si(1), and one Si(2) atom. In the third O site, O(10) is bonded in a bent 120 degrees geometry to one Na(1) and one Si(2) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Na(2), one Zr(1), and one Si(2) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Zr(1), and one Si(3) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Zr(1), and one Si(1) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Si(3) atoms. In the eighth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(2) and one Si(3) atom. In the ninth O site, O(6) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Si(1) atoms. In the tenth O site, O(7) is bonded in a distorted T-shaped geometry to one Na(2), one Si(2), and one Si(3) atom. is represented by the CIF file [CIF]
data_Na3Zr(SiO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.566
_cell_length_b   7.566
_cell_length_c   7.492
_cell_angle_alpha   86.302
_cell_angle_beta   86.302
_cell_angle_gamma   88.472
_symmetry_Int_Tables_number   1
_cell_volume   427.004
_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  0.008  0.992  0.500  1.0
  Na  Na1  1  0.494  0.009  0.002  1.0
  Na  Na2  1  0.991  0.506  0.998  1.0
  Zr  Zr3  1  0.002  0.998  0.000  1.0
  Si  Si4  1  0.293  0.739  0.284  1.0
  Si  Si5  1  0.261  0.707  0.716  1.0
  Si  Si6  1  0.713  0.703  0.282  1.0
  Si  Si7  1  0.297  0.287  0.718  1.0
  Si  Si8  1  0.739  0.277  0.289  1.0
  Si  Si9  1  0.723  0.261  0.711  1.0
  O  O10  1  0.834  0.811  0.129  1.0
  O  O11  1  0.189  0.166  0.871  1.0
  O  O12  1  0.904  0.189  0.173  1.0
  O  O13  1  0.811  0.096  0.827  1.0
  O  O14  1  0.195  0.907  0.183  1.0
  O  O15  1  0.093  0.805  0.817  1.0
  O  O16  1  0.775  0.225  0.500  1.0
  O  O17  1  0.556  0.198  0.229  1.0
  O  O18  1  0.802  0.444  0.771  1.0
  O  O19  1  0.250  0.750  0.500  1.0
  O  O20  1  0.747  0.491  0.253  1.0
  O  O21  1  0.509  0.253  0.747  1.0
  O  O22  1  0.432  0.793  0.798  1.0
  O  O23  1  0.207  0.568  0.202  1.0
  O  O24  1  0.506  0.753  0.241  1.0
  O  O25  1  0.247  0.494  0.759  1.0
  O  O26  1  0.762  0.753  0.482  1.0
  O  O27  1  0.247  0.238  0.518  1.0
[/CIF]
.