The material described by La3OsO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second La site, La(2) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent La(2)O7 pentagonal bipyramids, edges with two equivalent Os(1)O6 octahedra, and edges with two equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. Os(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with two equivalent Os(1)O6 octahedra, corners with four equivalent La(2)O7 pentagonal bipyramids, and edges with four equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Os(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Os(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3OsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   7.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.401
_symmetry_Int_Tables_number   1
_cell_volume   321.095
_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  0.500  0.500  0.000  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  La  La2  1  0.412  0.966  0.750  1.0
  La  La3  1  0.588  0.034  0.250  1.0
  La  La4  1  0.966  0.412  0.750  1.0
  La  La5  1  0.034  0.588  0.250  1.0
  Os  Os6  1  0.000  0.000  0.000  1.0
  Os  Os7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.600  0.339  0.750  1.0
  O  O9  1  0.400  0.661  0.250  1.0
  O  O10  1  0.339  0.600  0.750  1.0
  O  O11  1  0.661  0.400  0.250  1.0
  O  O12  1  0.307  0.058  0.041  1.0
  O  O13  1  0.693  0.942  0.541  1.0
  O  O14  1  0.058  0.307  0.459  1.0
  O  O15  1  0.942  0.693  0.959  1.0
  O  O16  1  0.919  0.919  0.250  1.0
  O  O17  1  0.081  0.081  0.750  1.0
  O  O18  1  0.058  0.307  0.041  1.0
  O  O19  1  0.942  0.693  0.541  1.0
  O  O20  1  0.307  0.058  0.459  1.0
  O  O21  1  0.693  0.942  0.959  1.0
[/CIF]
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The material described by La3OsO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second La site, La(2) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted LaO7 pentagonal bipyramids that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent La(2)O7 pentagonal bipyramids, edges with two equivalent Os(1)O6 octahedra, and edges with two equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 33°. Os(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with two equivalent Os(1)O6 octahedra, corners with four equivalent La(2)O7 pentagonal bipyramids, and edges with four equivalent La(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(2), and one Os(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Os(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3OsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   7.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.401
_symmetry_Int_Tables_number   1
_cell_volume   321.095
_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  0.500  0.500  0.000  1.0
  La  La1  1  0.500  0.500  0.500  1.0
  La  La2  1  0.412  0.966  0.750  1.0
  La  La3  1  0.588  0.034  0.250  1.0
  La  La4  1  0.966  0.412  0.750  1.0
  La  La5  1  0.034  0.588  0.250  1.0
  Os  Os6  1  0.000  0.000  0.000  1.0
  Os  Os7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.600  0.339  0.750  1.0
  O  O9  1  0.400  0.661  0.250  1.0
  O  O10  1  0.339  0.600  0.750  1.0
  O  O11  1  0.661  0.400  0.250  1.0
  O  O12  1  0.307  0.058  0.041  1.0
  O  O13  1  0.693  0.942  0.541  1.0
  O  O14  1  0.058  0.307  0.459  1.0
  O  O15  1  0.942  0.693  0.959  1.0
  O  O16  1  0.919  0.919  0.250  1.0
  O  O17  1  0.081  0.081  0.750  1.0
  O  O18  1  0.058  0.307  0.041  1.0
  O  O19  1  0.942  0.693  0.541  1.0
  O  O20  1  0.307  0.058  0.459  1.0
  O  O21  1  0.693  0.942  0.959  1.0
[/CIF]
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