The compound described by La5Re3FeO16 crystallizes in the triclinic P-1 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(12), two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms. In the second La site, La(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(8), and two equivalent O(14) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one O(11), one O(3), one O(5), one O(7), one O(9), and two equivalent O(13) atoms. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(16), one O(3), one O(6), and one O(8) atom. In the sixth La site, La(6) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(4), one O(5), one O(7), and one O(9) atom. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(13), one O(14), one O(15), one O(16), one O(7), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. In the second Re site, Re(2) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom to form ReO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra and  an edgeedge with one Re(3)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the third Re site, Re(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form ReO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(14), two equivalent O(15), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Re(3)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the second Fe site, Fe(2) is bonded to two equivalent O(13), two equivalent O(16), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(2), one Re(2), and one Re(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Re(2), and one Re(3) atom. In the third O site, O(3) is bonded to one La(2), one La(4), one La(5), and one Re(2) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(6)La2FeRe tetrahedra,  a cornercorner with one O(3)La3Re tetrahedra, and corners with two equivalent O(5)La2FeRe tetrahedra. In the fourth O site, O(4) is bonded to one La(1), one La(3), one La(6), and one Re(3) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(5)La2FeRe tetrahedra,  a cornercorner with one O(4)La3Re tetrahedra, and corners with two equivalent O(6)La2FeRe tetrahedra. In the fifth O site, O(5) is bonded to one La(4), one La(6), one Re(2), and one Fe(2) atom to form distorted OLa2FeRe tetrahedra that share  a cornercorner with one O(5)La2FeRe tetrahedra,  a cornercorner with one O(4)La3Re tetrahedra, and corners with two equivalent O(3)La3Re tetrahedra. In the sixth O site, O(6) is bonded to one La(3), one La(5), one Re(3), and one Fe(1) atom to form distorted OLa2FeRe tetrahedra that share  a cornercorner with one O(6)La2FeRe tetrahedra,  a cornercorner with one O(3)La3Re tetrahedra, and corners with two equivalent O(4)La3Re tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one La(4), one La(6), and one Re(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one La(3), one La(5), and one Re(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one La(1), one La(4), one La(6), and one Re(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(5), and one Re(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one La(2), one La(4), one La(5), and one Re(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(6), and one Re(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent La(4), one Re(1), and one Fe(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent La(3), one Re(1), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(6), one Re(1), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(5), one Re(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5FeRe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   5.706
_cell_length_c   10.284
_cell_angle_alpha   93.855
_cell_angle_beta   93.583
_cell_angle_gamma   90.271
_symmetry_Int_Tables_number   1
_cell_volume   333.105
_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
  Fe  Fe0  1  0.500  0.500  1.000  1.0
  La  La1  1  1.000  1.000  0.500  1.0
  La  La2  1  0.513  0.024  0.197  1.0
  La  La3  1  0.487  0.976  0.803  1.0
  La  La4  1  0.033  0.503  0.207  1.0
  La  La5  1  0.967  0.497  0.793  1.0
  O  O6  1  0.310  0.306  0.435  1.0
  O  O7  1  0.690  0.694  0.565  1.0
  O  O8  1  0.225  0.221  0.675  1.0
  O  O9  1  0.775  0.779  0.325  1.0
  O  O10  1  0.547  0.548  0.801  1.0
  O  O11  1  0.453  0.452  0.199  1.0
  O  O12  1  0.921  0.921  0.816  1.0
  O  O13  1  0.079  0.079  0.184  1.0
  O  O14  1  0.703  0.232  0.636  1.0
  O  O15  1  0.297  0.768  0.364  1.0
  O  O16  1  0.225  0.697  0.635  1.0
  O  O17  1  0.775  0.303  0.365  1.0
  O  O18  1  0.305  0.814  0.996  1.0
  O  O19  1  0.695  0.186  0.004  1.0
  O  O20  1  0.825  0.715  0.039  1.0
  O  O21  1  0.174  0.285  0.961  1.0
  Re  Re22  1  1.000  1.000  0.000  1.0
  Re  Re23  1  0.445  0.445  0.605  1.0
  Re  Re24  1  0.555  0.555  0.395  1.0
[/CIF]
.
