K3SiN(OF2)3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to three equivalent O(1) and nine equivalent F(1) atoms to form KO3F9 cuboctahedra that share corners with three equivalent K(2)O6F6 cuboctahedra, corners with six equivalent K(1)O3F9 cuboctahedra, faces with three equivalent K(2)O6F6 cuboctahedra, faces with four equivalent K(1)O3F9 cuboctahedra, and faces with three equivalent Si(1)F6 octahedra. In the second K site, K(2) is bonded to six equivalent O(1) and six equivalent F(1) atoms to form distorted KO6F6 cuboctahedra that share corners with six equivalent K(1)O3F9 cuboctahedra, corners with six equivalent K(2)O6F6 cuboctahedra, faces with six equivalent K(1)O3F9 cuboctahedra, and faces with two equivalent Si(1)F6 octahedra. Si(1) is bonded to six equivalent F(1) atoms to form SiF6 octahedra that share faces with two equivalent K(2)O6F6 cuboctahedra and faces with six equivalent K(1)O3F9 cuboctahedra. N(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one N(1) atom. F(1) is bonded in a single-bond geometry to one K(2), three equivalent K(1), and one Si(1) atom.
K3SiN(OF2)3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to three equivalent O(1) and nine equivalent F(1) atoms to form KO3F9 cuboctahedra that share corners with three equivalent K(2)O6F6 cuboctahedra, corners with six equivalent K(1)O3F9 cuboctahedra, faces with three equivalent K(2)O6F6 cuboctahedra, faces with four equivalent K(1)O3F9 cuboctahedra, and faces with three equivalent Si(1)F6 octahedra. All K(1)-O(1) bond lengths are 3.16 Å. There are six shorter (2.89 Å) and three longer (2.98 Å) K(1)-F(1) bond lengths. In the second K site, K(2) is bonded to six equivalent O(1) and six equivalent F(1) atoms to form distorted KO6F6 cuboctahedra that share corners with six equivalent K(1)O3F9 cuboctahedra, corners with six equivalent K(2)O6F6 cuboctahedra, faces with six equivalent K(1)O3F9 cuboctahedra, and faces with two equivalent Si(1)F6 octahedra. All K(2)-O(1) bond lengths are 2.89 Å. All K(2)-F(1) bond lengths are 3.07 Å. Si(1) is bonded to six equivalent F(1) atoms to form SiF6 octahedra that share faces with two equivalent K(2)O6F6 cuboctahedra and faces with six equivalent K(1)O3F9 cuboctahedra. All Si(1)-F(1) bond lengths are 1.72 Å. N(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All N(1)-O(1) bond lengths are 1.27 Å. O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one N(1) atom. F(1) is bonded in a single-bond geometry to one K(2), three equivalent K(1), and one Si(1) atom.