The structure described by LuFeZn4O7 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to six equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Lu(1)O6 octahedra. Fe(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent Zn(2)O4 tetrahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and corners with six equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. In the second Zn site, Zn(2) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with six equivalent Zn(2)O4 tetrahedra, and corners with three equivalent Fe(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with three equivalent O(3)Lu3Zn tetrahedra, corners with three equivalent O(2)Zn3Fe tetrahedra, and corners with six equivalent O(1)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Zn(2) atoms to form OZn3Fe tetrahedra that share corners with three equivalent O(1)Zn4 tetrahedra and corners with seven equivalent O(2)Zn3Fe tetrahedra. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Zn(1) atom to form distorted OLu3Zn tetrahedra that share corners with three equivalent O(1)Zn4 tetrahedra, corners with nine equivalent O(3)Lu3Zn tetrahedra, and edges with three equivalent O(3)Lu3Zn tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_LuZn4FeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.362
_cell_length_b   3.362
_cell_length_c   33.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   324.954
_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
  Lu  Lu0  1  0.000  0.000  0.500  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.333  0.667  0.408  1.0
  Zn  Zn3  1  0.667  0.333  0.592  1.0
  Zn  Zn4  1  0.667  0.333  0.908  1.0
  Zn  Zn5  1  0.333  0.667  0.092  1.0
  Zn  Zn6  1  0.000  0.000  0.330  1.0
  Zn  Zn7  1  0.000  0.000  0.670  1.0
  Zn  Zn8  1  0.000  0.000  0.830  1.0
  Zn  Zn9  1  0.000  0.000  0.170  1.0
  Fe  Fe10  1  0.333  0.667  0.250  1.0
  Fe  Fe11  1  0.667  0.333  0.750  1.0
  O  O12  1  0.000  0.000  0.390  1.0
  O  O13  1  0.000  0.000  0.610  1.0
  O  O14  1  0.000  0.000  0.890  1.0
  O  O15  1  0.000  0.000  0.110  1.0
  O  O16  1  0.333  0.667  0.311  1.0
  O  O17  1  0.667  0.333  0.689  1.0
  O  O18  1  0.667  0.333  0.811  1.0
  O  O19  1  0.333  0.667  0.189  1.0
  O  O20  1  0.333  0.667  0.468  1.0
  O  O21  1  0.667  0.333  0.532  1.0
  O  O22  1  0.667  0.333  0.968  1.0
  O  O23  1  0.333  0.667  0.032  1.0
  O  O24  1  0.000  0.000  0.250  1.0
  O  O25  1  0.000  0.000  0.750  1.0
[/CIF]
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The structure described by LuFeZn4O7 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to six equivalent O(3) atoms to form LuO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Lu(1)O6 octahedra. Fe(1) is bonded to two equivalent O(2) and three equivalent O(4) atoms to form FeO5 trigonal bipyramids that share corners with six equivalent Zn(2)O4 tetrahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra, corners with three equivalent Zn(2)O4 tetrahedra, and corners with six equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. In the second Zn site, Zn(2) is bonded to one O(1) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with six equivalent Zn(2)O4 tetrahedra, and corners with three equivalent Fe(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form OZn4 tetrahedra that share corners with three equivalent O(3)Lu3Zn tetrahedra, corners with three equivalent O(2)Zn3Fe tetrahedra, and corners with six equivalent O(1)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Fe(1) and three equivalent Zn(2) atoms to form OZn3Fe tetrahedra that share corners with three equivalent O(1)Zn4 tetrahedra and corners with seven equivalent O(2)Zn3Fe tetrahedra. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Zn(1) atom to form distorted OLu3Zn tetrahedra that share corners with three equivalent O(1)Zn4 tetrahedra, corners with nine equivalent O(3)Lu3Zn tetrahedra, and edges with three equivalent O(3)Lu3Zn tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to three equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_LuZn4FeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.362
_cell_length_b   3.362
_cell_length_c   33.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   324.954
_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
  Lu  Lu0  1  0.000  0.000  0.500  1.0
  Lu  Lu1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.333  0.667  0.408  1.0
  Zn  Zn3  1  0.667  0.333  0.592  1.0
  Zn  Zn4  1  0.667  0.333  0.908  1.0
  Zn  Zn5  1  0.333  0.667  0.092  1.0
  Zn  Zn6  1  0.000  0.000  0.330  1.0
  Zn  Zn7  1  0.000  0.000  0.670  1.0
  Zn  Zn8  1  0.000  0.000  0.830  1.0
  Zn  Zn9  1  0.000  0.000  0.170  1.0
  Fe  Fe10  1  0.333  0.667  0.250  1.0
  Fe  Fe11  1  0.667  0.333  0.750  1.0
  O  O12  1  0.000  0.000  0.390  1.0
  O  O13  1  0.000  0.000  0.610  1.0
  O  O14  1  0.000  0.000  0.890  1.0
  O  O15  1  0.000  0.000  0.110  1.0
  O  O16  1  0.333  0.667  0.311  1.0
  O  O17  1  0.667  0.333  0.689  1.0
  O  O18  1  0.667  0.333  0.811  1.0
  O  O19  1  0.333  0.667  0.189  1.0
  O  O20  1  0.333  0.667  0.468  1.0
  O  O21  1  0.667  0.333  0.532  1.0
  O  O22  1  0.667  0.333  0.968  1.0
  O  O23  1  0.333  0.667  0.032  1.0
  O  O24  1  0.000  0.000  0.250  1.0
  O  O25  1  0.000  0.000  0.750  1.0
[/CIF]
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