American Mineralogist Crystal Structure Database

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Herderite
Download hom/herderite.pdf
Harlow G E, Hawthorne F C
American Mineralogist 93 (2008) 1545-1549
Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from
Ehrenfriedersdorf, Germany
Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany
Note: 20517
Note: Occupancies derived from X-ray diffraction analysis
_database_code_amcsd 0004660
9.7615 7.6680 4.7853 90 90.184 90 P2_1/a
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   .33054 .11215 .99672      .00938 .00899 .00969 .00946 -.00064 .00065 -.00093
Be   .33905  .4143  .5364       .0090  .0078  .0099  .0093   .0003  .0002   .0009
P    .08141 .27112 .47175      .00671 .00598 .00669 .00747 -.00018 .00013  .00001
O1   .03997 .39849  .2455      .00957  .0094  .0089  .0104   .0006 -.0007   .0024
O2   .45738 .28281 .65139      .00917  .0071  .0104  .0101   .0020  .0017   .0015
O3   .19302 .34533 .67079      .00936  .0065  .0120  .0096  -.0022  .0006  -.0010
O4   .14412 .10715  .3332      .00978  .0113  .0069  .0112   .0011  .0030  -.0003
FO5  .33181 .41132 .20637 .515  .0119  .0125  .0138  .0094   .0012 -.0013  -.0007
OHO5 .33181 .41132 .20637 .485  .0119  .0125  .0138  .0094   .0012 -.0013  -.0007
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