The material structure described by LuSc(FeO3)2 crystallizes in the trigonal P3 space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(5), and three equivalent O(9) atoms. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(5), and three equivalent O(9) atoms. In the third Lu site, Lu(3) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(10), and three equivalent O(6) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(10), and three equivalent O(6) atoms. In the second Sc site, Sc(2) is bonded to one O(7), three equivalent O(5), and three equivalent O(9) atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent Fe(1)O5 trigonal bipyramids and edges with three equivalent Fe(2)O5 trigonal bipyramids. In the third Sc site, Sc(3) is bonded to one O(8), three equivalent O(10), and three equivalent O(6) atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent Fe(2)O5 trigonal bipyramids and edges with three equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(5), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O7 pentagonal bipyramid, corners with six equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Sc(3)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Sc(3)O7 pentagonal bipyramid, corners with six equivalent Fe(2)O5 trigonal bipyramids, and  an edgeedge with one Sc(2)O7 pentagonal bipyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Lu(1) and three equivalent Fe(1) atoms to form distorted OLuFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(2)LuFe3 trigonal pyramids, corners with three equivalent O(8)ScFe3 trigonal pyramids, and edges with three equivalent O(5)Lu2ScFe tetrahedra. In the second O site, O(2) is bonded to one Lu(2) and three equivalent Fe(1) atoms to form distorted OLuFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(1)LuFe3 trigonal pyramids, corners with three equivalent O(8)ScFe3 trigonal pyramids, and edges with three equivalent O(5)Lu2ScFe tetrahedra. In the third O site, O(3) is bonded to one Lu(3) and three equivalent Fe(2) atoms to form distorted OLuFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(4)ScFe3 trigonal pyramids, corners with three equivalent O(7)ScFe3 trigonal pyramids, and edges with three equivalent O(6)LuSc2Fe tetrahedra. In the fourth O site, O(4) is bonded to one Sc(1) and three equivalent Fe(2) atoms to form distorted OScFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(3)LuFe3 trigonal pyramids, corners with three equivalent O(7)ScFe3 trigonal pyramids, and edges with three equivalent O(6)LuSc2Fe tetrahedra. In the fifth O site, O(5) is bonded to one Lu(1), one Lu(2), one Sc(2), and one Fe(1) atom to form OLu2ScFe tetrahedra that share  a cornercorner with one O(10)LuSc2Fe tetrahedra, corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with six equivalent O(5)Lu2ScFe tetrahedra,  a cornercorner with one O(7)ScFe3 trigonal pyramid,  a cornercorner with one O(8)ScFe3 trigonal pyramid, edges with three equivalent O(9)Lu2ScFe tetrahedra,  an edgeedge with one O(1)LuFe3 trigonal pyramid, and  an edgeedge with one O(2)LuFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Lu(3), one Sc(1), one Sc(3), and one Fe(2) atom to form OLuSc2Fe tetrahedra that share  a cornercorner with one O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with six equivalent O(6)LuSc2Fe tetrahedra,  a cornercorner with one O(7)ScFe3 trigonal pyramid,  a cornercorner with one O(8)ScFe3 trigonal pyramid, edges with three equivalent O(10)LuSc2Fe tetrahedra,  an edgeedge with one O(3)LuFe3 