The compound described by La5Re3FeO16 crystallizes in the triclinic P-1 space group. There are six inequivalent La sites. In the first La site, La(1) is bonded in a body-centered cubic geometry to two equivalent O(12), two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms. In the second La site, La(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms. In the third La site, La(3) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(8), and two equivalent O(14) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one O(11), one O(3), one O(5), one O(7), one O(9), and two equivalent O(13) atoms. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(16), one O(3), one O(6), and one O(8) atom. In the sixth La site, La(6) is bonded in a 6-coordinate geometry to one O(12), one O(15), one O(4), one O(5), one O(7), and one O(9) atom. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(13), one O(14), one O(15), one O(16), one O(7), and one O(8) atom to form ReO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. In the second Re site, Re(2) is bonded to one O(1), one O(11), one O(2), one O(3), one O(5), and one O(9) atom to form ReO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra and  an edgeedge with one Re(3)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the third Re site, Re(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(6) atom to form ReO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra and  an edgeedge with one Re(2)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(14), two equivalent O(15), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Re(3)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the second Fe site, Fe(2) is bonded to two equivalent O(13), two equivalent O(16), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Re(2)O6 octahedra and corners with four equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(2), one Re(2), and one Re(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Re(2), and one Re(3) atom. In the third O site, O(3) is bonded to one La(2), one La(4), one La(5), and one Re(2) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(6)La2FeRe tetrahedra,  a cornercorner with one O(3)La3Re tetrahedra, and corners with two equivalent O(5)La2FeRe tetrahedra. In the fourth O site, O(4) is bonded to one La(1), one La(3), one La(6), and one Re(3) atom to form OLa3Re tetrahedra that share  a cornercorner with one O(5)La2FeRe tetrahedra,  a cornercorner with one O(4)La3Re tetrahedra, and corners with two equivalent O(6)La2FeRe tetrahedra. In the fifth O site, O(5) is bonded to one La(4), one La(6), one Re(2), and one Fe(2) atom to form distorted OLa2FeRe tetrahedra that share  a cornercorner with one O(5)La2FeRe tetrahedra,  a cornercorner with one O(4)La3Re tetrahedra, and corners with two equivalent O(3)La3Re tetrahedra. In the sixth O site, O(6) is bonded to one La(3), one La(5), one Re(3), and one Fe(1) atom to form distorted OLa2FeRe tetrahedra that share  a cornercorner with one O(6)La2FeRe tetrahedra,  a cornercorner with one O(3)La3Re tetrahedra, and corners with two equivalent O(4)La3Re tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one La(4), one La(6), and one Re(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one La(3), one La(5), and one Re(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one La(1), one La(4), one La(6), and one Re(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(5), and one Re(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one La(2), one La(4), one La(5), and one Re(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(6), and one Re(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent La(4), one Re(1), and one Fe(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent La(3), one Re(1), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(6), one Re(1), and one Fe(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(5), one Re(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5FeRe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.701
_cell_length_b   5.706
_cell_length_c   10.284
_cell_angle_alpha   93.855
_cell_angle_beta   93.583
_cell_angle_gamma   90.271
_symmetry_Int_Tables_number   1
_cell_volume   333.105
_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
  Fe  Fe0  1  0.500  0.500  1.000  1.0
  La  La1  1  1.000  1.000  0.500  1.0
  La  La2  1  0.513  0.024  0.197  1.0
  La  La3  1  0.487  0.976  0.803  1.0
  La  La4  1  0.033  0.503  0.207  1.0
  La  La5  1  0.967  0.497  0.793  1.0
  O  O6  1  0.310  0.306  0.435  1.0
  O  O7  1  0.690  0.694  0.565  1.0
  O  O8  1  0.225  0.221  0.675  1.0
  O  O9  1  0.775  0.779  0.325  1.0
  O  O10  1  0.547  0.548  0.801  1.0
  O  O11  1  0.453  0.452  0.199  1.0
  O  O12  1  0.921  0.921  0.816  1.0
  O  O13  1  0.079  0.079  0.184  1.0
  O  O14  1  0.703  0.232  0.636  1.0
  O  O15  1  0.297  0.768  0.364  1.0
  O  O16  1  0.225  0.697  0.635  1.0
  O  O17  1  0.775  0.303  0.365  1.0
  O  O18  1  0.305  0.814  0.996  1.0
  O  O19  1  0.695  0.186  0.004  1.0
  O  O20  1  0.825  0.715  0.039  1.0
  O  O21  1  0.174  0.285  0.961  1.0
  Re  Re22  1  1.000  1.000  0.000  1.0
  Re  Re23  1  0.445  0.445  0.605  1.0
  Re  Re24  1  0.555  0.555  0.395  1.0
[/CIF]
.