Devilline Sabelli C, Zanazzi P F Acta Crystallographica B28 (1972) 1182-1189 The crystal structure of devillite Locality: Herrengrund, Hungary Note: z-coordinate of Cu7 altered to match reported bond lengths _database_code_amcsd 0009434 20.870 6.135 22.191 90 102.73 90 P2_1/c atom x y z Biso Ca1 .0071 .3314 .1502 1.18 Ca2 .5105 .6670 .1506 1.36 Cu1 .2469 .4984 .0002 1.90 Cu2 .2542 .0018 .0024 1.92 Cu3 .2560 .7578 .1242 1.91 Cu4 .2591 .2546 .1258 2.05 Cu5 .2500 .5199 .2515 1.67 Cu6 .2500 .0211 .2482 1.80 Cu7 .2436 .2538 .3741 2.05 Cu8 .2458 .7592 .3736 2.06 S1 .1060 .0610 .0533 1.25 S2 .0957 .0302 .2854 1.17 S3 .4031 .4617 .2125 1.27 S4 .3947 .4365 .4463 1.27 O1 .0834 .3430 .4909 1.13 O2 .0595 .8672 .0548 2.11 O3 .0896 .2196 .1000 1.49 O4 .1754 .0145 .0660 1.80 O5 .0818 .1802 .2323 1.69 O6 .0596 .8447 .2672 4.77 O7 .0681 .1160 .3375 2.72 O8 .1672 .9968 .3065 2.14 O9 .4285 .3744 .1624 2.20 O10 .3328 .4906 .1938 1.94 O11 .4126 .2968 .2652 4.25 O12 .4341 .6925 .2267 1.55 O13 .4060 .2721 .3993 3.86 O14 .3232 .4816 .4298 1.86 O15 .4059 .1762 .0085 2.16 O16 .4254 .6517 .4461 2.03 OH17 .2923 .7416 .0494 1.37 OH18 .2914 .2505 .0522 1.11 OH19 .2079 .4898 .0873 1.10 OH20 .3058 -.0023 .1631 1.37 OH21 .2132 .7444 .1956 .87 OH22 .2128 .2519 .1959 1.63 OH23 .2923 .7667 .3046 2.71 OH24 .2889 .2454 .3054 1.27 OH25 .1966 .5134 .3353 2.70 OH26 .2941 .9898 .4145 3.32 OH27 .2030 .7321 .4482 1.68 OH28 .2020 .2597 .4500 2.06 Wat29 .0701 .6567 .1610 .76 Wat30 .0577 .5324 .3773 2.53 Wat31 .0448 .9112 .4530 2.34 Wat32 .4403 .5932 .0441 3.43 Wat33 .4501 .9931 .1190 2.66 Wat34 .4213 .8496 .3373 .76