trigonal pyramid, and  an edgeedge with one O(4)ScFe3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Sc(2) and three equivalent Fe(2) atoms to form OScFe3 trigonal pyramids that share corners with three equivalent O(5)Lu2ScFe tetrahedra, corners with three equivalent O(6)LuSc2Fe tetrahedra, corners with three equivalent O(3)LuFe3 trigonal pyramids, corners with three equivalent O(4)ScFe3 trigonal pyramids, and edges with three equivalent O(9)Lu2ScFe tetrahedra. In the eighth O site, O(8) is bonded to one Sc(3) and three equivalent Fe(1) atoms to form OScFe3 trigonal pyramids that share corners with three equivalent O(5)Lu2ScFe tetrahedra, corners with three equivalent O(6)LuSc2Fe tetrahedra, corners with three equivalent O(1)LuFe3 trigonal pyramids, corners with three equivalent O(2)LuFe3 trigonal pyramids, and edges with three equivalent O(10)LuSc2Fe tetrahedra. In the ninth O site, O(9) is bonded to one Lu(1), one Lu(2), one Sc(2), and one Fe(2) atom to form OLu2ScFe tetrahedra that share  a cornercorner with one O(6)LuSc2Fe tetrahedra, corners with three equivalent O(5)Lu2ScFe tetrahedra, corners with six equivalent O(9)Lu2ScFe tetrahedra,  a cornercorner with one O(1)LuFe3 trigonal pyramid,  a cornercorner with one O(2)LuFe3 trigonal pyramid,  a cornercorner with one O(3)LuFe3 trigonal pyramid,  a cornercorner with one O(4)ScFe3 trigonal pyramid, edges with three equivalent O(5)Lu2ScFe tetrahedra, and  an edgeedge with one O(7)ScFe3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Lu(3), one Sc(1), one Sc(3), and one Fe(1) atom to form OLuSc2Fe tetrahedra that share  a cornercorner with one O(5)Lu2ScFe tetrahedra, corners with three equivalent O(6)LuSc2Fe tetrahedra, corners with six equivalent O(10)LuSc2Fe tetrahedra,  a cornercorner with one O(1)LuFe3 trigonal pyramid,  a cornercorner with one O(2)LuFe3 trigonal pyramid,  a cornercorner with one O(3)LuFe3 trigonal pyramid,  a cornercorner with one O(4)ScFe3 trigonal pyramid, edges with three equivalent O(6)LuSc2Fe tetrahedra, and  an edgeedge with one O(8)ScFe3 trigonal pyramid. is represented by the CIF card [CIF]
data_LuSc(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   5.950
_cell_length_c   11.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   358.442
_cell_formula_units_Z   3
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
  Lu  Lu0  1  0.333  0.667  0.733  1.0
  Lu  Lu1  1  0.000  0.000  0.733  1.0
  Lu  Lu2  1  0.000  0.000  0.233  1.0
  Sc  Sc3  1  0.333  0.667  0.234  1.0
  Sc  Sc4  1  0.667  0.333  0.773  1.0
  Sc  Sc5  1  0.667  0.333  0.273  1.0
  Fe  Fe6  1  0.665  0.664  0.499  1.0
  Fe  Fe7  1  0.336  0.001  0.499  1.0
  Fe  Fe8  1  0.999  0.335  0.499  1.0
  Fe  Fe9  1  0.665  0.001  0.001  1.0
  Fe  Fe10  1  0.999  0.664  0.001  1.0
  Fe  Fe11  1  0.336  0.335  0.001  1.0
  O  O12  1  0.333  0.667  0.522  1.0
  O  O13  1  0.000  0.000  0.519  1.0
  O  O14  1  0.000  0.000  0.024  1.0
  O  O15  1  0.333  0.667  0.019  1.0
  O  O16  1  0.667  0.632  0.667  1.0
  O  O17  1  0.368  0.035  0.667  1.0
  O  O18  1  0.965  0.333  0.667  1.0
  O  O19  1  0.656  0.024  0.169  1.0
  O  O20  1  0.976  0.633  0.169  1.0
  O  O21  1  0.367  0.344  0.169  1.0
  O  O22  1  0.667  0.333  0.975  1.0
  O  O23  1  0.667  0.333  0.470  1.0
  O  O24  1  0.667  0.982  0.834  1.0
  O  O25  1  0.018  0.685  0.834  1.0
  O  O26  1  0.315  0.333  0.834  1.0
  O  O27  1  0.660  0.685  0.332  1.0
  O  O28  1  0.315  0.974  0.332  1.0
  O  O29  1  0.026  0.340  0.332  1.0
[/CIF]
.
