The compound described by (MnO2)16N2 is Rutile-derived structured and crystallizes in the triclinic P-1 space group. The structure consists of one ammonia atom inside a MnO2 framework. In the MnO2 framework, there are three inequivalent Mn sites. In the first Mn site, Mn(1,4) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1,4); one Mn(2); and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1,4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1,4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1,4); one Mn(2); and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1,4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1,4) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1,4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1,4) and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn8NO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   7.184
_cell_length_c   7.184
_cell_angle_alpha   87.606
_cell_angle_beta   78.222
_cell_angle_gamma   78.221
_symmetry_Int_Tables_number   1
_cell_volume   290.042
_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  0.924  0.485  0.818  1.0
  Mn  Mn1  1  0.424  0.485  0.818  1.0
  Mn  Mn2  1  0.576  0.515  0.182  1.0
  Mn  Mn3  1  0.076  0.515  0.182  1.0
  Mn  Mn4  1  0.333  0.182  0.485  1.0
  Mn  Mn5  1  0.833  0.182  0.485  1.0
  Mn  Mn6  1  0.167  0.818  0.515  1.0
  Mn  Mn7  1  0.667  0.818  0.515  1.0
  N  N8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.521  0.292  0.622  1.0
  O  O10  1  0.021  0.292  0.623  1.0
  O  O11  1  0.979  0.708  0.377  1.0
  O  O12  1  0.479  0.708  0.378  1.0
  O  O13  1  0.832  0.377  0.292  1.0
  O  O14  1  0.333  0.378  0.292  1.0
  O  O15  1  0.667  0.622  0.708  1.0
  O  O16  1  0.168  0.623  0.708  1.0
  O  O17  1  0.829  0.639  0.048  1.0
  O  O18  1  0.328  0.639  0.048  1.0
  O  O19  1  0.672  0.361  0.952  1.0
  O  O20  1  0.171  0.361  0.952  1.0
  O  O21  1  0.853  0.952  0.639  1.0
  O  O22  1  0.352  0.952  0.639  1.0
  O  O23  1  0.648  0.048  0.361  1.0
  O  O24  1  0.147  0.048  0.361  1.0
[/CIF]
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The compound described by (MnO2)16N2 is Rutile-derived structured and crystallizes in the triclinic P-1 space group. The structure consists of one ammonia atom inside a MnO2 framework. In the MnO2 framework, there are three inequivalent Mn sites. In the first Mn site, Mn(1,4) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1,4); one Mn(2); and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(1,4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1,4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1,4); one Mn(2); and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1,4) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1,4) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3) and two equivalent Mn(1,4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1,4) and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn8NO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.864
_cell_length_b   7.184
_cell_length_c   7.184
_cell_angle_alpha   87.606
_cell_angle_beta   78.222
_cell_angle_gamma   78.221
_symmetry_Int_Tables_number   1
_cell_volume   290.042
_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  0.924  0.485  0.818  1.0
  Mn  Mn1  1  0.424  0.485  0.818  1.0
  Mn  Mn2  1  0.576  0.515  0.182  1.0
  Mn  Mn3  1  0.076  0.515  0.182  1.0
  Mn  Mn4  1  0.333  0.182  0.485  1.0
  Mn  Mn5  1  0.833  0.182  0.485  1.0
  Mn  Mn6  1  0.167  0.818  0.515  1.0
  Mn  Mn7  1  0.667  0.818  0.515  1.0
  N  N8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.521  0.292  0.622  1.0
  O  O10  1  0.021  0.292  0.623  1.0
  O  O11  1  0.979  0.708  0.377  1.0
  O  O12  1  0.479  0.708  0.378  1.0
  O  O13  1  0.832  0.377  0.292  1.0
  O  O14  1  0.333  0.378  0.292  1.0
  O  O15  1  0.667  0.622  0.708  1.0
  O  O16  1  0.168  0.623  0.708  1.0
  O  O17  1  0.829  0.639  0.048  1.0
  O  O18  1  0.328  0.639  0.048  1.0
  O  O19  1  0.672  0.361  0.952  1.0
  O  O20  1  0.171  0.361  0.952  1.0
  O  O21  1  0.853  0.952  0.639  1.0
  O  O22  1  0.352  0.952  0.639  1.0
  O  O23  1  0.648  0.048  0.361  1.0
  O  O24  1  0.147  0.048  0.361  1.0
[/CIF]
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