The material described by Mo15N16 crystallizes in the monoclinic Cc space group. There are fifteen inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(3), one N(4), one N(5), one N(6), and one N(8) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second Mo site, Mo(2) is bonded to one N(10), one N(2), one N(4), one N(5), one N(7), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the third Mo site, Mo(3) is bonded to one N(2), one N(3), one N(4), one N(5), one N(6), and one N(7) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the fourth Mo site, Mo(4) is bonded to one N(12), one N(15), one N(5), one N(6), one N(8), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the fifth Mo site, Mo(5) is bonded to one N(1), one N(10), one N(13), one N(15), one N(5), and one N(7) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the sixth Mo site, Mo(6) is bonded to one N(11), one N(13), one N(3), one N(7), one N(8), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the seventh Mo site, Mo(7) is bonded to one N(10), one N(13), one N(14), one N(3), one N(6), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the eighth Mo site, Mo(8) is bonded to one N(1), one N(10), one N(12), one N(14), one N(2), and one N(6) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. In the ninth Mo site, Mo(9) is bonded to one N(1), one N(10), one N(11), one N(16), one N(3), and one N(4) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the tenth Mo site, Mo(10) is bonded to one N(10), one N(11), one N(12), one N(15), one N(16), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the eleventh Mo site, Mo(11) is bonded to one N(1), one N(13), one N(14), one N(15), one N(16), and one N(8) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the twelfth Mo site, Mo(12) is bonded to one N(14), one N(16), one N(2), one N(4), one N(8), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. In the thirteenth Mo site, Mo(13) is bonded to one N(11), one N(12), one N(13), one N(14), one N(15), and one N(16) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the fourteenth Mo site, Mo(14) is bonded to one N(11), one N(14), one N(16), one N(2), one N(3), and one N(4) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the fifteenth Mo site, Mo(15) is bonded to one N(12), one N(13), one N(15), one N(5), one N(6), and one N(7) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1), one Mo(11), one Mo(5), one Mo(8), and one Mo(9) atom to form distorted NMo5 trigonal bipyramids that share  a cornercorner with one N(10)Mo6 pentagonal pyramid, corners with two equivalent N(16)Mo6 pentagonal pyramids, corners with two equivalent N(5)Mo6 pentagonal pyramids,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(2)Mo5 trigonal bipyramid,  a cornercorner with one N(7)Mo5 trigonal bipyramid,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the second N site, N(2) is bonded to one Mo(12), one Mo(14), one Mo(2), one Mo(3), and one Mo(8) atom to form distorted NMo5 trigonal bipyramids that share corners with three equivalent N(14)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(8)Mo5 trigonal bipyramid, corners with two equivalent N(7)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and edges with two equivalent N(4)Mo6 pentagonal pyramids. In the third N site, N(3) is bonded to one Mo(1), one Mo(14), one Mo(3), one Mo(6), one Mo(7), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(6)Mo6 pentagonal pyramids, corners with three equivalent N(11)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(4)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the fourth N site, N(4) is bonded to one Mo(1), one Mo(12), one Mo(14), one Mo(2), one Mo(3), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(16)Mo6 pentagonal pyramid,  a cornercorner with one N(5)Mo6 pentagonal pyramid, corners with two equivalent N(10)Mo6 pentagonal pyramids, corners with two equivalent N(8)Mo5 trigonal bipyramids,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(3)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and edges with two equivalent N(2)Mo5 trigonal bipyramids. In the fifth N site, N(5) is bonded to one Mo(1), one Mo(15), one Mo(2), one Mo(3), one Mo(4), and one Mo(5) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(15)Mo6 pentagonal pyramid,  a cornercorner with one N(4)Mo6 pentagonal pyramid, corners with two equivalent N(9)Mo6 pentagonal pyramids, corners with two equivalent N(1)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid, edges