The material structure described by LuSc(FeO3)2 crystallizes in the trigonal P3 space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(5), and three equivalent O(9) atoms. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(5), and three equivalent O(9) atoms. In the third Lu site, Lu(3) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(10), and three equivalent O(6) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(10), and three equivalent O(6) atoms. In the second Sc site, Sc(2) is bonded to one O(7), three equivalent O(5), and three equivalent O(9) atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent Fe(1)O5 trigonal bipyramids and edges with three equivalent Fe(2)O5 trigonal bipyramids. In the third Sc site, Sc(3) is bonded to one O(8), three equivalent O(10), and three equivalent O(6) atoms to form distorted ScO7 pentagonal bipyramids that share corners with three equivalent Fe(2)O5 trigonal bipyramids and edges with three equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(2), one O(5), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O7 pentagonal bipyramid, corners with six equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Sc(3)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Sc(3)O7 pentagonal bipyramid, corners with six equivalent Fe(2)O5 trigonal bipyramids, and  an edgeedge with one Sc(2)O7 pentagonal bipyramid. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Lu(1) and three equivalent Fe(1) atoms to form distorted OLuFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(2)LuFe3 trigonal pyramids, corners with three equivalent O(8)ScFe3 trigonal pyramids, and edges with three equivalent O(5)Lu2ScFe tetrahedra. In the second O site, O(2) is bonded to one Lu(2) and three equivalent Fe(1) atoms to form distorted OLuFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(1)LuFe3 trigonal pyramids, corners with three equivalent O(8)ScFe3 trigonal pyramids, and edges with three equivalent O(5)Lu2ScFe tetrahedra. In the third O site, O(3) is bonded to one Lu(3) and three equivalent Fe(2) atoms to form distorted OLuFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(4)ScFe3 trigonal pyramids, corners with three equivalent O(7)ScFe3 trigonal pyramids, and edges with three equivalent O(6)LuSc2Fe tetrahedra. In the fourth O site, O(4) is bonded to one Sc(1) and three equivalent Fe(2) atoms to form distorted OScFe3 trigonal pyramids that share corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with three equivalent O(3)LuFe3 trigonal pyramids, corners with three equivalent O(7)ScFe3 trigonal pyramids, and edges with three equivalent O(6)LuSc2Fe tetrahedra. In the fifth O site, O(5) is bonded to one Lu(1), one Lu(2), one Sc(2), and one Fe(1) atom to form OLu2ScFe tetrahedra that share  a cornercorner with one O(10)LuSc2Fe tetrahedra, corners with three equivalent O(9)Lu2ScFe tetrahedra, corners with six equivalent O(5)Lu2ScFe tetrahedra,  a cornercorner with one O(7)ScFe3 trigonal pyramid,  a cornercorner with one O(8)ScFe3 trigonal pyramid, edges with three equivalent O(9)Lu2ScFe tetrahedra,  an edgeedge with one O(1)LuFe3 trigonal pyramid, and  an edgeedge with one O(2)LuFe3 trigonal pyramid. In the sixth O site, O(6) is bonded to one Lu(3), one Sc(1), one Sc(3), and one Fe(2) atom to form OLuSc2Fe tetrahedra that share  a cornercorner with one O(9)Lu2ScFe tetrahedra, corners with three equivalent O(10)LuSc2Fe tetrahedra, corners with six equivalent O(6)LuSc2Fe tetrahedra,  a cornercorner with one O(7)ScFe3 trigonal pyramid,  a cornercorner with one O(8)ScFe3 trigonal pyramid, edges with