The material described by MnC4NO5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four MnC4NO5 clusters. Mn(1) is bonded in a trigonal bipyramidal geometry to two equivalent C(1), two equivalent C(2), and one N(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Mn(1) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one Mn(1) and one O(2) atom. N(1) is bonded in a linear geometry to one Mn(1) and one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnC4NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.764
_cell_length_b   6.764
_cell_length_c   9.555
_cell_angle_alpha   74.428
_cell_angle_beta   74.428
_cell_angle_gamma   59.627
_symmetry_Int_Tables_number   1
_cell_volume   358.660
_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  0.150  0.850  0.750  1.0
  Mn  Mn1  1  0.850  0.150  0.250  1.0
  C  C2  1  0.030  0.705  0.682  1.0
  C  C3  1  0.783  0.381  0.090  1.0
  C  C4  1  0.619  0.217  0.410  1.0
  C  C5  1  0.217  0.619  0.910  1.0
  C  C6  1  0.295  0.970  0.818  1.0
  C  C7  1  0.705  0.030  0.182  1.0
  C  C8  1  0.970  0.295  0.318  1.0
  C  C9  1  0.381  0.783  0.590  1.0
  N  N10  1  0.102  0.898  0.250  1.0
  N  N11  1  0.898  0.102  0.750  1.0
  O  O12  1  0.277  0.723  0.250  1.0
  O  O13  1  0.520  0.750  0.484  1.0
  O  O14  1  0.626  0.947  0.138  1.0
  O  O15  1  0.374  0.053  0.862  1.0
  O  O16  1  0.250  0.480  0.016  1.0
  O  O17  1  0.947  0.626  0.638  1.0
  O  O18  1  0.053  0.374  0.362  1.0
  O  O19  1  0.750  0.520  0.984  1.0
  O  O20  1  0.723  0.277  0.750  1.0
  O  O21  1  0.480  0.250  0.516  1.0
[/CIF]
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The material described by MnC4NO5 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four MnC4NO5 clusters. Mn(1) is bonded in a trigonal bipyramidal geometry to two equivalent C(1), two equivalent C(2), and one N(1) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Mn(1) and one O(3) atom. In the second C site, C(2) is bonded in a linear geometry to one Mn(1) and one O(2) atom. N(1) is bonded in a linear geometry to one Mn(1) and one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnC4NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.764
_cell_length_b   6.764
_cell_length_c   9.555
_cell_angle_alpha   74.428
_cell_angle_beta   74.428
_cell_angle_gamma   59.627
_symmetry_Int_Tables_number   1
_cell_volume   358.660
_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  0.150  0.850  0.750  1.0
  Mn  Mn1  1  0.850  0.150  0.250  1.0
  C  C2  1  0.030  0.705  0.682  1.0
  C  C3  1  0.783  0.381  0.090  1.0
  C  C4  1  0.619  0.217  0.410  1.0
  C  C5  1  0.217  0.619  0.910  1.0
  C  C6  1  0.295  0.970  0.818  1.0
  C  C7  1  0.705  0.030  0.182  1.0
  C  C8  1  0.970  0.295  0.318  1.0
  C  C9  1  0.381  0.783  0.590  1.0
  N  N10  1  0.102  0.898  0.250  1.0
  N  N11  1  0.898  0.102  0.750  1.0
  O  O12  1  0.277  0.723  0.250  1.0
  O  O13  1  0.520  0.750  0.484  1.0
  O  O14  1  0.626  0.947  0.138  1.0
  O  O15  1  0.374  0.053  0.862  1.0
  O  O16  1  0.250  0.480  0.016  1.0
  O  O17  1  0.947  0.626  0.638  1.0
  O  O18  1  0.053  0.374  0.362  1.0
  O  O19  1  0.750  0.520  0.984  1.0
  O  O20  1  0.723  0.277  0.750  1.0
  O  O21  1  0.480  0.250  0.516  1.0
[/CIF]
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