2026-06-01T00:41:55Z https://icatplus.esrf.fr/oaipmh/request

oai:icatplus.esrf.fr:inv/2121053986 2025-06-02T06:00:19.879Z

4.2 EI 10.15151/ESRF-ES-2121053986 Shilin XU Shilin Xu 0000-0003-0658-2585 Chulin ZHANG Chulin Zhang Shilin XU Shilin Xu 0000-0003-0658-2585 Chulin ZHANG Chulin Zhang John Paul ATTFIELD John Paul Attfield 0000-0001-9763-3987 Angelica ORLOVA Angelica Orlova 0000-0002-2446-1384 Sean INJAC Sean Injac 0000-0002-4362-891X Sean INJAC Sean Injac 0000-0002-4362-891X Example Institute 2028 Data from large facility measurement 2025-05-31T06:00:00Z/2025-06-02T06:00:00Z 2025-06-02T06:00:00Z I CC-BY-4.0 Cation ordering at A or B sites of the ABO3 perovskite structure gives AA’B2O6 or A2BB’O6 double perovskites (DPvs) and 1:1 cation ordering at both sites can give AA’BB’O6 double double perovskites (DDPvs). During our high–P,T (HPHT) synthesis studies of Mn-based DPvs and DDPvs, we discovered an anomalous result – that CaMnMnTeO6 gave only a DPv (Ca0.5Mn0.5)2MnTeO6 structure whereas CaMnMnReO6 (where Re is slightly smaller than Te) and CaMnMnWO6 (where W is slightly larger than Te) both gave DDPvs. We hypothesise that significant formation of Te4+ occurs under HPHT synthesis conditions - Te4+ is unusually large due to lone pair effects and so could favour the DPv structure. In situ XRD experiments on ID06-LVP for CaMnMnReO6 and an analogue, CaMnCoReO6 which forms both DDPv and DPv polymorphs, are requested to observe the structure under HPHT synthesis conditions to test this hypothesis and to discover whether DDPv or intermediate structures are formed during synthesis.