Nitride chloride

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A chloride nitride is a

mixed anion compound containing both chloride (Cl−) and nitride ions (N3−). Another name is metallochloronitrides. They are a subclass of halide nitrides or pnictide halides.[1]

The group 4 element chloride nitrides can be intercalated by alkali metals that supply extra electrons, and other molecules such as from solvents like tetrahydrofuran, yielding layered substances that are superconductors. A superconductor transition temperature Tc of 25.5K has been achieved.[2]

Production

Nitride chlorides may be produced by heating metal nitrides with metal chlorides. The ammonolysis process heats a metal chloride with ammonia.[3] A related method heats a metal or metal hydride with ammonium chloride. The nitrogen source could also be an azide or an amide.[3]

List

name formula formula
weight 		crystal
system 		space
group 		unit cell Å volume density comments ref
Li4NCl hexagonal R3 a=366.225 c=1977.18 Z=3 [4]
Li1.8N0.4Cl0.6 Li
ion conductor
 [5]
Cyanogen chloride ClCN molecular
Magnesium nitride chloride Mg2NCl hexagonal R3m a = 3.2994 c = 17.857 [6]
phosphonitrilic chloride cyclic trimer P3N3Cl6 molecular
trithiazyl trichloride S3N3Cl3 cas 5964-00-1 [7]
Ca2NCl hexagonal R3m a 3.6665 c 19.7187 [8]
Sc2Cl2N P3m1 a = 3:517 c = 8.813 layered [1]
Sc4Cl6N
orthorhombic
 Pbam a = 11.625, b = 12.118, c = 3.5447 [1]
Sc5Cl8N C2/m a = 17.85, b = 3.5505, c = 12.090, β = 130.13 [1]
Sc7Cl12N R3 a = 12.990, c = 8.835 Sc6N clusters [1]
Titanium nitride chloride TiNCl orthorhombic Pmmn a=3.275 b=3.967 c=8.402

