The structure described by Nb2Mn2ZnO9 is Hydrophilite-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 44-57°. 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 44-59°. 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 are 44°. 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 57-59°. Zn(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Mn2Nb2ZnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.255
_cell_length_c   14.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   336.844
_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  0.006  1.0
  Mn  Mn1  1  0.333  0.667  0.506  1.0
  Mn  Mn2  1  0.667  0.333  0.005  1.0
  Mn  Mn3  1  0.667  0.333  0.505  1.0
  Nb  Nb4  1  0.000  0.000  0.649  1.0
  Nb  Nb5  1  0.000  0.000  0.149  1.0
  Nb  Nb6  1  0.000  0.000  0.861  1.0
  Nb  Nb7  1  0.000  0.000  0.361  1.0
  Zn  Zn8  1  0.333  0.667  0.269  1.0
  Zn  Zn9  1  0.333  0.667  0.769  1.0
  O  O10  1  0.654  0.687  0.582  1.0
  O  O11  1  0.012  0.732  0.756  1.0
  O  O12  1  0.648  0.963  0.427  1.0
  O  O13  1  0.315  0.352  0.427  1.0
  O  O14  1  0.034  0.346  0.582  1.0
  O  O15  1  0.719  0.732  0.256  1.0
  O  O16  1  0.037  0.352  0.927  1.0
  O  O17  1  0.313  0.966  0.582  1.0
  O  O18  1  0.313  0.346  0.082  1.0
  O  O19  1  0.037  0.685  0.427  1.0
  O  O20  1  0.648  0.685  0.927  1.0
  O  O21  1  0.654  0.966  0.082  1.0
  O  O22  1  0.719  0.988  0.756  1.0
  O  O23  1  0.268  0.281  0.756  1.0
  O  O24  1  0.268  0.988  0.256  1.0
  O  O25  1  0.034  0.687  0.082  1.0
  O  O26  1  0.012  0.281  0.256  1.0
  O  O27  1  0.315  0.963  0.927  1.0
[/CIF]
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The structure described by Nb2Mn2ZnO9 is Hydrophilite-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 44-57°. 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 44-59°. 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 are 44°. 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 57-59°. Zn(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(2), one Mn(1), and one Mn(2) atom. is represented by the CIF card [CIF]
data_Mn2Nb2ZnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.255
_cell_length_c   14.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   336.844
_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  0.006  1.0
  Mn  Mn1  1  0.333  0.667  0.506  1.0
  Mn  Mn2  1  0.667  0.333  0.005  1.0
  Mn  Mn3  1  0.667  0.333  0.505  1.0
  Nb  Nb4  1  0.000  0.000  0.649  1.0
  Nb  Nb5  1  0.000  0.000  0.149  1.0
  Nb  Nb6  1  0.000  0.000  0.861  1.0
  Nb  Nb7  1  0.000  0.000  0.361  1.0
  Zn  Zn8  1  0.333  0.667  0.269  1.0
  Zn  Zn9  1  0.333  0.667  0.769  1.0
  O  O10  1  0.654  0.687  0.582  1.0
  O  O11  1  0.012  0.732  0.756  1.0
  O  O12  1  0.648  0.963  0.427  1.0
  O  O13  1  0.315  0.352  0.427  1.0
  O  O14  1  0.034  0.346  0.582  1.0
  O  O15  1  0.719  0.732  0.256  1.0
  O  O16  1  0.037  0.352  0.927  1.0
  O  O17  1  0.313  0.966  0.582  1.0
  O  O18  1  0.313  0.346  0.082  1.0
  O  O19  1  0.037  0.685  0.427  1.0
  O  O20  1  0.648  0.685  0.927  1.0
  O  O21  1  0.654  0.966  0.082  1.0
  O  O22  1  0.719  0.988  0.756  1.0
  O  O23  1  0.268  0.281  0.756  1.0
  O  O24  1  0.268  0.988  0.256  1.0
  O  O25  1  0.034  0.687  0.082  1.0
  O  O26  1  0.012  0.281  0.256  1.0
  O  O27  1  0.315  0.963  0.927  1.0
[/CIF]
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