with two equivalent N(6)Mo6 pentagonal pyramids,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(8)Mo5 trigonal bipyramid, and edges with two equivalent N(7)Mo5 trigonal bipyramids. In the sixth N site, N(6) is bonded to one Mo(1), one Mo(15), one Mo(3), one Mo(4), one Mo(7), and one Mo(8) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(3)Mo6 pentagonal pyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(5)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the seventh N site, N(7) is bonded to one Mo(15), one Mo(2), one Mo(3), one Mo(5), and one Mo(6) atom to form distorted NMo5 trigonal bipyramids that share corners with three equivalent N(13)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(8)Mo5 trigonal bipyramid, corners with two equivalent N(2)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and edges with two equivalent N(5)Mo6 pentagonal pyramids. In the eighth N site, N(8) is bonded to one Mo(1), one Mo(11), one Mo(12), one Mo(4), and one Mo(6) atom to form distorted NMo5 trigonal bipyramids that share  a cornercorner with one N(9)Mo6 pentagonal pyramid, corners with two equivalent N(15)Mo6 pentagonal pyramids, corners with two equivalent N(4)Mo6 pentagonal pyramids,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(2)Mo5 trigonal bipyramid,  a cornercorner with one N(7)Mo5 trigonal bipyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and  an edgeedge with one N(1)Mo5 trigonal bipyramid. In the ninth N site, N(9) is bonded to one Mo(10), one Mo(12), one Mo(2), one Mo(4), one Mo(6), and one Mo(7) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(10)Mo6 pentagonal pyramid, corners with two equivalent N(16)Mo6 pentagonal pyramids, corners with two equivalent N(5)Mo6 pentagonal pyramids,  a cornercorner with one N(8)Mo5 trigonal bipyramid,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the tenth N site, N(10) is bonded to one Mo(10), one Mo(2), one Mo(5), one Mo(7), one Mo(8), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(9)Mo6 pentagonal pyramid, corners with two equivalent N(15)Mo6 pentagonal pyramids, corners with two equivalent N(4)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid, and  an edgeedge with one N(7)Mo5 trigonal bipyramid. In the eleventh N site, N(11) is bonded to one Mo(10), one Mo(13), one Mo(14), one Mo(6), and one Mo(9) atom to form distorted NMo5 trigonal bipyramids that share corners with three equivalent N(3)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  a cornercorner with one N(2)Mo5 trigonal bipyramid,  a cornercorner with one N(7)Mo5 trigonal bipyramid,  a cornercorner with one N(8)Mo5 trigonal bipyramid,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and edges with two equivalent N(16)Mo6 pentagonal pyramids. In the twelfth N site, N(12) is bonded in a 5-coordinate geometry to one Mo(10), one Mo(13), one Mo(15), one Mo(4), and one Mo(8) atom. In the thirteenth N site, N(13) is bonded to one Mo(11), one Mo(13), one Mo(15), one Mo(5), one Mo(6), and one Mo(7) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(14)Mo6 pentagonal pyramids, corners with three equivalent N(7)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(15)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the fourteenth N site, N(14) is bonded to one Mo(11), one Mo(12), one Mo(13), one Mo(14), one Mo(7), and one Mo(8) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(13)Mo6 pentagonal pyramids, corners with three equivalent N(2)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(16)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the fifteenth N site, N(15) is bonded to one Mo(10), one Mo(11), one Mo(13), one Mo(15), one Mo(4), and one Mo(5) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(16)Mo6 pentagonal pyramid,  a cornercorner with one N(5)Mo6 pentagonal pyramid, corners with two equivalent N(10)Mo6 pentagonal pyramids, corners with two equivalent N(8)Mo5 trigonal bipyramids,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(13)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid, and  an edgeedge with one N(7)Mo5 trigonal bipyramid. In the sixteenth N site, N(16) is bonded to one Mo(10), one Mo(11), one Mo(12), one Mo(13), one Mo(14), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(15)Mo6 pentagonal pyramid,  a cornercorner with one N(4)Mo6 pentagonal pyramid, corners with two equivalent N(9)Mo6 pentagonal pyramids, corners with two equivalent N(1)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid, edges with two equivalent N(14)Mo6 pentagonal pyramids,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(8)Mo5 trigonal bipyramid, and edges with two equivalent N(11)Mo5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mo15N16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.524
