The material structure described by (MoO3)12N2 crystallizes in the trigonal P3 space group. The structure consists of one ammonia atom inside a MoO3 framework. In the MoO3 framework, Mo(1,2) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1,2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Mo(1,2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1,2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1,2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(1,2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(1,2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo6NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.911
_cell_length_b   10.911
_cell_length_c   3.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   390.651
_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
  Mo  Mo0  1  0.105  0.459  0.250  1.0
  Mo  Mo1  1  0.354  0.895  0.250  1.0
  Mo  Mo2  1  0.541  0.646  0.250  1.0
  Mo  Mo3  1  0.895  0.541  0.750  1.0
  Mo  Mo4  1  0.646  0.105  0.750  1.0
  Mo  Mo5  1  0.459  0.354  0.750  1.0
  N  N6  1  0.000  0.000  0.395  1.0
  O  O7  1  0.218  0.719  0.250  1.0
  O  O8  1  0.502  0.782  0.250  1.0
  O  O9  1  0.281  0.498  0.250  1.0
  O  O10  1  0.782  0.281  0.750  1.0
  O  O11  1  0.498  0.218  0.750  1.0
  O  O12  1  0.719  0.502  0.750  1.0
  O  O13  1  0.922  0.502  0.250  1.0
  O  O14  1  0.579  0.078  0.250  1.0
  O  O15  1  0.498  0.421  0.250  1.0
  O  O16  1  0.078  0.498  0.750  1.0
  O  O17  1  0.421  0.922  0.750  1.0
  O  O18  1  0.502  0.579  0.750  1.0
  O  O19  1  0.012  0.279  0.250  1.0
  O  O20  1  0.268  0.988  0.250  1.0
  O  O21  1  0.721  0.732  0.250  1.0
  O  O22  1  0.988  0.721  0.750  1.0
  O  O23  1  0.733  0.012  0.750  1.0
  O  O24  1  0.279  0.267  0.750  1.0
[/CIF]
.
The material structure described by (MoO3)12N2 crystallizes in the trigonal P3 space group. The structure consists of one ammonia atom inside a MoO3 framework. In the MoO3 framework, Mo(1,2) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Mo(1,2) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Mo(1,2) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1,2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo(1,2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mo(1,2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Mo(1,2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo6NO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.911
_cell_length_b   10.911
_cell_length_c   3.789
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   390.651
_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
  Mo  Mo0  1  0.105  0.459  0.250  1.0
  Mo  Mo1  1  0.354  0.895  0.250  1.0
  Mo  Mo2  1  0.541  0.646  0.250  1.0
  Mo  Mo3  1  0.895  0.541  0.750  1.0
  Mo  Mo4  1  0.646  0.105  0.750  1.0
  Mo  Mo5  1  0.459  0.354  0.750  1.0
  N  N6  1  0.000  0.000  0.395  1.0
  O  O7  1  0.218  0.719  0.250  1.0
  O  O8  1  0.502  0.782  0.250  1.0
  O  O9  1  0.281  0.498  0.250  1.0
  O  O10  1  0.782  0.281  0.750  1.0
  O  O11  1  0.498  0.218  0.750  1.0
  O  O12  1  0.719  0.502  0.750  1.0
  O  O13  1  0.922  0.502  0.250  1.0
  O  O14  1  0.579  0.078  0.250  1.0
  O  O15  1  0.498  0.421  0.250  1.0
  O  O16  1  0.078  0.498  0.750  1.0
  O  O17  1  0.421  0.922  0.750  1.0
  O  O18  1  0.502  0.579  0.750  1.0
  O  O19  1  0.012  0.279  0.250  1.0
  O  O20  1  0.268  0.988  0.250  1.0
  O  O21  1  0.721  0.732  0.250  1.0
  O  O22  1  0.988  0.721  0.750  1.0
  O  O23  1  0.733  0.012  0.750  1.0
  O  O24  1  0.279  0.267  0.750  1.0
[/CIF]
.