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Correction: Wide band gap thiophosphates ASrPS4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation
Yi
Huang
a,
Junben
Huang
b and
Yong
Zhang
*ac
aSchool of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China. E-mail: yongzhang@hit.edu.cn
bSchool of Materials Science and Engineering, Education Ministry Key Laboratory of Nonferrous Materials Science and Engineering, Central South University, Changsha 410083 Hunan, China
cSchool of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001, PR China
First published on 8th February 2023
Abstract
Correction for ‘Wide band gap thiophosphates ASrPS4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation’ by Yi Huang et al., Dalton Trans., 2022, 51, 15067–15073, https://doi.org/10.1039/D2DT02321K.
The authors regret the inconsistences between crystal data in the cif and Table 1 as published in their original submission. The correct Table 1 is as follows:
| a R 1 = Fo − Fc/Fo and wR2 = [w(Fo2 − Fc2)2/wFo4]1/2 for Fo2 > 2σ (Fo2). | |||||
|---|---|---|---|---|---|
| Empirical formula | LiSrPS4 | NaSrPS4 | KSrPS4 | RbSrPS4 | CsSrPS4 |
| Formula weight | 253.77 | 269.82 | 285.93 | 332.30 | 379.74 |
| Crystal system | Tetragonal | Monoclinic | Orthorhombic | Orthorhombic | Orthorhombic |
| Space group | I41/acd | P21/c | Pnma | Pnma | Pnma |
| Unit cell dimensions (Å) | a = 11.5042(6) | a = 9.128(2) | a = 16.8490(17) | a = 17.3427(6) | a = 18.0743(12) |
| b = 11.5042(6) | b = 10.429(3) | b = 6.6365(6) | b = 6.6969(2) | b = 6.7904(5) | |
| c = 19.9690(18) | c = 7.0685(16) | c = 6.5607(8) | c = 6.5130(2) | c = 6.4174(4) | |
| β = 101.051° | |||||
| Z/V (Å3) | 16/2642.8(4) | 4/660.4(3) | 4/733.61(13) | 4/756.43(4) | 4/787.62(9) |
| Density (g cm−3) | 2.551 | 2.714 | 2.589 | 2.918 | 3.202 |
| Absorption coefficient (mm−1) | 9.529 | 9.603 | 9.154 | 14.721 | 12.553 |
| F (000) | 1920 | 512 | 544 | 616 | 688 |
| Completeness to theta | 98% | 99.7% | 98.8% | 99.1% | 99.7% |
| Goodness-of-fit on F2 | 1.002 | 1.008 | 1.183 | 1.127 | 1.138 |
| Final R indices [Fo2 > 2σ(Fo2)]a | R 1 = 0.0236, wR2 = 0.0636 | R 1 = 0.0379, wR2 = 0.0817 | R 1 = 0.0770, wR2 = 0.2129 | R 1 = 0.0206, wR2 = 0.0458 | R 1 = 0.0313, wR2 = 0.0750 |
| R indices (all data)a | R 1 = 0.0397, wR2 = 0.0710 | R 1 = 0.0532, wR2 = 0.0885 | R 1 = 0.0815, wR2 = 0.2158 | R 1 = 0.0225, wR2 = 0.0464 | R 1 = 0.0382, wR2 = 0.0797 |
| Largest diff. peak and hole (e Å−3) | 0.374 and −0.464 | 0.889 and −0.650 | 3.699 and −1.422 | 1.620 and −1.368 | 1.287 and −1.069 |
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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