The material described by Nb2Cr3Mn3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Cr(2), 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) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Cr(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(2) and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Cr(2), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(2), one Cr(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Nb2Cr3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.859
_cell_length_b   5.859
_cell_length_c   9.311
_cell_angle_alpha   89.602
_cell_angle_beta   89.602
_cell_angle_gamma   59.869
_symmetry_Int_Tables_number   1
_cell_volume   276.405
_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
  Mn  Mn0  1  0.830  0.830  0.213  1.0
  Mn  Mn1  1  0.168  0.662  0.715  1.0
  Mn  Mn2  1  0.662  0.168  0.715  1.0
  Nb  Nb3  1  0.666  0.666  0.498  1.0
  Nb  Nb4  1  0.331  0.331  0.999  1.0
  Cr  Cr5  1  0.340  0.828  0.217  1.0
  Cr  Cr6  1  0.828  0.340  0.217  1.0
  Cr  Cr7  1  0.168  0.168  0.715  1.0
  O  O8  1  0.331  0.833  0.600  1.0
  O  O9  1  0.521  0.521  0.338  1.0
  O  O10  1  0.669  0.669  0.108  1.0
  O  O11  1  1.000  1.000  0.302  1.0
  O  O12  1  0.996  0.996  0.810  1.0
  O  O13  1  0.833  0.331  0.600  1.0
  O  O14  1  0.525  0.959  0.332  1.0
  O  O15  1  0.959  0.525  0.332  1.0
  O  O16  1  0.166  0.166  0.099  1.0
  O  O17  1  0.834  0.834  0.601  1.0
  O  O18  1  0.042  0.485  0.833  1.0
  O  O19  1  0.485  0.042  0.833  1.0
  O  O20  1  0.337  0.337  0.609  1.0
  O  O21  1  0.166  0.665  0.101  1.0
  O  O22  1  0.481  0.481  0.830  1.0
  O  O23  1  0.665  0.166  0.101  1.0
[/CIF]
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The material described by Nb2Cr3Mn3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted NbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NbO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Cr(2), 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) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Cr(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Cr(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Cr(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(2) and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Cr(2), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(2), one Cr(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2) and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Nb2Cr3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.859
_cell_length_b   5.859
_cell_length_c   9.311
_cell_angle_alpha   89.602
_cell_angle_beta   89.602
_cell_angle_gamma   59.869
_symmetry_Int_Tables_number   1
_cell_volume   276.405
_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
  Mn  Mn0  1  0.830  0.830  0.213  1.0
  Mn  Mn1  1  0.168  0.662  0.715  1.0
  Mn  Mn2  1  0.662  0.168  0.715  1.0
  Nb  Nb3  1  0.666  0.666  0.498  1.0
  Nb  Nb4  1  0.331  0.331  0.999  1.0
  Cr  Cr5  1  0.340  0.828  0.217  1.0
  Cr  Cr6  1  0.828  0.340  0.217  1.0
  Cr  Cr7  1  0.168  0.168  0.715  1.0
  O  O8  1  0.331  0.833  0.600  1.0
  O  O9  1  0.521  0.521  0.338  1.0
  O  O10  1  0.669  0.669  0.108  1.0
  O  O11  1  1.000  1.000  0.302  1.0
  O  O12  1  0.996  0.996  0.810  1.0
  O  O13  1  0.833  0.331  0.600  1.0
  O  O14  1  0.525  0.959  0.332  1.0
  O  O15  1  0.959  0.525  0.332  1.0
  O  O16  1  0.166  0.166  0.099  1.0
  O  O17  1  0.834  0.834  0.601  1.0
  O  O18  1  0.042  0.485  0.833  1.0
  O  O19  1  0.485  0.042  0.833  1.0
  O  O20  1  0.337  0.337  0.609  1.0
  O  O21  1  0.166  0.665  0.101  1.0
  O  O22  1  0.481  0.481  0.830  1.0
  O  O23  1  0.665  0.166  0.101  1.0
[/CIF]
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