Holtedahlite
Romming C, Raade G
Mineralogy and Petrology 40 (1989) 91-100
The crystal structure of natural and synthetic holtedahlite
Locality: synthetic
_database_code_amcsd 0014622
11.186 11.186 4.977 90 90 120 P31m
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1  .6705 .1461     0 .015  .0087  .0176  .0119  .0047  .0004 -.0044
Mg2  .8246 .1457 .5065 .008  .0073  .0051  .0080  .0027 -.0011 -.0007
P1       0     0 .7287 .006  .0048  .0048  .0081  .0024      0      0
P2   .6667 .3333 .4781 .006  .0051  .0051  .0051  .0025      0      0
P3   .6609 .6609 .0323 .005  .0042  .0042  .0050  .0019  .0002  .0001
O1   .1285 .1285 .6340 .013   .007   .007   .025   .004   .003   .003
O2   .7207 .2409 .3685 .011   .011   .009   .009   .007   .000   .000
O3   .7326 .7326 .2973 .010   .009   .009   .008   .005  -.005  -.005
O4   .8706 .2440 .8674 .009   .007   .009   .007   .002  -.001   .000
O5   .5280 .5280 .0981 .010   .006   .006   .015   .001   .000   .000
O6   .6667 .3333 .7893 .016   .019   .019   .004  .0095      0      0
Oh1  .3727 .3727 .6898 .009   .008   .008   .007   .002   .001   .001
Oh2  .2805 .2805 .1975 .013   .013   .013   .009   .008  -.001  -.001
OH3      0     0  .044 .036   .042   .042   .011   .021      0      0
H1    .438  .438  .632 .019
H2    .229  .229  .183 .019