The material structure described by ZrTaNO crystallizes in the hexagonal P-6m2 space group. Zr(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Ta(1) is bonded to three equivalent N(1) and two equivalent O(1) atoms to form corner-sharing TaN3O2 trigonal bipyramids. N(1) is bonded in a trigonal planar geometry to three equivalent Ta(1) atoms. O(1) is bonded to three equivalent Zr(1) and two equivalent Ta(1) atoms to form corner-sharing OZr3Ta2 trigonal bipyramids. is represented by the CIF card [CIF]
data_ZrTaNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.670
_cell_length_b   3.670
_cell_length_c   4.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   53.114
_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
  Zr  Zr0  1  0.667  0.333  0.000  1.0
  Ta  Ta1  1  0.000  0.000  0.500  1.0
  N  N2  1  0.333  0.667  0.500  1.0
  O  O3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by ZrTaNO crystallizes in the hexagonal P-6m2 space group. Zr(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. Ta(1) is bonded to three equivalent N(1) and two equivalent O(1) atoms to form corner-sharing TaN3O2 trigonal bipyramids. N(1) is bonded in a trigonal planar geometry to three equivalent Ta(1) atoms. O(1) is bonded to three equivalent Zr(1) and two equivalent Ta(1) atoms to form corner-sharing OZr3Ta2 trigonal bipyramids. is represented by the CIF card [CIF]
data_ZrTaNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.670
_cell_length_b   3.670
_cell_length_c   4.555
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   53.114
_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
  Zr  Zr0  1  0.667  0.333  0.000  1.0
  Ta  Ta1  1  0.000  0.000  0.500  1.0
  N  N2  1  0.333  0.667  0.500  1.0
  O  O3  1  0.000  0.000  0.000  1.0
[/CIF]
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