Accuracy
ba(ii)o11 (jawzow) r
6350 Ba(II)O11 (JAWZOW) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
PM7
Ba(II)O11 (JAWZOW)
<Ba-O> <Ba-O><O-Ba-O> <><><> <Ba-N> GR=CCDC
Ba 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.83253000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.94337300 +1 91.1501380 +1 0.0000000 +0 1 2 0
O 2.12934819 +1 74.1514350 +1 46.9150243 +1 3 1 2
N 3.28765200 +1 109.8795954 +1 76.8644623 +1 1 2 3
O -1.13285189 +1 1.6000710 +1 -2.1503671 +1 0 0 0
O -1.05661161 +1 -0.4897074 +1 -2.5399789 +1 0 0 0
O -1.14364802 +1 0.8923965 +1 -4.2096242 +1 0 0 0
O 1.94195648 +1 -1.9464393 +1 1.6109265 +1 0 0 0
O -3.16588214 +1 -1.1469190 +1 0.8127389 +1 0 0 0
O -0.50320038 +1 -2.6836533 +1 -0.0969961 +1 0 0 0
O 2.09027538 +1 -2.0557164 +1 -1.5455630 +1 0 0 0
O 1.54174671 +1 0.8711342 +1 2.4439837 +1 0 0 0
O -1.44992857 +1 -0.0683595 +1 2.3672862 +1 0 0 0
C -2.71999353 +1 -1.8164819 +1 -0.3686550 +1 0 0 0
C -1.87382271 +1 -3.0213606 +1 0.0671419 +1 0 0 0
C 0.35736195 +1 -3.5106678 +1 -0.8704673 +1 0 0 0
C 0.90012583 +1 -2.6955596 +1 -2.0353011 +1 0 0 0
C 2.37338084 +1 -0.7952370 +1 -2.1600050 +1 0 0 0
C 3.43235331 +1 -0.0990267 +1 -1.2858911 +1 0 0 0
C 3.41749362 +1 0.8910273 +1 0.9504810 +1 0 0 0
C 2.30012414 +1 1.7343250 +1 1.5815927 +1 0 0 0
C 0.35001099 +1 1.4675504 +1 2.9682365 +1 0 0 0
C -0.54000808 +1 0.2931520 +1 3.3926077 +1 0 0 0
C -2.58150139 +1 0.7646811 +1 2.1291000 +1 0 0 0
C -3.11819334 +1 0.2757165 +1 0.7649026 +1 0 0 0
H 2.28417084 +1 -1.1785503 +1 2.0886804 +1 0 0 0
H 2.26586783 +1 -1.8363001 +1 0.7062527 +1 0 0 0
H -2.13876355 +1 -1.1384645 +1 -1.0497519 +1 0 0 0
H -3.62825782 +1 -2.1123885 +1 -0.9181375 +1 0 0 0
H -2.13030382 +1 -3.9351121 +1 -0.4884066 +1 0 0 0
H -1.95096724 +1 -3.2005523 +1 1.1613033 +1 0 0 0
H -0.14559601 +1 -4.4319113 +1 -1.1953692 +1 0 0 0
H 1.17110051 +1 -3.7527021 +1 -0.1449790 +1 0 0 0
H 0.15684409 +1 -1.9387523 +1 -2.3948627 +1 0 0 0
H 1.17555537 +1 -3.3332426 +1 -2.8996283 +1 0 0 0
H 1.42899154 +1 -0.1975113 +1 -2.2216139 +1 0 0 0
H 2.75423328 +1 -0.9622413 +1 -3.1807437 +1 0 0 0
H 3.65305095 +1 0.9202268 +1 -1.6887041 +1 0 0 0
H 4.36770397 +1 -0.6661533 +1 -1.1780763 +1 0 0 0
H 4.19050814 +1 1.5298092 +1 0.4907331 +1 0 0 0
H 3.88594963 +1 0.2368671 +1 1.7090490 +1 0 0 0
H 1.60874040 +1 2.1444345 +1 0.7899176 +1 0 0 0
H 2.71785378 +1 2.5588688 +1 2.1773611 +1 0 0 0
H -0.13663547 +1 2.0851611 +1 2.1771131 +1 0 0 0
H 0.61910551 +1 2.1096481 +1 3.8226841 +1 0 0 0
H -1.08008345 +1 0.4445500 +1 4.3375234 +1 0 0 0
H 0.06605580 +1 -0.6493429 +1 3.4530811 +1 0 0 0
H -2.27473643 +1 1.8298077 +1 2.0709020 +1 0 0 0
H -3.30513160 +1 0.6228076 +1 2.9481137 +1 0 0 0
H -2.49082658 +1 0.6548807 +1 -0.0785697 +1 0 0 0
H -4.14562163 +1 0.6423498 +1 0.5924411 +1 0 0 0
N 0.47219284 +1 3.2078349 +1 -1.1264700 +1 0 0 0
O 0.15159618 +1 4.1924410 +1 -1.7550854 +1 0 0 0