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: xraysplit final Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola province, Italy _database_code_amcsd 0020740 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 .376389 .376389 .376389 .00540 .00540 .00540 .00540 .00145 .00145 .00145 As2 .229204 .977837 .038447 .00447 .00513 .00410 .00417 -.00093 -.00037 .00026 As3 .392764 .640829 .351642 .00808 .01164 .00578 .00683 -.00045 .00410 .00076 Ca1a .1527 .1527 .1527 .145 .0020 Ca1b .16341 .16341 .16341 .855 .0020 Ca2 .09341 .62516 .35630 1.012 .00639 .0060 .0070 .0063 -.00211 -.00076 .00035 Ti1a .95176 .75 .25 .654 .00361 .0028 .0047 .0034 0 0 .00123 Ti1b .95176 .75 .25 .346 .00361 .0028 .0047 .0034 0 0 .00123 Fe1 .2398 .75 .75 .429 .023 .057 .0027 .0090 0 0 -.0019 Fe2 -.00609 .25 .25 .822 .00224 .0011 .0027 .0030 0 0 -.0015 Mn1a 0 0 0 .455 .00526 .0053 .0053 .0053 .00148 .00148 .00148 Mn1b 0 0 0 .545 .00526 .0053 .0053 .0053 .00148 .00148 .00148 O1 -.00554 .98128 .13705 .0077 .0091 .0054 .0085 .0034 .0002 -.0023 O2 .30975 .00359 .35981 .0081 .0117 .0095 .0032 -.0017 -.0015 .0017 O3 .28788 .63307 .04773 .0083 .0110 .0032 .0108 .0013 -.0016 -.0009 O4 .16372 .73780 .14561 .0094 .0088 .0077 .0118 -.0001 .0041 .0014 O5 .1644 .5814 .2126 .418 .0111 O5' .1801 .6031 .2288 .582 .0111 O6 .03252 .66386 .22564 .0086 .0075 .0097 .0086 .0027 .0028 .0007 O7 .1666 .4253 .2117 .52 .0076 O7' .1805 .4094 .2153 .48 .0076 F .75 .75 .75 .969 .0115 .0115 .0115 .0115 0 0 0