Legrandite
Jinnouchi S, Yoshiasa A, Sugiyama K, Shimura R, Arima H, Momma H, Miyawaki R
Journal of Mineralogical and Petrological Sciences 111 (2016) 35-43
Crystal structure refinements of legrandite, adamite, and paradamite:
The complex structure and characteristic hydrogen bonding network of legrandite
Locality: Ojuela Mine, Mapimi, Durango, Mexico
_database_code_amcsd 0020671
12.8014 7.9390 10.2262 90 104.490 90 P2_1/c
atom      x      y      z   Uiso  U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Zn1  .40317 .04960 .38958 .01108  .01041 .01144 .01085  .00154 .00168  .00018
Zn2  .25262 .33093 .46221 .01031  .00980 .00910 .01202  .00048 .00273 -.00051
Zn3  .36183 .80584 .12768 .01254  .01353 .00998 .01260 -.00080 .00042  .00162
Zn4  .01007 .24144 .44052 .01292  .01046 .01517 .01273 -.00072 .00218 -.00056
As1  .14944 .05500 .21963 .00783  .00759 .00813 .00769 -.00022 .00175 -.00020
As2  .38527 .42177 .21403 .00762  .00778 .00753 .00783  .00000 .00251  .00033
O1   .26823  .9528  .2613  .0121   .0088  .0122  .0137   .0030  .0000   .0000
O2   .13880  .1603  .0732  .0116   .0132  .0134  .0091   .0033  .0046   .0051
O3   .13297  .1896  .3416  .0125   .0111  .0136  .0135  -.0017  .0040  -.0055
O4   .04883  .9129  .2019  .0136   .0139  .0138  .0138  -.0055  .0046  -.0015
O5   .47905  .9522  .2404  .0128   .0080  .0156  .0139   .0023  .0009  -.0036
O6   .35349  .3421  .0568  .0142   .0172  .0167  .0090  -.0088  .0038  -.0041
O7   .34567  .2897  .3198  .0121   .0134  .0105  .0143   .0005  .0073   .0017
O8   .32000  .6056  .2179  .0153   .0210  .0090  .0196   .0054  .0119   00042
O9    .0881  .7337  .4346  .0221   .0189  .0297  .0204   .0109  .0101   .0096
O10  .55428  .1626  .4850  .0121   .0110  .0108  .0150   .0003  .0043  -.0003
O11  .27318  .5763  .4694  .0122   .0154  .0118  .0099  -.0031  .0042   .0011
O12   .0793  .5315  .1403  .0236   .0197  .0234  .0306   00072  .0117   .0092
H91    .144    .68   .446   .033
H92    .070   .783   .365   .033
H101   .531   .231   .527   .018
H111   .287   .612   .403   .018
H121  .1432   .545   .158   .035
H122   .059   .481   .208   .035