The material described by La5Os3MnO16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third La site, La(3) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Mn(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Os(1)O6 octahedra and corners with four equivalent Os(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form OsO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra and  an edgeedge with one Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the second Os site, Os(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form OsO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Os(1) atoms. In the second O site, O(2) is bonded to one La(1), one La(2), one La(3), and one Os(1) atom to form OLa3Os tetrahedra that share  a cornercorner with one O(2)La3Os tetrahedra, corners with three equivalent O(3)La2MnOs tetrahedra,  a cornercorner with one O(5)La3Os trigonal pyramid,  a cornercorner with one O(6)La3Os trigonal pyramid, edges with two equivalent O(5)La3Os trigonal pyramids, and edges with two equivalent O(6)La3Os trigonal pyramids. In the third O site, O(3) is bonded to one La(1), one La(2), one Mn(1), and one Os(1) atom to form distorted OLa2MnOs tetrahedra that share  a cornercorner with one O(3)La2MnOs tetrahedra, corners with three equivalent O(2)La3Os tetrahedra,  a cornercorner with one O(5)La3Os trigonal pyramid,  a cornercorner with one O(6)La3Os trigonal pyramid,  an edgeedge with one O(5)La3Os trigonal pyramid, and  an edgeedge with one O(6)La3Os trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Os(2) atom. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Os(1) atom to form distorted OLa3Os trigonal pyramids that share  a cornercorner with one O(3)La2MnOs tetrahedra,  a cornercorner with one O(2)La3Os tetrahedra,  a cornercorner with one O(5)La3Os trigonal pyramid, corners with five equivalent O(6)La3Os trigonal pyramids,  an edgeedge with one O(3)La2MnOs tetrahedra, and edges with two equivalent O(2)La3Os tetrahedra. In the sixth O site, O(6) is bonded to one La(1), one La(2), one La(3), and one Os(1) atom to form distorted OLa3Os trigonal pyramids that share  a cornercorner with one O(3)La2MnOs tetrahedra,  a cornercorner with one O(2)La3Os tetrahedra,  a cornercorner with one O(6)La3Os trigonal pyramid, corners with five equivalent O(5)La3Os trigonal pyramids,  an edgeedge with one O(3)La2MnOs tetrahedra, and edges with two equivalent O(2)La3Os tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mn(1), and one Os(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one Mn(1), and one Os(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5MnOs3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   5.717
_cell_length_c   10.255
_cell_angle_alpha   94.006
_cell_angle_beta   93.763
_cell_angle_gamma   90.864
_symmetry_Int_Tables_number   1
_cell_volume   332.956
_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
  La  La0  1  0.512  0.027  0.203  1.0
  La  La1  1  0.488  0.973  0.797  1.0
  La  La2  1  0.033  0.506  0.209  1.0
  La  La3  1  0.967  0.494  0.791  1.0
  La  La4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Os  Os6  1  0.447  0.448  0.607  1.0
  Os  Os7  1  0.553  0.552  0.393  1.0
  Os  Os8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.320  0.306  0.433  1.0
  O  O10  1  0.680  0.694  0.567  1.0
  O  O11  1  0.229  0.222  0.675  1.0
  O  O12  1  0.771  0.778  0.325  1.0
  O  O13  1  0.539  0.545  0.796  1.0
  O  O14  1  0.461  0.455  0.204  1.0
  O  O15  1  0.917  0.921  0.813  1.0
  O  O16  1  0.083  0.079  0.187  1.0
  O  O17  1  0.701  0.221  0.634  1.0
  O  O18  1  0.299  0.779  0.366  1.0
  O  O19  1  0.206  0.689  0.631  1.0
  O  O20  1  0.794  0.311  0.369  1.0
  O  O21  1  0.297  0.818  0.995  1.0
  O  O22  1  0.703  0.182  0.005  1.0
  O  O23  1  0.822  0.710  0.037  1.0
  O  O24  1  0.178  0.290  0.963  1.0
[/CIF]
