Cafarsite Gatta G D, Rotiroti N, Camara F, Meven M Physics and Chemistry of Minerals 45 (2018) 819-829 On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xray final Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola province, Italy _database_code_amcsd 0020738 15.9507 15.9507 15.9507 90 90 90 *Pn3 .25 .25 .25 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) As1 .376381 .376381 .376381 .00541 .00541 .00541 .00541 .00145 .00145 .00145 As2 .229208 .977835 .038446 .00445 .00514 .00409 .00412 -.00095 -.00038 .00027 As3 .392756 .640833 .351641 .00808 .01166 .00575 .00682 -.00045 .00410 .00077 Ca1a .1527 .1527 .1527 .143 .0020 Ca1b .16339 .16339 .16339 .857 .0020 Ca2 .09341 .62515 .35629 1.012 .00640 .0060 .0069 .0063 -.00210 -.00076 .00032 Ti1a .95176 .75 .25 .642 .00370 .0029 .0047 .0035 0 0 .00121 Ti1b .95176 .75 .25 .358 .00370 .0029 .0047 .0035 0 0 .00121 Fe1 .25 .75 .75 .868 .0330 .0868 .0030 .0092 0 0 0 Fe2 -.00609 .25 .25 .822 .00229 .0012 .0027 .0030 0 0 -.0015 Mn1a 0 0 0 .413 .00516 .0052 .0052 .0052 .00143 .00143 .00143 Mn1b 0 0 0 .587 .00516 .0052 .0052 .0052 .00143 .00143 .00143 O1 -.00547 .98129 .13702 .0075 .0091 .0055 .0080 .0033 .0000 -.0024 O2 .30976 .00360 .35984 .0080 .0113 .0096 .0032 -.0017 -.0013 .0018 O3 .28784 .63300 .04765 .0082 .0106 .0032 .0109 .0011 -.0019 -.0009 O4 .16380 .73782 .14561 .0094 .0085 .0075 .0123 .0000 .0046 .0015 O5 .17405 .59476 .22248 1.067 .0432 .0361 .0543 .0393 .0353 .0211 .0343 O6 .03245 .66390 .22564 .0084 .0074 .0095 .0083 .0027 .0029 .0009 O7 .17329 .41767 .21345 1.027 .0208 .0254 .0279 .0091 -.0177 .0011 -.0077 F .75 .75 .75 .941 .0096 .0096 .0096 .0096 0 0 0