Pigeonite
Merli M, Camara F
European Journal of Mineralogy 15 (2003) 903-911
Topological analysis of the electron density of the clinopyroxene
structure by the maximum entropy method: an exploratory study
Sample: Dien2
Note: c-cell parameter changed by personal communication with author, Dec 2003
Locality: synthetic
_database_code_amcsd 0007019
9.651 8.846 5.252 90 108.38 90 P2_1/c
atom      x      y      z occ U(1,1)  U(2,2)  U(3,3)  U(1,2)  U(1,3)  U(2,3)
MgM1 .25087 .65380 .22285     .00629  .00653  .00510  .00011  .00159  .00059
MgM2 .25460 .01964 .22660 .85 .01058  .01924  .00766  .00418  .00203  .00455
CaM2 .25841 .01087 .20226 .15 .01058  .01924  .00766  .00418  .00203  .00455
SiA  .04238 .34128 .28692     .00439  .00466  .00536 -.00038  .00218 -.00052
SiB  .55079 .83812 .23265     .00491  .00481  .00547 -.00092  .00206 -.00075
O1A  .86656 .33956 .17880     .00447  .00657  .00625 -.00012  .00095 -.00014
O1B  .37434 .83961 .12751     .00535  .00832  .00567 -.00047  .00234 -.00077
O2A  .12118 .50101 .32222     .00804  .00463  .00796 -.00132  .00253  .00072
O2B  .63168 .98528 .38165     .01038  .00754  .01399 -.00322  .00693 -.00454
O3A  .10512 .27501 .60186     .00514  .01205  .00830  .00057  .00219  .00593
O3B  .60461 .70081 .46414     .00557  .01254  .00884  .00102  .00263  .00384