_cell_length_b   7.597
_cell_length_c   7.528
_cell_angle_alpha   64.286
_cell_angle_beta   82.861
_cell_angle_gamma   115.697
_symmetry_Int_Tables_number   1
_cell_volume   322.452
_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  0.512  0.251  0.249  1.0
  Mo  Mo1  1  0.009  0.248  0.751  1.0
  Mo  Mo2  1  0.624  0.002  0.134  1.0
  Mo  Mo3  1  0.122  0.998  0.636  1.0
  Mo  Mo4  1  0.500  0.747  0.761  1.0
  Mo  Mo5  1  0.761  0.749  1.000  1.0
  Mo  Mo6  1  0.260  0.752  0.499  1.0
  Mo  Mo7  1  0.997  0.749  0.263  1.0
  Mo  Mo8  1  0.863  0.500  0.871  1.0
  Mo  Mo9  1  0.136  0.500  0.122  1.0
  Mo  Mo10  1  0.384  0.500  0.397  1.0
  Mo  Mo11  1  0.748  0.251  0.512  1.0
  Mo  Mo12  1  0.252  0.253  0.008  1.0
  Mo  Mo13  1  0.384  0.999  0.873  1.0
  Mo  Mo14  1  0.885  0.001  0.372  1.0
  N  N15  1  0.669  0.500  0.337  1.0
  N  N16  1  0.298  0.247  0.718  1.0
  N  N17  1  0.799  0.253  0.214  1.0
  N  N18  1  0.419  0.002  0.585  1.0
  N  N19  1  0.835  1.000  0.667  1.0
  N  N20  1  0.917  0.998  0.087  1.0
  N  N21  1  0.047  0.747  0.966  1.0
  N  N22  1  0.551  0.753  0.464  1.0
  N  N23  1  0.467  0.750  0.050  1.0
  N  N24  1  0.961  0.749  0.546  1.0
  N  N25  1  0.584  0.500  0.919  1.0
  N  N26  1  0.169  0.500  0.833  1.0
  N  N27  1  0.086  0.500  0.419  1.0
  N  N28  1  0.713  0.251  0.794  1.0
  N  N29  1  0.218  0.250  0.299  1.0
  N  N30  1  0.335  0.000  0.167  1.0
[/CIF]
.
The material described by Mo15N16 crystallizes in the monoclinic Cc space group. There are fifteen inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(3), one N(4), one N(5), one N(6), and one N(8) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second Mo site, Mo(2) is bonded to one N(10), one N(2), one N(4), one N(5), one N(7), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the third Mo site, Mo(3) is bonded to one N(2), one N(3), one N(4), one N(5), one N(6), and one N(7) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the fourth Mo site, Mo(4) is bonded to one N(12), one N(15), one N(5), one N(6), one N(8), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the fifth Mo site, Mo(5) is bonded to one N(1), one N(10), one N(13), one N(15), one N(5), and one N(7) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the sixth Mo site, Mo(6) is bonded to one N(11), one N(13), one N(3), one N(7), one N(8), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 43-46°. In the seventh Mo site, Mo(7) is bonded to one N(10), one N(13), one N(14), one N(3), one N(6), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the eighth Mo site, Mo(8) is bonded to one N(1), one N(10), one N(12), one N(14), one N(2), and one N(6) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. In the ninth Mo site, Mo(9) is bonded to one N(1), one N(10), one N(11), one N(16), one N(3), and one N(4) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the tenth Mo site, Mo(10) is bonded to one N(10), one N(11), one N(12), one N(15), one N(16), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 44-47°. In the eleventh Mo site, Mo(11) is bonded to one N(1), one N(13), one N(14), one N(15), one N(16), and one N(8) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the twelfth Mo site, Mo(12) is bonded to one N(14), one N(16), one N(2), one N(4), one N(8), and one N(9) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 41-50°. In the thirteenth Mo site, Mo(13) is bonded to one N(11), one N(12), one N(13), one N(14), one N(15), and one N(16) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-48°. In the fourteenth Mo site, Mo(14) is bonded to one N(11), one N(14), one N(16), one N(2), one N(3), and one N(4) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the fifteenth Mo site, Mo(15) is bonded to one N(12), one N(13), one N(15), one N(5), one N(6), and one N(7) atom to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are sixteen inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1), one Mo(11), one Mo(5), one Mo(8), and one Mo(9) atom to form distorted NMo5 trigonal bipyramids that share  a cornercorner with one N(10)Mo6 pentagonal pyramid, corners with two equivalent N(16)Mo6 