Eosphorite
Diego Gatta G, Nenert G, Vignola P
American Mineralogist 98 (2013) 1297-1301
Coexisting hydroxyl groups and H2O molecules in minerals:
A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O
Note: T = 20 K
Locality: Chamachhu, Skarda district, Baltistan, Pakistan
_database_code_amcsd 0019910
6.9263 10.4356 13.5234 90 90 90 Cmca
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Mn      .25 .13423    .25 .9435  .0063  .0032  .0055  .0103      0  -.0015       0
Fe      .25 .13423    .25 .0565  .0063  .0032  .0055  .0103      0  -.0015       0
Al      .25    .25      0        .0064  .0033  .0091  .0066 -.0012   .0009  -.0028
P         0 .37739 .33377       .00496 .00327  .0061  .0056      0       0   .0008
O1        0 .26580 .25871       .00642 .00713  .0063  .0058      0       0  -.0007
O2        0 .00716 .21941       .00573 .00510  .0059  .0062      0       0  -.0011
O3        0 .25178 .04931       .00591 .00374  .0076  .0065      0       0   .0004
O4   .18076 .11057 .40962       .00629 .00515  .0069 .00687 .00042 -.00012 -.00024
O5   .31912 .13209 .60046       .00612 .00431  .0076 .00647 .00030 -.00048  .00134
H1   .23517 .02445 .42046  .990  .0192  .0213  .0139  .0225  .0046  -.0007   .0023
H2   .02866 .10127 .41045  .507  .0165  .0092  .0195  .0207 -.0022   .0004  -.0005
H3        0 .28409 .11668        .0235  .0181  .0349  .0176      0       0  -.0073