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: hgd, T = 650 C
Locality: from rhyodacite, Parana, Brazil
_database_code_amcsd 0008638
9.801 9.008 5.296 90 109.01 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 .2502 .6532 .2397 .7529 .018   .019   .019   .016   .000   .003   .000
FeM1 .2502 .6532 .2397 .2222 .018   .019   .019   .016   .000   .003   .000
MnM1 .2502 .6532 .2397 .0072 .018   .019   .019   .016   .000   .003   .000
CaM1 .2502 .6532 .2397 .0179 .018   .019   .019   .016   .000   .003   .000
MgM2 .2528 .0188 .2382 .1699 .029   .029   .034   .020   .003   .002   .002
FeM2 .2528 .0188 .2382 .6148 .029   .029   .034   .020   .003   .002   .002
MnM2 .2528 .0188 .2382 .0202 .029   .029   .034   .020   .003   .002   .002
CaM2 .2528 .0188 .2382 .1951 .029   .029   .034   .020   .003   .002   .002
SiA  .0435 .3398 .2703       .015   .014   .016   .016  -.001   .006  -.002
SiB  .5470 .8381 .2480       .014   .013   .015   .016  -.002   .005  -.001
O1A  .8691 .3381 .1609       .019   .014   .024   .019   .001   .005   .001
O1B  .3725 .8384 .1418       .020   .014   .023   .021   .001   .004  -.001
O2A  .1222 .4968 .3397       .025   .030   .017   .032  -.008   .014  -.003
O2B  .6262 .9905 .3632       .029   .030   .026   .032  -.011   .014  -.010
O3A  .1024 .2516 .5583       .035   .018   .052   .032   .003   .006   .023
O3B  .6031 .7222 .5045       .031   .021   .043   .029   .004   .009   .019