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CrN2 is Silicon Disuphide structured and crystallizes in the orthorhombic Ibam space group. The structure is one-dimensional and consists of two CrN2 ribbons oriented in the (0, 1, 0) direction. Cr6+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Cr–N bond lengths are 1.75 Å. N3- is bonded in an L-shaped geometry to two equivalent Cr6+ atoms.
CrN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Cr–N bond distances ranging from 1.65–2.27 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a T-shaped geometry to three equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Cr6+ atoms.
CrN2 is beta Tridymite structured and crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms.
CrN2 is beta Vanadium nitride-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent N3- atoms to form a mixture of corner and edge-sharing CrN6 octahedra. The corner-sharing octahedral tilt angles are 45°. There is four shorter (1.87 Å) and two longer (1.97 Å) Cr–N bond length. N3- is bonded in a distorted T-shaped geometry to three equivalent Cr6+ atoms.
CrN2 is high (beta) Cristobalite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr6+ is bonded to four equivalent N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.73 Å. N3- is bonded in a linear geometry to two equivalent Cr6+ atoms.
CrN2 crystallizes in the trigonal P3_2 space group. The structure is three-dimensional. Cr6+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Cr–N bond distances ranging from 2.06–2.44 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent Cr6+ and one N3- atom. The N–N bond length is 1.33 Å. In the second N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent Cr6+ and one N3- atom.
CrN2 is quartz (alpha)-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.76 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.
CrN2 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.65–1.83 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.73–1.82 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.
CrN2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing CrN6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of Cr–N bond distances ranging from 1.77–2.16 Å. N3- is bonded in a 3-coordinate geometry to three equivalent Cr6+ atoms.
CrN2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.69–1.87 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.68–1.81 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.
CrN2 crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.75 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.76 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms.
CrN2 is quartz (beta)-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is one shorter (1.72 Å) and three longer (1.73 Å) Cr–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms.
CrN2 crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Cr6+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Cr–N bond lengths are 1.95 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Cr6+ and one N3- atom. The N–N bond length is 1.29 Å.
CrN2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent N3- atoms to form CrN6 octahedra that share corners with twelve equivalent CrN6 octahedra and corners with six equivalent NCr3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. All Cr–N bond lengths are 2.06 Å. N3- is bonded to three equivalent Cr6+ and one N3- atom to form NCr3N tetrahedra that share corners with three equivalent CrN6 octahedra and corners with fifteen equivalent NCr3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. The N–N bond length is 1.36 Å.
CrN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to five N3- atoms to form CrN5 trigonal bipyramids that share corners with three CrN4 tetrahedra, corners with two equivalent CrN5 trigonal bipyramids, and an edgeedge with one CrN5 trigonal bipyramid. There are a spread of Cr–N bond distances ranging from 1.66–1.97 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form CrN4 tetrahedra that share corners with two equivalent CrN4 tetrahedra and corners with three CrN5 trigonal bipyramids. There are a spread of Cr–N bond distances ranging from 1.64–1.89 Å. In the third Cr6+ site, Cr6+ is bonded to five N3- atoms to form distorted CrN5 trigonal bipyramids that share corners with three CrN4 tetrahedra, corners with two equivalent CrN5 trigonal bipyramids, and an edgeedge with one CrN5 trigonal bipyramid. There are a spread of Cr–N bond distances ranging from 1.62–2.08 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form CrN4 tetrahedra that share corners with two equivalent CrN4 tetrahedra and corners with three CrN5 trigonal bipyramids. There are a spread of Cr–N bond distances ranging from 1.66–1.84 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a distorted linear geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the sixth N3- site, N3- is bonded in a distorted T-shaped geometry to three Cr6+ atoms. In the seventh N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the eighth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms.
CrN2 is Keatite-like structured and crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.73 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms.
CrN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.58–1.86 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.84 Å. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.67–1.81 Å. In the fourth Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.68–1.86 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the third N3- site, N3- is bonded in a water-like geometry to two Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the fifth N3- site, N3- is bonded in a linear geometry to two Cr6+ atoms. In the sixth N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms. In the seventh N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to three Cr6+ atoms. In the eighth N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms.
CrN2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.71 Å) and two longer (1.79 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form distorted corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.66–1.83 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two Cr6+ atoms.