The material described by SrZr4SnO12 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and corners with two equivalent Sn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-53°. Sn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted SnO4 tetrahedra that share corners with eight equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-71°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zr(1) and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_SrZr4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   5.706
_cell_length_c   8.416
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.332
_symmetry_Int_Tables_number   1
_cell_volume   274.040
_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
  Sr  Sr0  1  0.964  0.964  0.500  1.0
  Zr  Zr1  1  0.497  0.006  0.751  1.0
  Zr  Zr2  1  0.497  0.006  0.249  1.0
  Zr  Zr3  1  0.006  0.497  0.249  1.0
  Zr  Zr4  1  0.006  0.497  0.751  1.0
  Sn  Sn5  1  0.529  0.529  0.000  1.0
  O  O6  1  0.803  0.203  0.719  1.0
  O  O7  1  0.203  0.803  0.719  1.0
  O  O8  1  0.203  0.803  0.281  1.0
  O  O9  1  0.803  0.203  0.281  1.0
  O  O10  1  0.724  0.724  0.733  1.0
  O  O11  1  0.341  0.341  0.833  1.0
  O  O12  1  0.341  0.341  0.167  1.0
  O  O13  1  0.724  0.724  0.267  1.0
  O  O14  1  0.475  0.877  0.000  1.0
  O  O15  1  0.462  0.043  0.500  1.0
  O  O16  1  0.877  0.475  0.000  1.0
  O  O17  1  0.043  0.462  0.500  1.0
[/CIF]
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The material described by SrZr4SnO12 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form ZrO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and corners with two equivalent Sn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-53°. Sn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted SnO4 tetrahedra that share corners with eight equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-71°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Sr(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zr(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zr(1) and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_SrZr4SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   5.706
_cell_length_c   8.416
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.332
_symmetry_Int_Tables_number   1
_cell_volume   274.040
_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
  Sr  Sr0  1  0.964  0.964  0.500  1.0
  Zr  Zr1  1  0.497  0.006  0.751  1.0
  Zr  Zr2  1  0.497  0.006  0.249  1.0
  Zr  Zr3  1  0.006  0.497  0.249  1.0
  Zr  Zr4  1  0.006  0.497  0.751  1.0
  Sn  Sn5  1  0.529  0.529  0.000  1.0
  O  O6  1  0.803  0.203  0.719  1.0
  O  O7  1  0.203  0.803  0.719  1.0
  O  O8  1  0.203  0.803  0.281  1.0
  O  O9  1  0.803  0.203  0.281  1.0
  O  O10  1  0.724  0.724  0.733  1.0
  O  O11  1  0.341  0.341  0.833  1.0
  O  O12  1  0.341  0.341  0.167  1.0
  O  O13  1  0.724  0.724  0.267  1.0
  O  O14  1  0.475  0.877  0.000  1.0
  O  O15  1  0.462  0.043  0.500  1.0
  O  O16  1  0.877  0.475  0.000  1.0
  O  O17  1  0.043  0.462  0.500  1.0
[/CIF]
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