The material structure described by LaCrSnO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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 14-26°. 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 14-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. 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 distorted T-shaped geometry to one La(1), one Cr(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.523
_cell_length_c   5.534
_cell_angle_alpha   90.549
_cell_angle_beta   119.684
_cell_angle_gamma   119.601
_symmetry_Int_Tables_number   1
_cell_volume   119.584
_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
  La  La0  1  0.986  0.242  0.248  1.0
  Cr  Cr1  1  0.495  0.005  0.501  1.0
  Sn  Sn2  1  0.491  0.500  0.998  1.0
  O  O3  1  0.408  0.676  0.253  1.0
  O  O4  1  0.498  0.800  0.770  1.0
  O  O5  1  0.516  0.210  0.217  1.0
  O  O6  1  0.013  0.810  0.269  1.0
  O  O7  1  0.963  0.204  0.690  1.0
  O  O8  1  0.529  0.293  0.712  1.0
[/CIF]
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The material structure described by LaCrSnO6 crystallizes in the triclinic P1 space group. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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 14-26°. 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 14-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. 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 distorted T-shaped geometry to one La(1), one Cr(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one La(1), one Cr(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCrSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   5.523
_cell_length_c   5.534
_cell_angle_alpha   90.549
_cell_angle_beta   119.684
_cell_angle_gamma   119.601
_symmetry_Int_Tables_number   1
_cell_volume   119.584
_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
  La  La0  1  0.986  0.242  0.248  1.0
  Cr  Cr1  1  0.495  0.005  0.501  1.0
  Sn  Sn2  1  0.491  0.500  0.998  1.0
  O  O3  1  0.408  0.676  0.253  1.0
  O  O4  1  0.498  0.800  0.770  1.0
  O  O5  1  0.516  0.210  0.217  1.0
  O  O6  1  0.013  0.810  0.269  1.0
  O  O7  1  0.963  0.204  0.690  1.0
  O  O8  1  0.529  0.293  0.712  1.0
[/CIF]
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