pentagonal pyramids, corners with two equivalent N(5)Mo6 pentagonal pyramids,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(2)Mo5 trigonal bipyramid,  a cornercorner with one N(7)Mo5 trigonal bipyramid,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the second N site, N(2) is bonded to one Mo(12), one Mo(14), one Mo(2), one Mo(3), and one Mo(8) atom to form distorted NMo5 trigonal bipyramids that share corners with three equivalent N(14)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(8)Mo5 trigonal bipyramid, corners with two equivalent N(7)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and edges with two equivalent N(4)Mo6 pentagonal pyramids. In the third N site, N(3) is bonded to one Mo(1), one Mo(14), one Mo(3), one Mo(6), one Mo(7), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(6)Mo6 pentagonal pyramids, corners with three equivalent N(11)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(4)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the fourth N site, N(4) is bonded to one Mo(1), one Mo(12), one Mo(14), one Mo(2), one Mo(3), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(16)Mo6 pentagonal pyramid,  a cornercorner with one N(5)Mo6 pentagonal pyramid, corners with two equivalent N(10)Mo6 pentagonal pyramids, corners with two equivalent N(8)Mo5 trigonal bipyramids,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(3)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and edges with two equivalent N(2)Mo5 trigonal bipyramids. In the fifth N site, N(5) is bonded to one Mo(1), one Mo(15), one Mo(2), one Mo(3), one Mo(4), and one Mo(5) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(15)Mo6 pentagonal pyramid,  a cornercorner with one N(4)Mo6 pentagonal pyramid, corners with two equivalent N(9)Mo6 pentagonal pyramids, corners with two equivalent N(1)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid, edges with two equivalent N(6)Mo6 pentagonal pyramids,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(8)Mo5 trigonal bipyramid, and edges with two equivalent N(7)Mo5 trigonal bipyramids. In the sixth N site, N(6) is bonded to one Mo(1), one Mo(15), one Mo(3), one Mo(4), one Mo(7), and one Mo(8) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(3)Mo6 pentagonal pyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(5)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the seventh N site, N(7) is bonded to one Mo(15), one Mo(2), one Mo(3), one Mo(5), and one Mo(6) atom to form distorted NMo5 trigonal bipyramids that share corners with three equivalent N(13)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(8)Mo5 trigonal bipyramid, corners with two equivalent N(2)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and edges with two equivalent N(5)Mo6 pentagonal pyramids. In the eighth N site, N(8) is bonded to one Mo(1), one Mo(11), one Mo(12), one Mo(4), and one Mo(6) atom to form distorted NMo5 trigonal bipyramids that share  a cornercorner with one N(9)Mo6 pentagonal pyramid, corners with two equivalent N(15)Mo6 pentagonal pyramids, corners with two equivalent N(4)Mo6 pentagonal pyramids,  a cornercorner with one N(11)Mo5 trigonal bipyramid,  a cornercorner with one N(2)Mo5 trigonal bipyramid,  a cornercorner with one N(7)Mo5 trigonal bipyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and  an edgeedge with one N(1)Mo5 trigonal bipyramid. In the ninth N site, N(9) is bonded to one Mo(10), one Mo(12), one Mo(2), one Mo(4), one Mo(6), and one Mo(7) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(10)Mo6 pentagonal pyramid, corners with two equivalent N(16)Mo6 pentagonal pyramids, corners with two equivalent N(5)Mo6 pentagonal pyramids,  a cornercorner with one N(8)Mo5 trigonal bipyramid,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(7)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the tenth N site, N(10) is bonded to one Mo(10), one Mo(2), one Mo(5), one Mo(7), one Mo(8), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(9)Mo6 pentagonal pyramid, corners with two equivalent N(15)Mo6 pentagonal pyramids, corners with two equivalent N(4)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid,  an edgeedge with one N(2)Mo5 trigonal bipyramid, and  an edgeedge with one N(7)Mo5 trigonal bipyramid. In the eleventh N site, N(11) is bonded to one Mo(10), one Mo(13), one Mo(14), one Mo(6), and one Mo(9) atom to form distorted NMo5 trigonal bipyramids that share corners with three equivalent N(3)Mo6 pentagonal