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Table 2 Geometrical parameters of optimized NFC introducing stability onset in As-Se/S ChG: As2Se5 (Z = 2.29, Δl = 2) and As2S6 (Z = 2.25, Δl = 0)

From: Network-Forming Nanoclusters in Binary As–S/Se Glasses: From Ab Initio Quantum Chemical Modeling to Experimental Evidences

Nanocluster, Z

Bond distance, [⋅10−4 nm]

Bond angle, [deg]

As–Ch

Ch–Ch

∠Ch–As–Ch

∠Ch–Ch–As

∠Ch–Ch–Ch

As2Se5, Z = 2.29

2394

2399

2404

2404

2393

2399

2347

2347

97.4

96.1

97.6

96.3

97.5

97.6

99.3

99.1

105.7

Average

2399

2347

97.1

99.2

105.7

As2S6, Z = 2.25

2264

2262

2267

2261

2263

2262

2086

102.9

103.7

93.1

105.9

102.5

100.1

99.6

99.7

Average

2263

2086

101.3

99.7

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