Pigeonite
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
Physics and Chemistry of Minerals 29 (2002) 331-340
Non-convergent ordering and displacive phase transition in pigeonite:
in situ HT XRD study
Sample: hgi, T = 850 C
Locality: from rhyodacite, Parana, Brazil
_database_code_amcsd 0008640
9.840 9.021 5.3184 90 109.35 90 P2_1/c
atom     x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MgM1 .2499 .6526 .2463 .7108 .022   .023   .024   .019   .000   .005  -.003
FeM1 .2499 .6526 .2463 .2625 .022   .023   .024   .019   .000   .005  -.003
MnM1 .2499 .6526 .2463 .0085 .022   .023   .024   .019   .000   .005  -.003
CaM1 .2499 .6526 .2463 .0182 .022   .023   .024   .019   .000   .005  -.003
MgM2 .2514 .0187 .2458 .2137 .035   .036   .041   .024   .007   .003  -.002
FeM2 .2514 .0187 .2458 .5722 .035   .036   .041   .024   .007   .003  -.002
MnM2 .2514 .0187 .2458 .0189 .035   .036   .041   .024   .007   .003  -.002
CaM2 .2514 .0187 .2458 .1952 .035   .036   .041   .024   .007   .003  -.002
SiA  .0445 .3390 .2659       .018   .017   .019   .019  -.003   .007  -.004
SiB  .5451 .8392 .2565       .017   .014   .019   .018  -.002   .005   .001
O1A  .8697 .3378 .1564       .023   .016   .029   .023   .001   .005  -.005
O1B  .3719 .8400 .1482       .024   .017   .029   .024   .001   .005   .004
O2A  .1237 .4959 .3460       .029   .035   .016   .036  -.010   .012  -.005
O2B  .6241 .9921 .3559       .036   .038   .036   .039  -.015   .020  -.011
O3A  .1019 .2429 .5446       .039   .020   .061   .035   .005   .006   .028
O3B  .6029 .7352 .5284       .041   .027   .058   .040   .002   .012   .024