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Lithium sulfide (Li2S)

HCID 64734
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Basic information

CAS
12136-58-2
Standard SMILES
[Li+].[Li+].[SH-]
InChIKey
ZEBXXUVDYRCDCF-UHFFFAOYSA-M
Molecular formula
HLi2S+
Average molar mass
47 g/mol
Monoisotopic mass
47.01190307

Overview

See also: Lithium sulfide (annotation moved to).

Names & identifiers

Preferred name
Lithium sulfide (Li2S)
IUPAC
dilithium;sulfanide
English name
Lithium sulfide
Molecular formula
Li2S
Molecular weight
45.95

Names & synonyms

Lithium sulfide (Li2S)Lithium sulphide, anhydrousLi2SEINECS 235-228-1UNII-SW6C51V9JZLi2S compoundLithium (sulfido)lithate(1-)DTXSID7065251SCHEMBL29350753AKOS025213873Lithium sulfide, 99.98% trace metals basisD95957
Show more names
ThiobislithiumLithum SulfideLITHIUMSULPHIDELITHIUM SULFIDEdilithiumsulfideLithium sulfide 99%lithiumsulfide(li2s)dilithiummonosulfideLithium sulphide, 99%+(lithiosulfanyl)lithium

Database identifiers

CAS
12136-58-2
PubChem CID
64734
DTXSID
DTXSID7065251
Nikkaji
J96.311I

Properties

Computed structural properties

Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
3
Formal charge
1
Complexity
2.8

Physicochemical properties

Melting point
900 °C · >900°C
Density
1.66 g/mL · 1.66 g/mL at 25 °C (lit.)
storage temp.
2 · 2-8°C
form
Powder
Specific Gravity
1.66 · 1.66
color
Yellow
Water Solubility
soluble in water and ethanol
Crystal Structure
2 type · Reverse CaF2 type
Sensitive
Moisture Sensitive
crystal system
Cube
Space group
3 m · Fm3m
Lattice constant
a/nm
Symbol(GHS)
5 · GHS05,GHS06
Signal word
Danger
Hazard statements
301 · H301-H314
Precautionary statements
260 · P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

F
8-10-13
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
rtecs
OJ6439500
ridadr
UN 2923 8/PG 2
risk_code
22-31-34
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
8
Storage Class
6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group
II
Hazard statements
H301-H314
REACH Registrations
Active
Hazard Classifications
Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
Precautionary statements
P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesLithium sulfide has been studied as a MgB2- like superconductor. It is also used as a cathode material in rechargeable lithium-sulfur batteries.

UsesLithium sulfide (Li2S) is a product specially designed for the use in high performance batteries which can be either applied as electrode material or as precursor for solid electrolytes. It as an electrode material not only has high capacity but also overcomes many problems caused by pure sulfur electrodes. Lithium sulfide is an anti fluorite semiconductor (bandgap 3.865eV). It exists in orthorhombic and cubic structures. The densities of the orthorhombic and cubic structures are 1.75g/cm3 and 1.63g/cm3 respectively. Lithium sulfide has been studied as a MgB2- like superconductor. It is also used as a cathode material in rechargeable lithium-sulfur batteries.

General DescriptionLithium sulfide is an anti fluorite semiconductor (bandgap 3.865eV). It exists in orthorhombic and cubic structures. The densities of the orthorhombic and cubic structures are 1.75g/cm3 and 1.63g/cm3 respectively.

Preparation methods · 1 item

PreparationLithium sulfide, Li2S, is formed in the reaction of lithium with sulfur in liquid ammonia, by the decomposition of the ethanol adduct of lithium hydrogen sulfide with lithium ethanolate, and, more recently, by the reaction of hydrogen sulfide with lithium amylate to yield lithium hydrogen sulfide, LiSH, which is thermally decomposed in a vacuum to yield the sulfide. A very high quality anhydrous lithium sulfide may be prepared by the reaction of lithium metal and hydrogen sulfide in tetrahydrofuran if care is taken to exclude water. The reaction product is filtered from the reaction medium, and it is vacuum dried to remove tetrahydrofuran and to decompose the small amount of lithium hydrogen sulfide which forms. Lithium sulfide is reported to have an antifluorite structure. Lithium sulfide is readily hydrolyzed, even by water in the air, yielding hydrogen sulfide. The sulfide also reacts with sulfur to form a variety of polysulfides.

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hazard Codes
C
Risk Statements
22 · 22-31-34
Safety Statements
26 · 26-36/37/39-45
RIDADR
2923 · UN 2923 8/PG 2
WGK Germany
3 · 3
RTECS
6439500 · OJ6439500
F
8 · 8-10-13
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
II
Storage Class
6.1 B · 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications
3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
REACH Registrations
Active
LithiumCarbon fine powderSULFUR AA STANDARDLithium sulfate