The material structure described by MnZrO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Zr(1) is bonded to six equivalent O(1) atoms to form distorted ZrO6 octahedra that share corners with nine equivalent Mn(1)O6 octahedra, edges with three equivalent Zr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. Mn(1) is bonded to six equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with nine equivalent Zr(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. O(1) is bonded to two equivalent Zr(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_ZrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   5.496
_cell_length_c   5.824
_cell_angle_alpha   90.001
_cell_angle_beta   61.845
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   127.750
_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  0.710  0.145  0.435  1.0
  Zr  Zr1  1  0.290  0.855  0.565  1.0
  Mn  Mn2  1  0.718  0.641  0.922  1.0
  Mn  Mn3  1  0.282  0.359  0.077  1.0
  O  O4  1  0.508  0.447  0.260  1.0
  O  O5  1  0.786  0.768  0.260  1.0
  O  O6  1  0.187  0.045  0.260  1.0
  O  O7  1  0.813  0.955  0.740  1.0
  O  O8  1  0.214  0.232  0.740  1.0
  O  O9  1  0.492  0.553  0.740  1.0
[/CIF]
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The material structure described by MnZrO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Zr(1) is bonded to six equivalent O(1) atoms to form distorted ZrO6 octahedra that share corners with nine equivalent Mn(1)O6 octahedra, edges with three equivalent Zr(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. Mn(1) is bonded to six equivalent O(1) atoms to form distorted MnO6 octahedra that share corners with nine equivalent Zr(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-63°. O(1) is bonded to two equivalent Zr(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_ZrMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.496
_cell_length_b   5.496
_cell_length_c   5.824
_cell_angle_alpha   90.001
_cell_angle_beta   61.845
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   127.750
_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  0.710  0.145  0.435  1.0
  Zr  Zr1  1  0.290  0.855  0.565  1.0
  Mn  Mn2  1  0.718  0.641  0.922  1.0
  Mn  Mn3  1  0.282  0.359  0.077  1.0
  O  O4  1  0.508  0.447  0.260  1.0
  O  O5  1  0.786  0.768  0.260  1.0
  O  O6  1  0.187  0.045  0.260  1.0
  O  O7  1  0.813  0.955  0.740  1.0
  O  O8  1  0.214  0.232  0.740  1.0
  O  O9  1  0.492  0.553  0.740  1.0
[/CIF]
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