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: hgg, T = 750 C
_database_code_amcsd 0008639
Locality: from rhyodacite, Parana, Brazil
9.824 9.017 5.309 90 109.19 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 .6530 .2429 .7267 .020   .021   .022   .018   .000   .005   .000
FeM1 .2502 .6530 .2429 .2474 .020   .021   .022   .018   .000   .005   .000
MnM1 .2502 .6530 .2429 .0080 .020   .021   .022   .018   .000   .005   .000
CaM1 .2502 .6530 .2429 .0179 .020   .021   .022   .018   .000   .005   .000
MgM2 .2520 .0187 .2414 .2008 .033   .033   .038   .022   .005   .002   .001
FeM2 .2520 .0187 .2414 .5845 .033   .033   .038   .022   .005   .002   .001
MnM2 .2520 .0187 .2414 .0194 .033   .033   .038   .022   .005   .002   .001
CaM2 .2520 .0187 .2414 .1953 .033   .033   .038   .022   .005   .002   .001
SiA  .0439 .3396 .2681       .017   .016   .018   .017  -.002   .006  -.002
SiB  .5461 .8385 .2525       .016   .014   .016   .018  -.002   .005  -.001
O1A  .8696 .3380 .1587       .021   .012   .027   .021   .001   .003  -.002
O1B  .3724 .8393 .1453       .022   .019   .024   .023   .001   .006   .001
O2A  .1223 .4960 .3426       .029   .036   .019   .035  -.008   .016  -.003
O2B  .6256 .9913 .3597       .032   .031   .030   .036  -.012   .014  -.012
O3A  .1019 .2484 .5519       .038   .021   .058   .034   .006   .008   .026
O3B  .6034 .7273 .5162       .036   .022   .051   .036   .003   .010   .022