three equivalent O(10)LuSc2Fe tetrahedra,  an edgeedge with one O(3)LuFe3 trigonal pyramid, and  an edgeedge with one O(4)ScFe3 trigonal pyramid. In the seventh O site, O(7) is bonded to one Sc(2) and three equivalent Fe(2) atoms to form OScFe3 trigonal pyramids that share corners with three equivalent O(5)Lu2ScFe tetrahedra, corners with three equivalent O(6)LuSc2Fe tetrahedra, corners with three equivalent O(3)LuFe3 trigonal pyramids, corners with three equivalent O(4)ScFe3 trigonal pyramids, and edges with three equivalent O(9)Lu2ScFe tetrahedra. In the eighth O site, O(8) is bonded to one Sc(3) and three equivalent Fe(1) atoms to form OScFe3 trigonal pyramids that share corners with three equivalent O(5)Lu2ScFe tetrahedra, corners with three equivalent O(6)LuSc2Fe tetrahedra, corners with three equivalent O(1)LuFe3 trigonal pyramids, corners with three equivalent O(2)LuFe3 trigonal pyramids, and edges with three equivalent O(10)LuSc2Fe tetrahedra. In the ninth O site, O(9) is bonded to one Lu(1), one Lu(2), one Sc(2), and one Fe(2) atom to form OLu2ScFe tetrahedra that share  a cornercorner with one O(6)LuSc2Fe tetrahedra, corners with three equivalent O(5)Lu2ScFe tetrahedra, corners with six equivalent O(9)Lu2ScFe tetrahedra,  a cornercorner with one O(1)LuFe3 trigonal pyramid,  a cornercorner with one O(2)LuFe3 trigonal pyramid,  a cornercorner with one O(3)LuFe3 trigonal pyramid,  a cornercorner with one O(4)ScFe3 trigonal pyramid, edges with three equivalent O(5)Lu2ScFe tetrahedra, and  an edgeedge with one O(7)ScFe3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Lu(3), one Sc(1), one Sc(3), and one Fe(1) atom to form OLuSc2Fe tetrahedra that share  a cornercorner with one O(5)Lu2ScFe tetrahedra, corners with three equivalent O(6)LuSc2Fe tetrahedra, corners with six equivalent O(10)LuSc2Fe tetrahedra,  a cornercorner with one O(1)LuFe3 trigonal pyramid,  a cornercorner with one O(2)LuFe3 trigonal pyramid,  a cornercorner with one O(3)LuFe3 trigonal pyramid,  a cornercorner with one O(4)ScFe3 trigonal pyramid, edges with three equivalent O(6)LuSc2Fe tetrahedra, and  an edgeedge with one O(8)ScFe3 trigonal pyramid. is represented by the CIF card [CIF]
data_LuSc(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   5.950
_cell_length_c   11.689
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   358.442
_cell_formula_units_Z   3
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
  Lu  Lu0  1  0.333  0.667  0.733  1.0
  Lu  Lu1  1  0.000  0.000  0.733  1.0
  Lu  Lu2  1  0.000  0.000  0.233  1.0
  Sc  Sc3  1  0.333  0.667  0.234  1.0
  Sc  Sc4  1  0.667  0.333  0.773  1.0
  Sc  Sc5  1  0.667  0.333  0.273  1.0
  Fe  Fe6  1  0.665  0.664  0.499  1.0
  Fe  Fe7  1  0.336  0.001  0.499  1.0
  Fe  Fe8  1  0.999  0.335  0.499  1.0
  Fe  Fe9  1  0.665  0.001  0.001  1.0
  Fe  Fe10  1  0.999  0.664  0.001  1.0
  Fe  Fe11  1  0.336  0.335  0.001  1.0
  O  O12  1  0.333  0.667  0.522  1.0
  O  O13  1  0.000  0.000  0.519  1.0
  O  O14  1  0.000  0.000  0.024  1.0
  O  O15  1  0.333  0.667  0.019  1.0
  O  O16  1  0.667  0.632  0.667  1.0
  O  O17  1  0.368  0.035  0.667  1.0
  O  O18  1  0.965  0.333  0.667  1.0
  O  O19  1  0.656  0.024  0.169  1.0
  O  O20  1  0.976  0.633  0.169  1.0
  O  O21  1  0.367  0.344  0.169  1.0
  O  O22  1  0.667  0.333  0.975  1.0
  O  O23  1  0.667  0.333  0.470  1.0
  O  O24  1  0.667  0.982  0.834  1.0
  O  O25  1  0.018  0.685  0.834  1.0
  O  O26  1  0.315  0.333  0.834  1.0
  O  O27  1  0.660  0.685  0.332  1.0
  O  O28  1  0.315  0.974  0.332  1.0
  O  O29  1  0.026  0.340  0.332  1.0
[/CIF]
.