The structure described by Zr3O is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Zr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the CIF card [CIF]
data_Zr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.589
_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
  Zr  Zr0  1  1.000  0.661  0.500  1.0
  Zr  Zr1  1  1.000  0.339  0.000  1.0
  Zr  Zr2  1  0.661  0.661  1.000  1.0
  Zr  Zr3  1  0.661  0.000  0.500  1.0
  Zr  Zr4  1  0.339  0.339  0.500  1.0
  Zr  Zr5  1  0.339  0.000  0.000  1.0
  O  O6  1  0.667  0.333  0.750  1.0
  O  O7  1  0.333  0.667  0.250  1.0
[/CIF]
.
The structure described by Zr3O is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. Zr(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the CIF card [CIF]
data_Zr3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.650
_cell_length_b   5.650
_cell_length_c   5.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.589
_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
  Zr  Zr0  1  1.000  0.661  0.500  1.0
  Zr  Zr1  1  1.000  0.339  0.000  1.0
  Zr  Zr2  1  0.661  0.661  1.000  1.0
  Zr  Zr3  1  0.661  0.000  0.500  1.0
  Zr  Zr4  1  0.339  0.339  0.500  1.0
  Zr  Zr5  1  0.339  0.000  0.000  1.0
  O  O6  1  0.667  0.333  0.750  1.0
  O  O7  1  0.333  0.667  0.250  1.0
[/CIF]
.