The compound described by SrZnO2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, corners with four equivalent Zn(1)O4 tetrahedra, edges with four equivalent Sr(1)O7 pentagonal bipyramids, edges with five equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Sr(1)O7 pentagonal bipyramids. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, corners with four equivalent Zn(1)O4 tetrahedra, and edges with five equivalent Sr(1)O7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sr(1) and two equivalent Zn(1) atoms to form distorted OSr3Zn2 square pyramids that share corners with eight equivalent O(2)Sr4Zn2 octahedra, edges with four equivalent O(2)Sr4Zn2 octahedra, and edges with four equivalent O(1)Sr3Zn2 square pyramids. The corner-sharing octahedral tilt angles range from 27-62°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Zn(1) atoms to form OSr4Zn2 octahedra that share corners with four equivalent O(2)Sr4Zn2 octahedra, corners with eight equivalent O(1)Sr3Zn2 square pyramids, edges with two equivalent O(2)Sr4Zn2 octahedra, edges with four equivalent O(1)Sr3Zn2 square pyramids, and faces with two equivalent O(2)Sr4Zn2 octahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the CIF card [CIF]
data_SrZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.343
_cell_length_b   5.825
_cell_length_c   11.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.797
_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
  Sr  Sr0  1  0.250  0.312  0.369  1.0
  Sr  Sr1  1  0.750  0.688  0.631  1.0
  Sr  Sr2  1  0.250  0.812  0.131  1.0
  Sr  Sr3  1  0.750  0.188  0.869  1.0
  Zn  Zn4  1  0.750  0.798  0.370  1.0
  Zn  Zn5  1  0.750  0.298  0.130  1.0
  Zn  Zn6  1  0.250  0.202  0.630  1.0
  Zn  Zn7  1  0.250  0.702  0.870  1.0
  O  O8  1  0.250  0.239  0.041  1.0
  O  O9  1  0.750  0.761  0.959  1.0
  O  O10  1  0.250  0.739  0.459  1.0
  O  O11  1  0.750  0.261  0.541  1.0
  O  O12  1  0.250  0.446  0.758  1.0
  O  O13  1  0.750  0.054  0.258  1.0
  O  O14  1  0.250  0.946  0.742  1.0
  O  O15  1  0.750  0.554  0.242  1.0
[/CIF]
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The compound described by SrZnO2 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded to three equivalent O(1) and four equivalent O(2) atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, corners with four equivalent Zn(1)O4 tetrahedra, edges with four equivalent Sr(1)O7 pentagonal bipyramids, edges with five equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Sr(1)O7 pentagonal bipyramids. Zn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, corners with four equivalent Zn(1)O4 tetrahedra, and edges with five equivalent Sr(1)O7 pentagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Sr(1) and two equivalent Zn(1) atoms to form distorted OSr3Zn2 square pyramids that share corners with eight equivalent O(2)Sr4Zn2 octahedra, edges with four equivalent O(2)Sr4Zn2 octahedra, and edges with four equivalent O(1)Sr3Zn2 square pyramids. The corner-sharing octahedral tilt angles range from 27-62°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Zn(1) atoms to form OSr4Zn2 octahedra that share corners with four equivalent O(2)Sr4Zn2 octahedra, corners with eight equivalent O(1)Sr3Zn2 square pyramids, edges with two equivalent O(2)Sr4Zn2 octahedra, edges with four equivalent O(1)Sr3Zn2 square pyramids, and faces with two equivalent O(2)Sr4Zn2 octahedra. The corner-sharing octahedral tilt angles are 62°. is represented by the CIF card [CIF]
data_SrZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.343
_cell_length_b   5.825
_cell_length_c   11.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   220.797
_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
  Sr  Sr0  1  0.250  0.312  0.369  1.0
  Sr  Sr1  1  0.750  0.688  0.631  1.0
  Sr  Sr2  1  0.250  0.812  0.131  1.0
  Sr  Sr3  1  0.750  0.188  0.869  1.0
  Zn  Zn4  1  0.750  0.798  0.370  1.0
  Zn  Zn5  1  0.750  0.298  0.130  1.0
  Zn  Zn6  1  0.250  0.202  0.630  1.0
  Zn  Zn7  1  0.250  0.702  0.870  1.0
  O  O8  1  0.250  0.239  0.041  1.0
  O  O9  1  0.750  0.761  0.959  1.0
  O  O10  1  0.250  0.739  0.459  1.0
  O  O11  1  0.750  0.261  0.541  1.0
  O  O12  1  0.250  0.446  0.758  1.0
  O  O13  1  0.750  0.054  0.258  1.0
  O  O14  1  0.250  0.946  0.742  1.0
  O  O15  1  0.750  0.554  0.242  1.0
[/CIF]
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