The compound described by Na2SrV4O12 crystallizes in the tetragonal P4/nbm space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with eight equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SrV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.761
_cell_length_b   10.761
_cell_length_c   5.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.726
_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  0.750  0.750  0.500  1.0
  Na  Na1  1  0.750  0.250  0.500  1.0
  Na  Na2  1  0.250  0.750  0.500  1.0
  Na  Na3  1  0.250  0.250  0.500  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
  Sr  Sr5  1  0.000  0.000  0.500  1.0
  V  V6  1  0.717  0.000  0.000  1.0
  V  V7  1  0.000  0.283  0.000  1.0
  V  V8  1  0.283  0.000  0.000  1.0
  V  V9  1  0.500  0.783  0.000  1.0
  V  V10  1  0.783  0.500  0.000  1.0
  V  V11  1  0.217  0.500  0.000  1.0
  V  V12  1  0.500  0.217  0.000  1.0
  V  V13  1  0.000  0.717  0.000  1.0
  O  O14  1  0.433  0.303  0.237  1.0
  O  O15  1  0.567  0.697  0.237  1.0
  O  O16  1  0.697  0.433  0.237  1.0
  O  O17  1  0.303  0.567  0.237  1.0
  O  O18  1  0.303  0.433  0.763  1.0
  O  O19  1  0.433  0.697  0.763  1.0
  O  O20  1  0.567  0.303  0.763  1.0
  O  O21  1  0.697  0.567  0.763  1.0
  O  O22  1  0.067  0.197  0.763  1.0
  O  O23  1  0.933  0.803  0.763  1.0
  O  O24  1  0.803  0.067  0.763  1.0
  O  O25  1  0.197  0.933  0.763  1.0
  O  O26  1  0.197  0.067  0.237  1.0
  O  O27  1  0.067  0.803  0.237  1.0
  O  O28  1  0.118  0.382  0.150  1.0
  O  O29  1  0.382  0.882  0.150  1.0
  O  O30  1  0.618  0.118  0.150  1.0
  O  O31  1  0.882  0.618  0.150  1.0
  O  O32  1  0.882  0.382  0.850  1.0
  O  O33  1  0.118  0.618  0.850  1.0
  O  O34  1  0.382  0.118  0.850  1.0
  O  O35  1  0.618  0.882  0.850  1.0
  O  O36  1  0.803  0.933  0.237  1.0
  O  O37  1  0.933  0.197  0.237  1.0
[/CIF]
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The compound described by Na2SrV4O12 crystallizes in the tetragonal P4/nbm space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with eight equivalent V(1)O4 tetrahedra. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sr(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2SrV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.761
_cell_length_b   10.761
_cell_length_c   5.093
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.726
_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  0.750  0.750  0.500  1.0
  Na  Na1  1  0.750  0.250  0.500  1.0
  Na  Na2  1  0.250  0.750  0.500  1.0
  Na  Na3  1  0.250  0.250  0.500  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
  Sr  Sr5  1  0.000  0.000  0.500  1.0
  V  V6  1  0.717  0.000  0.000  1.0
  V  V7  1  0.000  0.283  0.000  1.0
  V  V8  1  0.283  0.000  0.000  1.0
  V  V9  1  0.500  0.783  0.000  1.0
  V  V10  1  0.783  0.500  0.000  1.0
  V  V11  1  0.217  0.500  0.000  1.0
  V  V12  1  0.500  0.217  0.000  1.0
  V  V13  1  0.000  0.717  0.000  1.0
  O  O14  1  0.433  0.303  0.237  1.0
  O  O15  1  0.567  0.697  0.237  1.0
  O  O16  1  0.697  0.433  0.237  1.0
  O  O17  1  0.303  0.567  0.237  1.0
  O  O18  1  0.303  0.433  0.763  1.0
  O  O19  1  0.433  0.697  0.763  1.0
  O  O20  1  0.567  0.303  0.763  1.0
  O  O21  1  0.697  0.567  0.763  1.0
  O  O22  1  0.067  0.197  0.763  1.0
  O  O23  1  0.933  0.803  0.763  1.0
  O  O24  1  0.803  0.067  0.763  1.0
  O  O25  1  0.197  0.933  0.763  1.0
  O  O26  1  0.197  0.067  0.237  1.0
  O  O27  1  0.067  0.803  0.237  1.0
  O  O28  1  0.118  0.382  0.150  1.0
  O  O29  1  0.382  0.882  0.150  1.0
  O  O30  1  0.618  0.118  0.150  1.0
  O  O31  1  0.882  0.618  0.150  1.0
  O  O32  1  0.882  0.382  0.850  1.0
  O  O33  1  0.118  0.618  0.850  1.0
  O  O34  1  0.382  0.118  0.850  1.0
  O  O35  1  0.618  0.882  0.850  1.0
  O  O36  1  0.803  0.933  0.237  1.0
  O  O37  1  0.933  0.197  0.237  1.0
[/CIF]
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