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: neutron diffraction
Locality: Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola
province, Italy
_database_code_amcsd 0020739
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   .37653 .37653 .37653      .00787  .0079  .0079  .0079  .0015  .0015  .0015
As2   .22919 .97788 .03858       .0073  .0081  .0071  .0068 -.0008 -.0002  .0003
As3   .39291 .64070 .35185       .0110  .0150  .0088  .0092  .0001  .0041  .0010
Ca1   .16224 .16224 .16224       .0118  .0118  .0118  .0118  .0022  .0022  .0022
Ca2   .09364 .62529 .35598       .0092  .0084  .0103  .0090 -.0021 -.0003  .0000
Ti1a  .95129    .75    .25 .385  .0073  .0044  .0126  .0049      0      0  .0026
Ti1b  .95129    .75    .25 .500  .0073  .0044  .0126  .0049      0      0  .0026
Fe1      .25    .75    .75 .594  .0236   .055  .0066  .0096      0      0      0
Fe2a  .00607    .25    .25 .462  .0065
Fe2b  .00607    .25    .25 .454  .0065
Mn1a       0      0      0 .240  .0099  .0099  .0099  .0099  .0012  .0012  .0012
Mn1b       0      0      0 .730  .0099  .0099  .0099  .0099  .0012  .0012  .0012
O1   -.00570 .98121 .13718       .0107  .0112  .0086  .0124  .0024 -.0005 -.0023
O2    .30994 .00363 .35999       .0108  .0137  .0115  .0072 -.0004 -.0015  .0014
O3    .28798 .63273 .04786       .0120  .0146  .0068  .0147  .0017 -.0013  .0003
O4    .16361 .73782 .14472       .0131  .0130  .0101  .0160  .0003  .0067  .0020
O5    .17414 .59523 .22296       .0385  .0338  .0488  .0328  .0318  .0177  .0298
O6    .03262 .66448 .22564       .0122  .0103  .0130  .0133  .0030  .0033  .0019
O7    .17329 .41758 .21302       .0200  .0233  .0257  .0110 -.0153  .0014 -.0062
F        .75    .75    .75       .0135  .0135  .0135  .0135      0      0      0