Orlandiite
Demartin F, Gramaccioli C M, Pilati T
The Canadian Mineralogist 41 (2003) 1147-1153
The crystal structure of orlandiite, Pb3Cl4(SeO3).H2O, a complex case
of twinning and disorder
_database_code_amcsd 0005881
8.136 8.430 9.233 62.58 71.84 75.13 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)
Pb3      .5689   .6062  .7553  .75 .0384  .0106  .0730  .0149 -.0004 -.0021 -.0077
Pb'3     .5689   .1048  .7543  .25 .0549  .0441  .0829  .0173 -.0036 -.0180  .0007
Se(a)    .4904   .8685  .3860 .375 .0115  .0117  .0105  .0101 -.0008 -.0010 -.0037
Se(b)    .4926   .7532  .3850 .375 .0128  .0094  .0217  .0079 -.0028 -.0016 -.0065
Se'(a)   .5042   .6413  .6178 .125 .0253
Se'(b)   .5128   .7443  .6167 .125 .0218
Pb1     .11376 -.00862 .71741      .0238  .0220  .0242  .0243 -.0017 -.0074 -.0086
Pb2     .12075  .48200 .71678      .0247  .0237  .0260  .0249 -.0009 -.0078 -.0109
Cl1     .19243  .09558 .96161      .0251  .0240  .0274  .0215 -.0045 -.0035 -.0086
Cl2     .19225  .60008 .95409      .0222  .0161  .0258  .0187 -.0026  .0003 -.0072
Cl3    -.13721  .33192 .65464      .0237  .0240  .0212  .0202  .0010 -.0023 -.0076
Cl4     .13242  .16944 .34662      .0221  .0210  .0287  .0191 -.0081 -.0060 -.0087
Wat      .4992   .7555  .9967      .0668  .0350  .0533  .1313 -.0115  .0000 -.0633
O1a      .6710   .7415  .4332      .0362
O2a      .5742   .0638  .3343  .50 .0267
O2b      .5657   .5653  .3347  .50 .0118
O3a      .3685   .8144  .5799  .50 .0239
O3b      .3661   .6707  .5796  .50 .0281