The material described by LiSr2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and four equivalent O(1) atoms. Sr(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sr(1), one La(1), and one Ta(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr2LiLaTa trigonal bipyramids. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one La(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiLaTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.076
_cell_length_c   6.300
_cell_angle_alpha   61.171
_cell_angle_beta   59.447
_cell_angle_gamma   61.171
_symmetry_Int_Tables_number   1
_cell_volume   172.741
_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  0.816  0.684  0.816  1.0
  Sr  Sr1  1  0.184  0.316  0.184  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  La  La3  1  0.500  0.500  0.500  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.772  0.764  0.228  1.0
  O  O6  1  0.228  0.236  0.772  1.0
  O  O7  1  0.776  0.224  0.776  1.0
  O  O8  1  0.224  0.776  0.224  1.0
  O  O9  1  0.228  0.764  0.772  1.0
  O  O10  1  0.772  0.236  0.228  1.0
[/CIF]
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The material described by LiSr2LaTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and four equivalent O(1) atoms. Sr(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. La(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Sr(1), one La(1), and one Ta(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr2LiLaTa trigonal bipyramids. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one La(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiLaTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.076
_cell_length_c   6.300
_cell_angle_alpha   61.171
_cell_angle_beta   59.447
_cell_angle_gamma   61.171
_symmetry_Int_Tables_number   1
_cell_volume   172.741
_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  0.816  0.684  0.816  1.0
  Sr  Sr1  1  0.184  0.316  0.184  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  La  La3  1  0.500  0.500  0.500  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.772  0.764  0.228  1.0
  O  O6  1  0.228  0.236  0.772  1.0
  O  O7  1  0.776  0.224  0.776  1.0
  O  O8  1  0.224  0.776  0.224  1.0
  O  O9  1  0.228  0.764  0.772  1.0
  O  O10  1  0.772  0.236  0.228  1.0
[/CIF]
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