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In these formulas, the ligand orbital (LO) and spin\u2013orbit coupling (SOC) contributions are included due to the shorter impurity\u2010ligand distance\n R<\/jats:italic>\n (\u22481.83\u2009\u00c5) and hence the strong covalency of the studied [CuO\n 4<\/jats:sub>\n ]\n 6\u2212<\/jats:sup>\n cluster, and the related molecular orbital coefficients are quantitatively determined from the cluster approach in a uniform way; meanwhile, the required crystal field (CF) parameters for the tetragonally distorted tetrahedron (TDT) are estimated from the superposition model and the local structure of the impurity Cu\n 2+<\/jats:sup>\n center. According to the calculation, the bond angle\n \u03b8<\/jats:italic>\n between the four equivalent Cu\n 2+<\/jats:sup>\n \u2010O\n 2\u2212<\/jats:sup>\n bonds and the C\n 4<\/jats:sub>\n axis in the CaWO\n 4<\/jats:sub>\n :Cu\n 2+<\/jats:sup>\n is found to be about 2.1\u00b0 smaller than that (\n \u03b8<\/jats:italic>\n 0<\/jats:sub>\n \u2009\u2248\u200954.74\u00b0) for an ideal tetrahedron due to the Jahn\u2013Teller (JT) effect and the size mismatch. The fitted results agree well with the observed values, and the validity of the present assignment for the local structure of the Cu\n 2+<\/jats:sup>\n center is also discussed.\n <\/jats:p>","DOI":"10.1002\/mrc.5311","type":"journal-article","created":{"date-parts":[[2022,9,12]],"date-time":"2022-09-12T23:04:04Z","timestamp":1663023844000},"page":"8-15","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Studies on the EPR parameters and local angular distortion for the tetragonal Cu\n 2+<\/sup>\n center in CaWO\n 4<\/sub>\n crystal"],"prefix":"10.1002","volume":"61","author":[{"given":"Baojin","family":"Chen","sequence":"first","affiliation":[{"name":"Key Laboratory of Opto\u2010Electronic Information Science and Technology of Jiangxi Province Nanchang Hangkong University Nanchang China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Linchao","family":"Yao","sequence":"additional","affiliation":[{"name":"Key Laboratory of Opto\u2010Electronic Information Science and Technology of Jiangxi Province Nanchang Hangkong University Nanchang China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0760-3464","authenticated-orcid":false,"given":"Cuidi","family":"Feng","sequence":"additional","affiliation":[{"name":"Key Laboratory of Opto\u2010Electronic Information Science and Technology of Jiangxi Province Nanchang Hangkong University Nanchang China"},{"name":"Key Laboratory of Nondestructive Testing, Ministry of Education Nanchang Hangkong University Nanchang China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0590-8336","authenticated-orcid":false,"given":"Huaming","family":"Zhang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Opto\u2010Electronic Information Science and Technology of Jiangxi Province Nanchang Hangkong University Nanchang China"},{"name":"Jiangxi Engineering Laboratory for Optoelectronics Testing Technology Nanchang Hangkong University Nanchang China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wenbo","family":"Xiao","sequence":"additional","affiliation":[{"name":"Key Laboratory of Opto\u2010Electronic Information Science and Technology of Jiangxi Province Nanchang Hangkong University Nanchang China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2022,9,20]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2021.132333"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2313(82)90004-7"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jlumin.2019.116617"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jallcom.2020.157377"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.optmat.2019.109562"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.radphyschem.2016.02.006"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1088\/1402-4896\/ab4d2a"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmr.2010.12.015"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3719\/11\/24\/032"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/mrc.5232"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jpcs.2020.109800"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1080\/14786430903369585"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-3697(96)00178-3"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1080\/10420150.2016.1138223"},{"key":"e_1_2_9_16_1","first-page":"514","volume":"15","author":"Lynch G. 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