Witherite Antao S M, Hassan I Physics and Chemistry of Minerals 34 (2007) 573-580 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase transition at 811 C Locality: synthetic Sample: T = 298 C _database_code_amcsd 0009101 5.3226 8.9212 6.5374 90 90 90 Pmcn atom x y z Uiso Ba .25 .4167 .7559 .0174 C .25 .7434 -.0659 .0475 O1 .25 .8973 -.0784 .0475 O2 .4668 .6817 -.0766 .0475