Messelite
Fleck M, Kolitsch U
Zeitschrift fur Kristallographie 218 (2003) 553-567
Natural and synthetic compounds with krohnkite-type chains. An update
Locality: "Leithorizont M", Messel oil shale, near Darmstadt, Germany
_database_code_amcsd 0011103
5.480 5.759 6.569 90.18 102.62 108.45 P-1
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca   .33074  .59859  .23367     .00850 .00850 .00777 .00897 .00296  .00098  .00026
Fe        0       0       0 .89 .00831 .00634  .0077  .0096 .00189 -.00025  .00017
Mg        0       0       0 .11 .00831 .00634  .0077  .0096 .00189 -.00025  .00017
P    .64755  .24189  .23269     .00625  .0058  .0064  .0063 .00147  .00177  .00056
O1    .6162  -.0011  .32982      .0103  .0085  .0094  .0105  .0016   .0051   .0009
O2    .6962   .4536  .39793      .0097  .0083  .0117  .0097  .0033  -.0006  -.0003
O3    .3942   .2409  .06961      .0103  .0113  .0101  .0081  .0042   .0022  -.0007
O4    .8779   .3001  .11779      .0093  .0114  .0079  .0115  .0021   .0041   .0027
Ow    .9334   .1509  -.2958      .0111  .0090  .0133  .0100  .0027   .0015   .0013
H1     .063    .251   -.335       .031
H2     .832    .082   -.406       .037