The crystal structure described by SmZrNO2 crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent N(1) and six equivalent O(1) atoms. Zr(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form corner-sharing ZrN2O4 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. N(1) is bonded to two equivalent Sm(1) and two equivalent Zr(1) atoms to form distorted corner-sharing NSm2Zr2 tetrahedra. O(1) is bonded in a 5-coordinate geometry to three equivalent Sm(1) and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_SmZrNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.694
_cell_length_b   5.845
_cell_length_c   8.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.412
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.487  0.546  0.250  1.0
  Sm  Sm1  1  0.013  0.046  0.250  1.0
  Sm  Sm2  1  0.513  0.454  0.750  1.0
  Sm  Sm3  1  0.987  0.954  0.750  1.0
  Zr  Zr4  1  0.500  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.500  0.500  1.0
  Zr  Zr6  1  0.500  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  N  N8  1  0.406  0.955  0.250  1.0
  N  N9  1  0.094  0.455  0.250  1.0
  N  N10  1  0.594  0.045  0.750  1.0
  N  N11  1  0.906  0.545  0.750  1.0
  O  O12  1  0.826  0.823  0.045  1.0
  O  O13  1  0.674  0.323  0.455  1.0
  O  O14  1  0.174  0.177  0.545  1.0
  O  O15  1  0.326  0.677  0.955  1.0
  O  O16  1  0.174  0.177  0.955  1.0
  O  O17  1  0.326  0.677  0.545  1.0
  O  O18  1  0.826  0.823  0.455  1.0
  O  O19  1  0.674  0.323  0.045  1.0
[/CIF]
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The crystal structure described by SmZrNO2 crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 8-coordinate geometry to two equivalent N(1) and six equivalent O(1) atoms. Zr(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form corner-sharing ZrN2O4 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. N(1) is bonded to two equivalent Sm(1) and two equivalent Zr(1) atoms to form distorted corner-sharing NSm2Zr2 tetrahedra. O(1) is bonded in a 5-coordinate geometry to three equivalent Sm(1) and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_SmZrNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.694
_cell_length_b   5.845
_cell_length_c   8.335
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.412
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.487  0.546  0.250  1.0
  Sm  Sm1  1  0.013  0.046  0.250  1.0
  Sm  Sm2  1  0.513  0.454  0.750  1.0
  Sm  Sm3  1  0.987  0.954  0.750  1.0
  Zr  Zr4  1  0.500  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.500  0.500  1.0
  Zr  Zr6  1  0.500  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  N  N8  1  0.406  0.955  0.250  1.0
  N  N9  1  0.094  0.455  0.250  1.0
  N  N10  1  0.594  0.045  0.750  1.0
  N  N11  1  0.906  0.545  0.750  1.0
  O  O12  1  0.826  0.823  0.045  1.0
  O  O13  1  0.674  0.323  0.455  1.0
  O  O14  1  0.174  0.177  0.545  1.0
  O  O15  1  0.326  0.677  0.955  1.0
  O  O16  1  0.174  0.177  0.955  1.0
  O  O17  1  0.326  0.677  0.545  1.0
  O  O18  1  0.826  0.823  0.455  1.0
  O  O19  1  0.674  0.323  0.045  1.0
[/CIF]
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