Kuzelite Allmann R Neues Jahrbuch fur Mineralogie, Monatshefte 1977 (1977) 136-144 Refinement of the hybrid layer structure [Ca2Al(OH)6]+*[1/2SO4*3H2O]- Note: z(Wat1) adjusted to match reported bond lengths _database_code_amcsd 0014757 5.7586 5.7586 26.7946 90 90 120 R-3 atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Ca 2/3 1/3 .02134 .006433 .006433 .000783 .003217 0 0 Al 0 0 0 .005730 .005730 .000662 .002865 0 0 Oh .2511 -.0547 .03731 .009147 .010755 .000742 .005428 -.000056 .000318 H .211 -.115 .0667 3.2 S 0 0 .4955 .25 .019702 .019702 .000961 .000985 0 0 O1 0 0 .5486 .25 .061316 .061316 .000592 .030658 0 0 O2 .2688 .1821 .4771 .25 .035986 .046640 .001765 .015982 .000430 -.000075 Wat2 .2688 .1821 .4771 1/6 .035986 .046640 .001765 .015982 .000430 -.000075 Wat1 2/3 1/3 .11452 .038498 .038498 .000992 .019249 0 0