a = 3.937, b = 3.258, c = 7.803

109.2 black [9]
Li0.6TiNCl [9]
Cl3VNCl triclinic P1 a = 7.64, b = 7.14, c = 5.91, α = 94.9, β = 112.4, γ = 107.8 V=NCl complex [1]
Zn2NCl 180.20 orthorhombic Pna21 a=6.137 b=7.394 c=5.940 Z=4 269.5 4.441 band gap 3.21 eV [10]
Zn2NCl orthorhombic Pnma Z=16 predicted [11]
Zn2NCl hexagonal R3m predicted [11]
Sr2BN2Cl [12]
α-Y2Cl3N orthorhombic Pbcn a = 12.761, b = 6.676, c = 6.1000 [1]
β-Y2Cl3N C2/m a = 15.248, b = 3.8520, c = 10.157, β = 118.41 [1]
α-ZrNCl orthorhombic Pmmn a = 3.937, b = 3.258, c = 7.803 pale yellow-green [1]
β-zirconium nitride chloride β-ZrNCl hexagonal R3m a = 3.6031, c = 27.672 yellow-green;semiconductor; layers of Cl–Zr–N–N–Zr–Cl [13][1]
Zr6Cl15N cubic Ia3d a = 21.171 [1]
Lithium-intercalated β-zirconium nitride chloride LixZrNCl black; superconductor Tc=12.5 K [14]
NaxZrNCl superconductor Tc 15 K [13]
KxZrNCl superconductor Tc 15 K [13]
molybdenum nitride chloride MoNCl3 triclinic P1 a = 9.14, b = 7.67, c = 8.15, α = 108.8, β = 99.3, γ= 108.6 [15][1]
Mo2NCl7 triclinic P1 a = 9.057, b = 9.754, c = 12.834, α = 103.13, β = 109.83, γ = 98.58 [1]
Mo2NCl8
monoclinic
 P2/c a = 9.961, b = 6.294, c = 17.808, β = 101.82 [1]
Phenyldiazonium tetrachloronitridomolybdate C6H5N2[MoNCl4] monoclinic P21/c a = 12.83, b = 11.70, c = 19.22 β = 94.11 Z=2 dark red [15]
Technetium chloride nitride TcCl3N black; cas 154525-32-3 [7]
(Ph4As)[TcNCl4] [16]
[Se3N2Cl]+SbCl6- triclinic P1 a=6.982 b=6.997 c=15.105 α = 89.45°, β = 86.18°, γ = 68.22° Z=2 red [17]
Ba2NCl hexagonal R3m
Ba3Si3N5OCl P62c a=9.560 c=5.552 [18]
Ba25Nb5N19Cl18 [1]
LiBa4[Mo2N7]BaCl2 [1]
La2NCl3 orthorhombic Ibam a = 13.758, b = 6.922, c = 6.185 [19]
La2Cl(CN2)N orthorhombic Cmmm a = 13.340, b = 9.5267, c = 3.9402, Z=4 [20]
La6N3S4Cl orthorhombic Pnma a = 11.597; b = 4.1095; c = 27.568 Z=4 [21]
CeNCl tetragonal P4/nmm a=4.079 c=6.837 Z= black [22]
Cerium(III) nitride chloride Ce2NCl3 orthorhombic Ibam a = 13.6021 b=6.8903 c= 6.1396 Z=4 575.42 4.624 Light yellow [23]
Ce2Cl(CN2)N orthorhombic Cmmm a = 13.3914, b = 9.6345, c = 3.9568, Z=4 [20]
Ce6Cl12N2 1294.1 monoclinic P21/c a=11.233 b=16.527 c=10.798 β =90.15 Z=4 1988 4.324 yellow [22]
Na2[{(ON)Ce4}Cl9] monoclinic P21/m a = 8.1321, b = 11.4613, c = 9.4286 and β = 107.504° Z=2 [24]
Pr2NCl3 orthorhombic Ibam a = 13.531, b = 6.8512, c = 6.1072 [19]
Pr5N3S2Cl2 monoclinic C2/m a = 15.402; b = 4.0092; c = 16.563; β = 101.24°, Z = 4 [25]
Pr6N3S4Cl orthorhombic Pnma a=11.3987 b=4.0235 c=26.999 Z=4 1238.3 reddish-brown [26]
Nd2NCl3 orthorhombic Pbcn a = 13.382, b = 6.8462, c = 6.1815 [19]
Nd3NCl6 orthorhombic Pbca a = 10.4971, b = 11.0683, c = 16.211; Z = 8 [27]
Nd4NS3Cl3 hexagonal P63mc a = 9.2278, c = 6.8306; Z = 2 [27]
Nd6N3S4Cl orthorhombic Pnma a = 11.371; b = 3.9934; c = 26.876 [21]
Na2Nd4ONCl9 monoclinic P21/m a = 8.0354, b = 11.3426, c = 9.2831 and β = 107.109° [28]
Trigadolinium hexachloride nitride Gd3Cl6N 698.485 triclinic P1 a = 7.107, b = 8.156, c = 9.707, α = 75.37°, β = 109.10°, γ = 114.64° Z=2 478.8 4.84 colourless; water sensitive;
biaxial
(−) 		[29]
Gd2NCl3 orthorhombic Pbcn a=13.017 b=6.7310 c=6.1403 [19]
Gd2N2Cl tetragonal P4mm a = 4.25 c = 5.92 [30]
α-HfNCl orthorhombic Pmmn a = 4.130, b = 3.497, c = 8.070 [31][1]
β-HfNCl hexagonal R3m a = 3.5744, c = 27.7075 colourless [1]
NaxHfNCl superconductor Tc 25 K [32]
Ba3Ta3N6Cl P62c a =10.1455 c =5.9770 [18]
Ba3Cl2TaN3 hexagonal P63cm a = 15.0739, c = 6.3298; Z = 6 light yellow [33]
Ba15Ta15N33Cl4 P62c a =10.1545 c =29.917 [18]
W2NCl8 triclinic P1 a = 6.2423, b = 6.309, c = 6.931, α = 89.76, β = 81.51, γ = 82.68 [1]
W2NCl9 P21/c a = 8.421, b = 16.786, c = 11.930, β = 134.74° [1]
[WNCl3 • POCl3]4 • 2 POCl3 triclinic P1 a = 12.257 b = 11.851 c = 19.27.0 α = 102.6° β= 108.4° γ = 94.8° Z=2 [34]
Ba4[WN4]Cl2 [1]
ReNCl4 tetragonal I4 a=8.278 b=8.281 c=4.057 Z=2 brown [35][36]
ReNCl4·H2O orthorhombic Pnma a = 10.754, b = 11.085, c = 547.7 Z=4 red [36]
[NBu4][ReNCl4] orthorhombic P4/n a 11.795 b 11.795 c 8.466 ReN triple bond in complex [37]
K2OsNCl5 orthorhombic Pnma a = 13.27, b = 9.85, c = 6.84 [1]
Kleinite Hg2N(Cl,SO4)•n(H2O) hexagonal C63/mmc a = 13.56 c = 11.13 Z = 18 1,772.33 8.01 yellow [38]
Mosesite Hg2N(Cl,SO4,MoO4,CO3)•(H2O) cubic F43m a = 9.524, Z = 8 863.89 7.71 yellow; refractive index 2.065 [39]
ThNCl tetragonal P4/nmm a =4.09486 c =6.9013 [40]
Uranium nitride chloride UNCl tetragonal P4/nmm a=3.97 c=6.81 Z=2 [41]

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