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The material described by La5Os3MnO16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third La site, La(3) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Mn(1) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Os(1)O6 octahedra and corners with four equivalent Os(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form OsO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra and  an edgeedge with one Os(1)O6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the second Os site, Os(2) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form OsO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Os(1) atoms. In the second O site, O(2) is bonded to one La(1), one La(2), one La(3), and one Os(1) atom to form OLa3Os tetrahedra that share  a cornercorner with one O(2)La3Os tetrahedra, corners with three equivalent O(3)La2MnOs tetrahedra,  a cornercorner with one O(5)La3Os trigonal pyramid,  a cornercorner with one O(6)La3Os trigonal pyramid, edges with two equivalent O(5)La3Os trigonal pyramids, and edges with two equivalent O(6)La3Os trigonal pyramids. In the third O site, O(3) is bonded to one La(1), one La(2), one Mn(1), and one Os(1) atom to form distorted OLa2MnOs tetrahedra that share  a cornercorner with one O(3)La2MnOs tetrahedra, corners with three equivalent O(2)La3Os tetrahedra,  a cornercorner with one O(5)La3Os trigonal pyramid,  a cornercorner with one O(6)La3Os trigonal pyramid,  an edgeedge with one O(5)La3Os trigonal pyramid, and  an edgeedge with one O(6)La3Os trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Os(2) atom. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Os(1) atom to form distorted OLa3Os trigonal pyramids that share  a cornercorner with one O(3)La2MnOs tetrahedra,  a cornercorner with one O(2)La3Os tetrahedra,  a cornercorner with one O(5)La3Os trigonal pyramid, corners with five equivalent O(6)La3Os trigonal pyramids,  an edgeedge with one O(3)La2MnOs tetrahedra, and edges with two equivalent O(2)La3Os tetrahedra. In the sixth O site, O(6) is bonded to one La(1), one La(2), one La(3), and one Os(1) atom to form distorted OLa3Os trigonal pyramids that share  a cornercorner with one O(3)La2MnOs tetrahedra,  a cornercorner with one O(2)La3Os tetrahedra,  a cornercorner with one O(6)La3Os trigonal pyramid, corners with five equivalent O(5)La3Os trigonal pyramids,  an edgeedge with one O(3)La2MnOs tetrahedra, and edges with two equivalent O(2)La3Os tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mn(1), and one Os(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one Mn(1), and one Os(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5MnOs3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.706
_cell_length_b   5.717
_cell_length_c   10.255
_cell_angle_alpha   94.006
_cell_angle_beta   93.763
_cell_angle_gamma   90.864
_symmetry_Int_Tables_number   1
_cell_volume   332.956
_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
  La  La0  1  0.512  0.027  0.203  1.0
  La  La1  1  0.488  0.973  0.797  1.0
  La  La2  1  0.033  0.506  0.209  1.0
  La  La3  1  0.967  0.494  0.791  1.0
  La  La4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Os  Os6  1  0.447  0.448  0.607  1.0
  Os  Os7  1  0.553  0.552  0.393  1.0
  Os  Os8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.320  0.306  0.433  1.0
  O  O10  1  0.680  0.694  0.567  1.0
  O  O11  1  0.229  0.222  0.675  1.0
  O  O12  1  0.771  0.778  0.325  1.0
  O  O13  1  0.539  0.545  0.796  1.0
  O  O14  1  0.461  0.455  0.204  1.0
  O  O15  1  0.917  0.921  0.813  1.0
  O  O16  1  0.083  0.079  0.187  1.0
  O  O17  1  0.701  0.221  0.634  1.0
  O  O18  1  0.299  0.779  0.366  1.0
  O  O19  1  0.206  0.689  0.631  1.0
  O  O20  1  0.794  0.311  0.369  1.0
  O  O21  1  0.297  0.818  0.995  1.0
  O  O22  1  0.703  0.182  0.005  1.0
  O  O23  1  0.822  0.710  0.037  1.0
  O  O24  1  0.178  0.290  0.963  1.0
[/CIF]
.