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Materials Data on SrN2 by Materials Project

SrN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q4 geometry to ten equivalent N1- atoms. There are two shorter (2.52 Å) and eight longer (2.80 Å) Sr–N bond lengths. N1- is bonded in a 2-coordinate geometry to five equivalent Sr2+ and one N1- atom. The N–N bond length is 1.25 Å.

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Materials Data on Sr2N by Materials Project

Sr2N is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sr2N sheets oriented in the (0, 0, 1) direction. Sr is bonded in a distorted T-shaped geometry to three equivalent N atoms. All Sr–N bond lengths are 2.62 Å. N is bonded to six equivalent Sr atoms to form edge-sharing NSr6 octahedra.

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Materials Data on SrN6 by Materials Project

SrN6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. There are four shorter (2.72 Å) and four longer (2.75 Å) Sr–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent Sr2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.

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Materials Data on SrN by Materials Project

SrN crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven N2- atoms to form a mixture of distorted edge and face-sharing SrN7 pentagonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.62–3.00 Å. In the second Sr2+ site, Sr2+ is bonded in a rectangular see-saw-like geometry to four N2- atoms. There are a spread of Sr–N bond distances ranging from 2.57–2.65 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 6-coordinate geometry to five Sr2+ and one N2- atom. The N–N bond length is 1.23 Å. In the second N2- site, N2- is bonded to six Sr2+ atoms to form edge-sharing NSr6 octahedra.

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Materials Data on Sr4N3 by Materials Project

Sr4N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a rectangular see-saw-like geometry to four N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.53–2.80 Å. In the second Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form distorted SrN4 trigonal pyramids that share corners with two equivalent SrN5 square pyramids, corners with six SrN4 trigonal pyramids, edges with two equivalent SrN5 square pyramids, and an edgeedge with one SrN4 trigonal pyramid. There are a spread of Sr–N bond distances ranging from 2.38–2.71 Å. In the third Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with two equivalent SrN5 square pyramids, corners with six SrN4 trigonal pyramids, edges with two equivalent SrN5 square pyramids, and an edgeedge with one SrN4 trigonal pyramid. There are a spread of Sr–N bond distances ranging from 2.56–2.85 Å. In the fourth Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 square pyramids that share corners with four SrN4 trigonal pyramids, edges with two equivalent SrN5 square pyramids, and edges with four SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.53–2.85 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form edge-sharing NSr6 octahedra. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the third N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form distorted edge-sharing NSr6 octahedra.

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Materials Data on Sr3N2 by Materials Project

Sr3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Sr2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.63–2.68 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. In the second N3- site, N3- is bonded to six equivalent Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 53°.

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Materials Data on Sr3N2 by Materials Project

Sr3N2 is High-temperature superconductor-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Sr3N framework. In the Sr3N framework, Sr2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Sr–N bond lengths are 2.49 Å. N3- is bonded to six equivalent Sr2+ atoms to form corner-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Sr4N3 by Materials Project

Sr4N3 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Sr4N3 sheet oriented in the (0, 0, 1) direction. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six N+2.67- atoms to form a mixture of edge and corner-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sr–N bond distances ranging from 2.72–2.83 Å. In the second Sr2+ site, Sr2+ is bonded to six N+2.67- atoms to form a mixture of edge and corner-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sr–N bond distances ranging from 2.72–2.85 Å. In the third Sr2+ site, Sr2+ is bonded in a trigonal non-coplanar geometry to three equivalent N+2.67- atoms. All Sr–N bond lengths are 2.49 Å. In the fourth Sr2+ site, Sr2+ is bonded in a trigonal non-coplanar geometry to three equivalent N+2.67- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sr–N bond lengths. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge and corner-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge and corner-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge and corner-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 3°.

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Materials Data on SrN2 by Materials Project

SrN2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded in a distorted hexagonal planar geometry to six equivalent N1- atoms. There are four shorter (2.59 Å) and two longer (2.66 Å) Sr–N bond lengths. N1- is bonded in a distorted trigonal planar geometry to three equivalent Sr2+ atoms.

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Materials Data on Sr2N by Materials Project

Sr2N is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two ammonia molecules and two Sr clusters. In each Sr cluster, Sr is bonded in a single-bond geometry to one Sr atom. The Sr–Sr bond length is 4.45 Å.

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Materials Data on SrN by Materials Project

SrN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N2- atoms to form a mixture of corner and edge-sharing SrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.69 Å. N2- is bonded to six equivalent Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Sr4N3 by Materials Project

Sr4N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with seven SrN5 trigonal bipyramids, corners with three SrN4 trigonal pyramids, edges with three SrN5 trigonal bipyramids, and edges with two equivalent SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.54–2.67 Å. In the second Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent SrN5 trigonal bipyramids, corners with seven SrN4 trigonal pyramids, edges with five SrN5 trigonal bipyramids, and edges with three SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.58–2.81 Å. In the third Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with seven SrN5 trigonal bipyramids, corners with three SrN4 trigonal pyramids, edges with three SrN5 trigonal bipyramids, and edges with two equivalent SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.54–2.67 Å. In the fourth Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent SrN5 trigonal bipyramids, corners with seven SrN4 trigonal pyramids, edges with five SrN5 trigonal bipyramids, and edges with three SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.58–2.80 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge, face, and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. In the second N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge, face, and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. In the third N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge, face, and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°.

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Materials Data on SrN by Materials Project

SrN is Halite, Rock Salt structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N2- atoms to form a mixture of edge and corner-sharing SrN6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Sr–N bond distances ranging from 2.68–2.77 Å. N2- is bonded to six equivalent Sr2+ atoms to form a mixture of edge and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.

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