Accuracy
ca(ii)o8 (caarab) r
2769 Ca(II)O8 (CAARAB) (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
Ca(II)O8 (CAARAB)
<Ca-O> <><O-Ca-O> GR=CCDC
Ca 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.46821600 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.07639483 +1 65.1726730 +1 0.0000000 +0 1 2 0
O 1.20312808 +1 1.8371307 +1 -3.1456647 +1 0 0 0
O -0.93971856 +1 0.8789560 +1 -1.8955530 +1 0 0 0
C 1.00699915 +1 5.1940206 +1 -1.6540415 +1 0 0 0
H 2.61589460 +1 2.8303934 +1 -0.2145952 +1 0 0 0
H 1.92060954 +1 1.1715669 +1 -3.3018637 +1 0 0 0
H -0.88144461 +1 5.6366840 +1 -1.3374780 +1 0 0 0
H 2.56061527 +1 3.2426402 +1 -2.5709480 +1 0 0 0
H 0.02756955 +1 3.9240734 +1 -3.1727505 +1 0 0 0
H 1.44051764 +1 5.1240286 +1 -0.6374879 +1 0 0 0
H 1.73379366 +1 5.6589244 +1 -2.3420240 +1 0 0 0
H -1.09562227 +1 1.8607440 +1 -1.7573890 +1 0 0 0
O 3.25073492 +1 0.4884917 +1 -2.0467598 +1 0 0 0
O -0.59332764 +1 3.4748908 +1 -1.3320713 +1 0 0 0
O -0.06480153 +1 6.1146748 +1 -1.6052965 +1 0 0 0
O 1.11869397 +1 -1.6992660 +1 -0.4170214 +1 0 0 0
O -0.83001821 +1 -1.6482047 +1 1.3209002 +1 0 0 0
O 0.89408908 +1 0.3062587 +1 2.0702424 +1 0 0 0
O -1.90185631 +1 1.1670288 +1 0.5774200 +1 0 0 0
C 2.34072754 +1 -1.4729220 +1 -0.2194151 +1 0 0 0
C 0.12578772 +1 -1.8993288 +1 2.2822594 +1 0 0 0
C 0.98335964 +1 -0.9336558 +1 2.6458893 +1 0 0 0
H 1.82260798 +1 0.7236143 +1 1.9855911 +1 0 0 0
H -2.63767141 +1 1.3390110 +1 -0.0218095 +1 0 0 0
O 3.32814620 +1 -2.1296850 +1 -0.0833465 +1 0 0 0
H 0.07899696 +1 -2.8893648 +1 2.7169629 +1 0 0 0
C 0.69273492 +1 3.5391501 +1 1.8910025 +1 0 0 0
H 1.74051415 +1 -1.0306934 +1 3.4147248 +1 0 0 0
C -0.66099503 +1 4.2170959 +1 1.8016932 +1 0 0 0
H 0.71290628 +1 2.5171241 +1 2.2853547 +1 0 0 0
O 1.69322883 +1 4.1381167 +1 1.5859805 +1 0 0 0
H -0.71800786 +1 5.1146418 +1 2.4454847 +1 0 0 0
H -0.91157218 +1 4.5195380 +1 0.7604311 +1 0 0 0
O -1.70679166 +1 3.3297452 +1 2.1514810 +1 0 0 0
H -1.58000908 +1 2.9664219 +1 3.0537667 +1 0 0 0
H -0.28714072 +1 0.9747274 +1 -2.6393905 +1 0 0 0
H -1.84081768 +1 1.9797334 +1 1.1275148 +1 0 0 0
C 2.65888126 +1 0.8067022 +1 -1.0439378 +1 0 0 0
C 1.93835380 +1 2.1379054 +1 -0.7854005 +1 0 0 0
C 1.62011894 +1 2.7853771 +1 -2.1748464 +1 0 0 0
C 0.49136055 +1 3.8330659 +1 -2.1602882 +1 0 0 0
H -0.21361570 +1 2.9570848 +1 -0.5258604 +1 0 0 0
H -1.06684648 +1 -2.5180397 +1 0.8722071 +1 0 0 0