The material structure described by LaCrZnSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SnO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one Cr(1), one Zn(1), and one Sn(1) atom to form distorted corner-sharing OLaZnCrSn tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Cr(1), one Zn(1), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent La(1), one Cr(1), one Zn(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded to one La(1), one Cr(1), one Zn(1), and one Sn(1) atom to form distorted corner-sharing OLaZnCrSn tetrahedra. is represented by the CIF card [CIF]
data_LaZnCrSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.601
_cell_length_b   5.457
_cell_length_c   9.608
_cell_angle_alpha   55.632
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.398
_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
  La  La0  1  0.287  0.761  0.250  1.0
  La  La1  1  0.713  0.761  0.750  1.0
  Zn  Zn2  1  0.781  0.240  0.249  1.0
  Zn  Zn3  1  0.219  0.240  0.749  1.0
  Cr  Cr4  1  0.246  0.001  0.499  1.0
  Cr  Cr5  1  0.754  0.001  0.999  1.0
  Sn  Sn6  1  0.245  0.501  0.999  1.0
  Sn  Sn7  1  0.755  0.501  0.499  1.0
  O  O8  1  0.804  0.336  0.754  1.0
  O  O9  1  0.032  0.147  0.058  1.0
  O  O10  1  0.043  0.769  0.444  1.0
  O  O11  1  0.561  0.247  0.063  1.0
  O  O12  1  0.558  0.879  0.436  1.0
  O  O13  1  0.279  0.618  0.747  1.0
  O  O14  1  0.196  0.336  0.254  1.0
  O  O15  1  0.968  0.147  0.558  1.0
  O  O16  1  0.957  0.769  0.944  1.0
  O  O17  1  0.439  0.247  0.563  1.0
  O  O18  1  0.442  0.879  0.936  1.0
  O  O19  1  0.721  0.618  0.247  1.0
[/CIF]
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The material structure described by LaCrZnSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. Sn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SnO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one Cr(1), one Zn(1), and one Sn(1) atom to form distorted corner-sharing OLaZnCrSn tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Cr(1), one Zn(1), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent La(1), one Cr(1), one Zn(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded to one La(1), one Cr(1), one Zn(1), and one Sn(1) atom to form distorted corner-sharing OLaZnCrSn tetrahedra. is represented by the CIF card [CIF]
data_LaZnCrSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.601
_cell_length_b   5.457
_cell_length_c   9.608
_cell_angle_alpha   55.632
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.398
_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
  La  La0  1  0.287  0.761  0.250  1.0
  La  La1  1  0.713  0.761  0.750  1.0
  Zn  Zn2  1  0.781  0.240  0.249  1.0
  Zn  Zn3  1  0.219  0.240  0.749  1.0
  Cr  Cr4  1  0.246  0.001  0.499  1.0
  Cr  Cr5  1  0.754  0.001  0.999  1.0
  Sn  Sn6  1  0.245  0.501  0.999  1.0
  Sn  Sn7  1  0.755  0.501  0.499  1.0
  O  O8  1  0.804  0.336  0.754  1.0
  O  O9  1  0.032  0.147  0.058  1.0
  O  O10  1  0.043  0.769  0.444  1.0
  O  O11  1  0.561  0.247  0.063  1.0
  O  O12  1  0.558  0.879  0.436  1.0
  O  O13  1  0.279  0.618  0.747  1.0
  O  O14  1  0.196  0.336  0.254  1.0
  O  O15  1  0.968  0.147  0.558  1.0
  O  O16  1  0.957  0.769  0.944  1.0
  O  O17  1  0.439  0.247  0.563  1.0
  O  O18  1  0.442  0.879  0.936  1.0
  O  O19  1  0.721  0.618  0.247  1.0
[/CIF]
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