perovskite atlas Structures, modes and phase transitions · Josu M. Igartua · UPV/EHU

Table 4 · Orayech et al. 2016

Table 4 · Orayech et al. 2016

status published · visibility public · id tbl:10.1039-c6dt02473d.4

Selected room-temperature interatomic distances/pm and angles/ { }^{\circ} for \mathrm{Sr}_{2} \mathrm{Co}_{1-x} \mathrm{Fe}_{x} \mathrm{TeO}_{6}(x=0,0.25,0.5,0.75, and 1)

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Orayech et al. 2016
Table
4
Composition x=0 x=0.25 x=0.25 x=0.25 x=1
2d octahedra
( \mathrm{Co} / \mathrm{Fe} / \square )-O1 213.6(3) 206.0(3) 205(2) 205.5(3) 203(1)
( \mathrm{Co} / \mathrm{Fe} / \square )-O2 214.5(4) 207.2(2) 204(3) 203.4(2) 201.1(1)
\mathrm{Co}-\mathrm{O} 3 207.5(3) - - - -
Average distance/pm 208.7(1) 207(1) 205(1) 203.6(1) 201.7(1)
Predicted distance/pm 214(1) 208(1) 207(1) 207(1) 204(1)
2a octahedra
( \mathrm{Te} / \mathrm{Fe} )-O1 195.5(4) 196.7(3) 195.3(2) 195.9(3) 197(1)
( \mathrm{Te} / \mathrm{Fe} )-O2 197.4(3) 193.7(2) 196(3) 197(2) 196.8(1)
Te-O3 192.5(4) - - - -
Average distance/pm 194.9(1) 195.2(1) 195.6(1) 196.4(1) 197.1(1)
Predicted distance/pm 196(1) 196(1) 196(1) 196(1) 196(1)
\mathrm{O} 1-(\mathrm{Co} / \mathrm{Fe} / \square)^{2 d}-\mathrm{O} 2 90.60(1) 92.50(2) 93(3) 93(2) 91.0(2)
\mathrm{O} 2-(\mathrm{Co} / \mathrm{Fe} / \square)^{2 d}-\mathrm{O} 2 90.60(1) 92(3) 92(2) 91(14) 93.70(2)
\mathrm{O} 2-(\mathrm{Co} / \mathrm{Fe} / \square)^{2 d}-\mathrm{O} 3 91.20(1) - - - -
\mathrm{O} 1-(\mathrm{Te} / \mathrm{Fe})^{2 a}-\mathrm{O} 2 90.50(2) 92.3(2) 92(2) 92(2) 90.90(1)
\mathrm{O} 2-(\mathrm{Te} / \mathrm{Fe})^{2 a}-\mathrm{O} 2 90.80(2) 92(3) 91(2) 91(1) 92.0(1)
\mathrm{O} 2-(\mathrm{Fe} / \mathrm{Te})^{2 a}-\mathrm{O} 3 90.50(2) - - - -
(\mathrm{Co} / \mathrm{Fe} 1 / \square)^{2 d}-\mathrm{O} 1-(\mathrm{Te} / \mathrm{Fe} 2)^{2 a} 163.7(3) 160.74(3) 155(3) 167.0(3) 167.2(3)
(\mathrm{Co} / \mathrm{Fe} 1 / \square)^{2 d}-\mathrm{O} 2-(\mathrm{Te} / \mathrm{Fe} 2)^{2 a} 165.6(3) 171.04(3) 174.4(3) 167.4(3) 172.0(2)
(\mathrm{Co} / \mathrm{Fe} 1 / \square)^{2 d}-\mathrm{O} 3-(\mathrm{Te} / \mathrm{Fe} 2)^{2 a} 168.1(3) - - - -
\mathrm{SrO}_{12} icosahedron
\mathrm{Sr}-\mathrm{O} 1 2.67(3) 2.82(3) 2.67(3)
Sr-O2 (\times 2) 2.534(3) 2.56(3) 2.56(3)
\mathrm{Sr}-\mathrm{O} 2(\times 2) 2.643(2) 2.67(3) 2.74(3)

Evidence