Table 1 The single-crystal x-ray diffraction measurement of NaRu2O4 at 300 K is used for the refinement.
From: Coexisting Z-type charge and bond order in metallic NaRu2O4
Atoms | x | y | z | Uiso | Site |
|---|---|---|---|---|---|
Ru1(A) | 0.05988(6) | 0.10622(13) | 0.11842(5) | 0.0043(2) | 4e |
Ru1(B) | 0.05614(7) | 0.64469(14) | 0.11228(4) | 0.0042(2) | 4e |
Ru2(B) | 0.08283(7) | 0.14396(14) | 0.60006(5) | 0.0040(2) | 4e |
Ru2(A) | 0.08712(7) | 0.60733(14) | 0.60517(4) | 0.0042(2) | 4e |
Na1(A) | 0.2383(3) | 0.1310(9) | 0.3396(2) | 0.0160(6) | 4e |
Na1(B) | 0.2412(3) | 0.6313(9) | 0.3417(3) | 0.0208(7) | 4e |
O1A | 0.2874(5) | 0.1328(12) | 0.6631(4) | 0.0062(9) | 4e |
O1B | 0.3030(5) | 0.6215(13) | 0.6541(4) | 0.0066(9) | 4e |
O2A | 0.3870(5) | 0.1250(12) | 0.9847(4) | 0.0073(9) | 4e |
O2B | 0.3829(5) | 0.6171(12) | 0.9676(4) | 0.0065(9) | 4e |
O3A | 0.4676(5) | 0.1135(12) | 0.2149(4) | 0.0061(9) | 4e |
O3B | 0.4783(5) | 0.6232(11) | 0.2240(4) | 0.0067(9) | 4e |
O4A | 0.0951(5) | 0.1221(12) | 0.9385(4) | 0.0052(9) | 4e |
O4B | 0.0775(5) | 0.6322(11) | 0.9310(4) | 0.0065(9) | 4e |