pyramids,  a cornercorner with one N(1)Mo5 trigonal bipyramid,  a cornercorner with one N(2)Mo5 trigonal bipyramid,  a cornercorner with one N(7)Mo5 trigonal bipyramid,  a cornercorner with one N(8)Mo5 trigonal bipyramid,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, and edges with two equivalent N(16)Mo6 pentagonal pyramids. In the twelfth N site, N(12) is bonded in a 5-coordinate geometry to one Mo(10), one Mo(13), one Mo(15), one Mo(4), and one Mo(8) atom. In the thirteenth N site, N(13) is bonded to one Mo(11), one Mo(13), one Mo(15), one Mo(5), one Mo(6), and one Mo(7) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(14)Mo6 pentagonal pyramids, corners with three equivalent N(7)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(15)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the fourteenth N site, N(14) is bonded to one Mo(11), one Mo(12), one Mo(13), one Mo(14), one Mo(7), and one Mo(8) atom to form distorted NMo6 pentagonal pyramids that share corners with three equivalent N(13)Mo6 pentagonal pyramids, corners with three equivalent N(2)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(16)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid, and  an edgeedge with one N(8)Mo5 trigonal bipyramid. In the fifteenth N site, N(15) is bonded to one Mo(10), one Mo(11), one Mo(13), one Mo(15), one Mo(4), and one Mo(5) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(16)Mo6 pentagonal pyramid,  a cornercorner with one N(5)Mo6 pentagonal pyramid, corners with two equivalent N(10)Mo6 pentagonal pyramids, corners with two equivalent N(8)Mo5 trigonal bipyramids,  an edgeedge with one N(14)Mo6 pentagonal pyramid,  an edgeedge with one N(16)Mo6 pentagonal pyramid,  an edgeedge with one N(5)Mo6 pentagonal pyramid,  an edgeedge with one N(6)Mo6 pentagonal pyramid,  an edgeedge with one N(9)Mo6 pentagonal pyramid, edges with two equivalent N(13)Mo6 pentagonal pyramids,  an edgeedge with one N(1)Mo5 trigonal bipyramid,  an edgeedge with one N(11)Mo5 trigonal bipyramid, and  an edgeedge with one N(7)Mo5 trigonal bipyramid. In the sixteenth N site, N(16) is bonded to one Mo(10), one Mo(11), one Mo(12), one Mo(13), one Mo(14), and one Mo(9) atom to form distorted NMo6 pentagonal pyramids that share  a cornercorner with one N(15)Mo6 pentagonal pyramid,  a cornercorner with one N(4)Mo6 pentagonal pyramid, corners with two equivalent N(9)Mo6 pentagonal pyramids, corners with two equivalent N(1)Mo5 trigonal bipyramids,  an edgeedge with one N(10)Mo6 pentagonal pyramid,  an edgeedge with one N(13)Mo6 pentagonal pyramid,  an edgeedge with one N(15)Mo6 pentagonal pyramid,  an edgeedge with one N(3)Mo6 pentagonal pyramid,  an edgeedge with one N(4)Mo6 pentagonal pyramid, edges with two equivalent N(14)Mo6 pentagonal pyramids,  an edgeedge with one N(2)Mo5 trigonal bipyramid,  an edgeedge with one N(8)Mo5 trigonal bipyramid, and edges with two equivalent N(11)Mo5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mo15N16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.524
_cell_length_b   7.597
_cell_length_c   7.528
_cell_angle_alpha   64.286
_cell_angle_beta   82.861
_cell_angle_gamma   115.697
_symmetry_Int_Tables_number   1
_cell_volume   322.452
_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  0.512  0.251  0.249  1.0
  Mo  Mo1  1  0.009  0.248  0.751  1.0
  Mo  Mo2  1  0.624  0.002  0.134  1.0
  Mo  Mo3  1  0.122  0.998  0.636  1.0
  Mo  Mo4  1  0.500  0.747  0.761  1.0
  Mo  Mo5  1  0.761  0.749  1.000  1.0
  Mo  Mo6  1  0.260  0.752  0.499  1.0
  Mo  Mo7  1  0.997  0.749  0.263  1.0
  Mo  Mo8  1  0.863  0.500  0.871  1.0
  Mo  Mo9  1  0.136  0.500  0.122  1.0
  Mo  Mo10  1  0.384  0.500  0.397  1.0
  Mo  Mo11  1  0.748  0.251  0.512  1.0
  Mo  Mo12  1  0.252  0.253  0.008  1.0
  Mo  Mo13  1  0.384  0.999  0.873  1.0
  Mo  Mo14  1  0.885  0.001  0.372  1.0
  N  N15  1  0.669  0.500  0.337  1.0
  N  N16  1  0.298  0.247  0.718  1.0
  N  N17  1  0.799  0.253  0.214  1.0
  N  N18  1  0.419  0.002  0.585  1.0
  N  N19  1  0.835  1.000  0.667  1.0
  N  N20  1  0.917  0.998  0.087  1.0
  N  N21  1  0.047  0.747  0.966  1.0
  N  N22  1  0.551  0.753  0.464  1.0
  N  N23  1  0.467  0.750  0.050  1.0
  N  N24  1  0.961  0.749  0.546  1.0
  N  N25  1  0.584  0.500  0.919  1.0
  N  N26  1  0.169  0.500  0.833  1.0
  N  N27  1  0.086  0.500  0.419  1.0
  N  N28  1  0.713  0.251  0.794  1.0
  N  N29  1  0.218  0.250  0.299  1.0
  N  N30  1  0.335  0.000  0.167  1.0
[/CIF]
.