The material described by NaZrSi2O7 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. Zr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZrO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-42°. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Zr(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. is represented by the CIF card [CIF]
data_NaZrSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   7.139
_cell_length_c   8.636
_cell_angle_alpha   68.473
_cell_angle_beta   87.919
_cell_angle_gamma   88.458
_symmetry_Int_Tables_number   1
_cell_volume   313.129
_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  0.768  0.190  0.429  1.0
  Na  Na1  1  0.232  0.810  0.571  1.0
  Zr  Zr2  1  0.238  0.207  0.736  1.0
  Zr  Zr3  1  0.762  0.793  0.264  1.0
  Si  Si4  1  0.288  0.460  0.296  1.0
  Si  Si5  1  0.712  0.540  0.704  1.0
  Si  Si6  1  0.255  0.114  0.175  1.0
  Si  Si7  1  0.745  0.886  0.825  1.0
  O  O8  1  0.981  0.043  0.254  1.0
  O  O9  1  0.019  0.957  0.746  1.0
  O  O10  1  0.180  0.298  0.473  1.0
  O  O11  1  0.820  0.702  0.527  1.0
  O  O12  1  0.435  0.474  0.685  1.0
  O  O13  1  0.565  0.526  0.315  1.0
  O  O14  1  0.280  0.110  0.988  1.0
  O  O15  1  0.720  0.890  0.012  1.0
  O  O16  1  0.910  0.354  0.758  1.0
  O  O17  1  0.090  0.646  0.242  1.0
  O  O18  1  0.542  0.032  0.699  1.0
  O  O19  1  0.458  0.968  0.301  1.0
  O  O20  1  0.300  0.348  0.159  1.0
  O  O21  1  0.700  0.652  0.841  1.0
[/CIF]
.
The material described by NaZrSi2O7 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(6) atoms. Zr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZrO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-42°. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Si(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Si(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Zr(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Si(1) and one Si(2) atom. is represented by the CIF card [CIF]
data_NaZrSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.464
_cell_length_b   7.139
_cell_length_c   8.636
_cell_angle_alpha   68.473
_cell_angle_beta   87.919
_cell_angle_gamma   88.458
_symmetry_Int_Tables_number   1
_cell_volume   313.129
_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  0.768  0.190  0.429  1.0
  Na  Na1  1  0.232  0.810  0.571  1.0
  Zr  Zr2  1  0.238  0.207  0.736  1.0
  Zr  Zr3  1  0.762  0.793  0.264  1.0
  Si  Si4  1  0.288  0.460  0.296  1.0
  Si  Si5  1  0.712  0.540  0.704  1.0
  Si  Si6  1  0.255  0.114  0.175  1.0
  Si  Si7  1  0.745  0.886  0.825  1.0
  O  O8  1  0.981  0.043  0.254  1.0
  O  O9  1  0.019  0.957  0.746  1.0
  O  O10  1  0.180  0.298  0.473  1.0
  O  O11  1  0.820  0.702  0.527  1.0
  O  O12  1  0.435  0.474  0.685  1.0
  O  O13  1  0.565  0.526  0.315  1.0
  O  O14  1  0.280  0.110  0.988  1.0
  O  O15  1  0.720  0.890  0.012  1.0
  O  O16  1  0.910  0.354  0.758  1.0
  O  O17  1  0.090  0.646  0.242  1.0
  O  O18  1  0.542  0.032  0.699  1.0
  O  O19  1  0.458  0.968  0.301  1.0
  O  O20  1  0.300  0.348  0.159  1.0
  O  O21  1  0.700  0.652  0.841  1.0
[/CIF]
.