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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
Bi2Br6 <Bi-Bi> <Bi-Br><> <><><> <Bi-Br> GR=PW91D Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 Bi 4.30904700 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 Br 3.12405200 +1 35.8655854 +1 0.0000000 +0 2 1 0 0.0000 Br 4.33498349 +1 35.6324647 +1 -157.5099476 +1 1 2 3 0.0000 Br 2.86152400 +1 139.1548810 +1 84.7164866 +1 1 2 4 0.0000 Br 2.65992237 +1 121.4672733 +1 155.7157243 +1 1 2 5 0.0000 Br 2.65950416 +1 155.2547386 +1 102.4381798 +1 2 1 3 0.0000 Br 2.66259189 +1 104.1627389 +1 145.6814144 +1 2 1 7 0.0000