The structure described by NaVSiCO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_NaVSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   5.408
_cell_length_c   9.062
_cell_angle_alpha   86.736
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.414
_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  0.514  0.765  0.776  1.0
  Na  Na1  1  0.014  0.235  0.224  1.0
  V  V2  1  0.234  0.202  0.656  1.0
  V  V3  1  0.734  0.798  0.344  1.0
  Si  Si4  1  0.740  0.275  0.562  1.0
  Si  Si5  1  0.240  0.725  0.438  1.0
  C  C6  1  0.257  0.278  0.920  1.0
  C  C7  1  0.757  0.722  0.080  1.0
  O  O8  1  0.755  0.690  0.947  1.0
  O  O9  1  0.250  0.057  0.860  1.0
  O  O10  1  0.260  0.453  0.811  1.0
  O  O11  1  0.953  0.214  0.659  1.0
  O  O12  1  0.540  0.205  0.662  1.0
  O  O13  1  0.254  0.895  0.584  1.0
  O  O14  1  0.744  0.569  0.502  1.0
  O  O15  1  0.244  0.431  0.498  1.0
  O  O16  1  0.754  0.105  0.416  1.0
  O  O17  1  0.040  0.795  0.338  1.0
  O  O18  1  0.453  0.786  0.341  1.0
  O  O19  1  0.760  0.547  0.189  1.0
  O  O20  1  0.750  0.943  0.140  1.0
  O  O21  1  0.255  0.310  0.053  1.0
[/CIF]
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The structure described by NaVSiCO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_NaVSiCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.426
_cell_length_b   5.408
_cell_length_c   9.062
_cell_angle_alpha   86.736
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   314.414
_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  0.514  0.765  0.776  1.0
  Na  Na1  1  0.014  0.235  0.224  1.0
  V  V2  1  0.234  0.202  0.656  1.0
  V  V3  1  0.734  0.798  0.344  1.0
  Si  Si4  1  0.740  0.275  0.562  1.0
  Si  Si5  1  0.240  0.725  0.438  1.0
  C  C6  1  0.257  0.278  0.920  1.0
  C  C7  1  0.757  0.722  0.080  1.0
  O  O8  1  0.755  0.690  0.947  1.0
  O  O9  1  0.250  0.057  0.860  1.0
  O  O10  1  0.260  0.453  0.811  1.0
  O  O11  1  0.953  0.214  0.659  1.0
  O  O12  1  0.540  0.205  0.662  1.0
  O  O13  1  0.254  0.895  0.584  1.0
  O  O14  1  0.744  0.569  0.502  1.0
  O  O15  1  0.244  0.431  0.498  1.0
  O  O16  1  0.754  0.105  0.416  1.0
  O  O17  1  0.040  0.795  0.338  1.0
  O  O18  1  0.453  0.786  0.341  1.0
  O  O19  1  0.760  0.547  0.189  1.0
  O  O20  1  0.750  0.943  0.140  1.0
  O  O21  1  0.255  0.310  0.053  1.0
[/CIF]
.