The compound described by Nb2Mn2Zn2O9 is Ilmenite-derived structured and crystallizes in the trigonal P3c1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Nb site, Nb(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Mn(1), one Mn(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Nb(1), one Nb(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing ONb2Zn2 trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(2), one Mn(1), one Mn(2), and one Zn(2) atom. is represented by the CIF file [CIF]
data_Mn2Nb2Zn2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.323
_cell_length_c   14.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   357.948
_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
  Mn  Mn0  1  0.333  0.667  0.018  1.0
  Mn  Mn1  1  0.333  0.667  0.518  1.0
  Mn  Mn2  1  0.667  0.333  0.989  1.0
  Mn  Mn3  1  0.667  0.333  0.489  1.0
  Nb  Nb4  1  0.000  0.000  0.644  1.0
  Nb  Nb5  1  0.000  0.000  0.144  1.0
  Nb  Nb6  1  0.000  0.000  0.862  1.0
  Nb  Nb7  1  0.000  0.000  0.362  1.0
  Zn  Zn8  1  0.667  0.333  0.711  1.0
  Zn  Zn9  1  0.333  0.667  0.297  1.0
  Zn  Zn10  1  0.333  0.667  0.797  1.0
  Zn  Zn11  1  0.667  0.333  0.211  1.0
  O  O12  1  0.689  0.663  0.588  1.0
  O  O13  1  0.000  0.714  0.753  1.0
  O  O14  1  0.663  0.974  0.417  1.0
  O  O15  1  0.312  0.337  0.417  1.0
  O  O16  1  0.974  0.311  0.588  1.0
  O  O17  1  0.713  0.714  0.253  1.0
  O  O18  1  0.026  0.337  0.917  1.0
  O  O19  1  0.337  0.026  0.588  1.0
  O  O20  1  0.337  0.311  0.088  1.0
  O  O21  1  0.026  0.688  0.417  1.0
  O  O22  1  0.663  0.688  0.917  1.0
  O  O23  1  0.689  0.026  0.088  1.0
  O  O24  1  0.713  1.000  0.753  1.0
  O  O25  1  0.286  0.287  0.753  1.0
  O  O26  1  0.286  1.000  0.253  1.0
  O  O27  1  0.974  0.663  0.088  1.0
  O  O28  1  0.000  0.287  0.253  1.0
  O  O29  1  0.312  0.974  0.917  1.0
[/CIF]
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The compound described by Nb2Mn2Zn2O9 is Ilmenite-derived structured and crystallizes in the trigonal P3c1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Nb site, Nb(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Mn(1), one Mn(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Nb(1), one Nb(2), one Zn(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing ONb2Zn2 trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(2), one Mn(1), one Mn(2), and one Zn(2) atom. is represented by the CIF file [CIF]
data_Mn2Nb2Zn2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.323
_cell_length_c   14.586
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   357.948
_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
  Mn  Mn0  1  0.333  0.667  0.018  1.0
  Mn  Mn1  1  0.333  0.667  0.518  1.0
  Mn  Mn2  1  0.667  0.333  0.989  1.0
  Mn  Mn3  1  0.667  0.333  0.489  1.0
  Nb  Nb4  1  0.000  0.000  0.644  1.0
  Nb  Nb5  1  0.000  0.000  0.144  1.0
  Nb  Nb6  1  0.000  0.000  0.862  1.0
  Nb  Nb7  1  0.000  0.000  0.362  1.0
  Zn  Zn8  1  0.667  0.333  0.711  1.0
  Zn  Zn9  1  0.333  0.667  0.297  1.0
  Zn  Zn10  1  0.333  0.667  0.797  1.0
  Zn  Zn11  1  0.667  0.333  0.211  1.0
  O  O12  1  0.689  0.663  0.588  1.0
  O  O13  1  0.000  0.714  0.753  1.0
  O  O14  1  0.663  0.974  0.417  1.0
  O  O15  1  0.312  0.337  0.417  1.0
  O  O16  1  0.974  0.311  0.588  1.0
  O  O17  1  0.713  0.714  0.253  1.0
  O  O18  1  0.026  0.337  0.917  1.0
  O  O19  1  0.337  0.026  0.588  1.0
  O  O20  1  0.337  0.311  0.088  1.0
  O  O21  1  0.026  0.688  0.417  1.0
  O  O22  1  0.663  0.688  0.917  1.0
  O  O23  1  0.689  0.026  0.088  1.0
  O  O24  1  0.713  1.000  0.753  1.0
  O  O25  1  0.286  0.287  0.753  1.0
  O  O26  1  0.286  1.000  0.253  1.0
  O  O27  1  0.974  0.663  0.088  1.0
  O  O28  1  0.000  0.287  0.253  1.0
  O  O29  1  0.312  0.974  0.917  1.0
[/CIF]
.