The material structure described by NaLaV4O12 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.585
_cell_length_c   7.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.535
_symmetry_Int_Tables_number   1
_cell_volume   228.503
_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  0.983  0.017  0.500  1.0
  La  La1  1  0.467  0.533  0.000  1.0
  V  V2  1  0.474  0.034  0.256  1.0
  V  V3  1  0.474  0.034  0.744  1.0
  V  V4  1  0.966  0.526  0.744  1.0
  V  V5  1  0.966  0.526  0.256  1.0
  O  O6  1  0.286  0.244  0.249  1.0
  O  O7  1  0.756  0.714  0.249  1.0
  O  O8  1  0.756  0.714  0.751  1.0
  O  O9  1  0.286  0.244  0.751  1.0
  O  O10  1  0.260  0.740  0.221  1.0
  O  O11  1  0.770  0.230  0.278  1.0
  O  O12  1  0.770  0.230  0.722  1.0
  O  O13  1  0.260  0.740  0.779  1.0
  O  O14  1  0.536  0.016  0.000  1.0
  O  O15  1  0.470  0.969  0.500  1.0
  O  O16  1  0.984  0.464  0.000  1.0
  O  O17  1  0.031  0.530  0.500  1.0
[/CIF]
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The material structure described by NaLaV4O12 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one La(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   5.585
_cell_length_c   7.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.535
_symmetry_Int_Tables_number   1
_cell_volume   228.503
_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  0.983  0.017  0.500  1.0
  La  La1  1  0.467  0.533  0.000  1.0
  V  V2  1  0.474  0.034  0.256  1.0
  V  V3  1  0.474  0.034  0.744  1.0
  V  V4  1  0.966  0.526  0.744  1.0
  V  V5  1  0.966  0.526  0.256  1.0
  O  O6  1  0.286  0.244  0.249  1.0
  O  O7  1  0.756  0.714  0.249  1.0
  O  O8  1  0.756  0.714  0.751  1.0
  O  O9  1  0.286  0.244  0.751  1.0
  O  O10  1  0.260  0.740  0.221  1.0
  O  O11  1  0.770  0.230  0.278  1.0
  O  O12  1  0.770  0.230  0.722  1.0
  O  O13  1  0.260  0.740  0.779  1.0
  O  O14  1  0.536  0.016  0.000  1.0
  O  O15  1  0.470  0.969  0.500  1.0
  O  O16  1  0.984  0.464  0.000  1.0
  O  O17  1  0.031  0.530  0.500  1.0
[/CIF]
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