The material structure described by Sr3LiTaO6 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ta(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Sr(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3LiTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.845
_cell_length_b   6.845
_cell_length_c   6.845
_cell_angle_alpha   92.691
_cell_angle_beta   92.691
_cell_angle_gamma   92.691
_symmetry_Int_Tables_number   1
_cell_volume   319.569
_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
  Sr  Sr0  1  0.102  0.750  0.398  1.0
  Sr  Sr1  1  0.398  0.102  0.750  1.0
  Sr  Sr2  1  0.750  0.398  0.102  1.0
  Sr  Sr3  1  0.898  0.250  0.602  1.0
  Sr  Sr4  1  0.602  0.898  0.250  1.0
  Sr  Sr5  1  0.250  0.602  0.898  1.0
  Li  Li6  1  0.250  0.250  0.250  1.0
  Li  Li7  1  0.750  0.750  0.750  1.0
  Ta  Ta8  1  0.500  0.500  0.500  1.0
  Ta  Ta9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.219  0.420  0.548  1.0
  O  O11  1  0.548  0.219  0.420  1.0
  O  O12  1  0.420  0.548  0.219  1.0
  O  O13  1  0.048  0.920  0.719  1.0
  O  O14  1  0.719  0.048  0.920  1.0
  O  O15  1  0.920  0.719  0.048  1.0
  O  O16  1  0.781  0.580  0.452  1.0
  O  O17  1  0.452  0.781  0.580  1.0
  O  O18  1  0.580  0.452  0.781  1.0
  O  O19  1  0.952  0.080  0.281  1.0
  O  O20  1  0.281  0.952  0.080  1.0
  O  O21  1  0.080  0.281  0.952  1.0
[/CIF]
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The material structure described by Sr3LiTaO6 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Ta(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Sr(1), and one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3LiTaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.845
_cell_length_b   6.845
_cell_length_c   6.845
_cell_angle_alpha   92.691
_cell_angle_beta   92.691
_cell_angle_gamma   92.691
_symmetry_Int_Tables_number   1
_cell_volume   319.569
_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
  Sr  Sr0  1  0.102  0.750  0.398  1.0
  Sr  Sr1  1  0.398  0.102  0.750  1.0
  Sr  Sr2  1  0.750  0.398  0.102  1.0
  Sr  Sr3  1  0.898  0.250  0.602  1.0
  Sr  Sr4  1  0.602  0.898  0.250  1.0
  Sr  Sr5  1  0.250  0.602  0.898  1.0
  Li  Li6  1  0.250  0.250  0.250  1.0
  Li  Li7  1  0.750  0.750  0.750  1.0
  Ta  Ta8  1  0.500  0.500  0.500  1.0
  Ta  Ta9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.219  0.420  0.548  1.0
  O  O11  1  0.548  0.219  0.420  1.0
  O  O12  1  0.420  0.548  0.219  1.0
  O  O13  1  0.048  0.920  0.719  1.0
  O  O14  1  0.719  0.048  0.920  1.0
  O  O15  1  0.920  0.719  0.048  1.0
  O  O16  1  0.781  0.580  0.452  1.0
  O  O17  1  0.452  0.781  0.580  1.0
  O  O18  1  0.580  0.452  0.781  1.0
  O  O19  1  0.952  0.080  0.281  1.0
  O  O20  1  0.281  0.952  0.080  1.0
  O  O21  1  0.080  0.281  0.952  1.0
[/CIF]
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