The crystal structure described by La2Cr2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 20°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CrO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Cr(2) atoms to form corner-sharing OLa2Cr2 tetrahedra. is represented by the CIF card [CIF]
data_La2Cr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   8.895
_cell_length_c   8.895
_cell_angle_alpha   143.595
_cell_angle_beta   142.252
_cell_angle_gamma   53.448
_symmetry_Int_Tables_number   1
_cell_volume   254.114
_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  0.892  0.385  0.512  1.0
  La  La1  1  0.108  0.620  0.493  1.0
  La  La2  1  0.373  0.885  0.493  1.0
  La  La3  1  0.627  0.120  0.512  1.0
  Cr  Cr4  1  0.000  0.009  0.009  1.0
  Cr  Cr5  1  0.500  0.509  0.009  1.0
  Cr  Cr6  1  0.743  0.746  0.988  1.0
  Cr  Cr7  1  0.257  0.246  0.003  1.0
  O  O8  1  0.276  0.277  0.509  1.0
  O  O9  1  0.724  0.233  0.001  1.0
  O  O10  1  0.268  0.777  0.001  1.0
  O  O11  1  0.732  0.733  0.509  1.0
  O  O12  1  0.953  0.898  0.102  1.0
  O  O13  1  0.047  0.149  0.945  1.0
  O  O14  1  0.296  0.398  0.945  1.0
  O  O15  1  0.704  0.649  0.102  1.0
  O  O16  1  0.626  0.347  0.473  1.0
  O  O17  1  0.374  0.847  0.721  1.0
[/CIF]
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The crystal structure described by La2Cr2O5 crystallizes in the orthorhombic Ima2 space group. La(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 20°. In the second Cr site, Cr(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CrO4 trigonal pyramids that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded to two equivalent La(1) and two equivalent Cr(2) atoms to form corner-sharing OLa2Cr2 tetrahedra. is represented by the CIF card [CIF]
data_La2Cr2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   8.895
_cell_length_c   8.895
_cell_angle_alpha   143.595
_cell_angle_beta   142.252
_cell_angle_gamma   53.448
_symmetry_Int_Tables_number   1
_cell_volume   254.114
_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  0.892  0.385  0.512  1.0
  La  La1  1  0.108  0.620  0.493  1.0
  La  La2  1  0.373  0.885  0.493  1.0
  La  La3  1  0.627  0.120  0.512  1.0
  Cr  Cr4  1  0.000  0.009  0.009  1.0
  Cr  Cr5  1  0.500  0.509  0.009  1.0
  Cr  Cr6  1  0.743  0.746  0.988  1.0
  Cr  Cr7  1  0.257  0.246  0.003  1.0
  O  O8  1  0.276  0.277  0.509  1.0
  O  O9  1  0.724  0.233  0.001  1.0
  O  O10  1  0.268  0.777  0.001  1.0
  O  O11  1  0.732  0.733  0.509  1.0
  O  O12  1  0.953  0.898  0.102  1.0
  O  O13  1  0.047  0.149  0.945  1.0
  O  O14  1  0.296  0.398  0.945  1.0
  O  O15  1  0.704  0.649  0.102  1.0
  O  O16  1  0.626  0.347  0.473  1.0
  O  O17  1  0.374  0.847  0.721  1.0
[/CIF]
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