PbNb2O6
Labbe P, Frey M, Raveau B, Monier J
Acta Crystallographica B33 (1977) 2201-2212
Structure cristalline de la phase ferroelectrique du niobate de plomb PbNb2O6.
Deplacements des atomes metalliques et interpretation de la surstructure
_cod_database_code 1001009
_database_code_amcsd 0009596
35.292 17.943 7.746 90 90 90 Bb2_1m
atom     x      y     z occ
Nb1  .1249  .4997   .25
Nb2  .1252 -.0005   .25
Nb3  .0353  .6100   .25
Nb4  .2149  .6106   .25
Nb5  .0338  .3940   .25
Nb6  .2160  .3949   .25
Nb7  .0716  .1792   .25
Nb8  .1778  .1865   .25
Nb9  .0698  .8219   .25
Nb10 .1804  .8212   .25
Pb1  .0385  .0235     0
Pb2  .0395  .0297    .5
Pb3  .2095  .0335     0
Pb4  .2128  .0182    .5
Pb5  .1274  .6999     0
Pb6  .1303  .6902    .5
Pb7  .1301  .3449    .5
Pb8  .1173  .3438     0
Pb9  .0017  .2482     0  .5
Pb10 .2477  .2486     0  .5
Pb11 .0010  .2497    .5  .5
Pb12 .2481  .2489    .5  .5
O1   .1128  .4837     0
O2   .3672 -.0095     0
O3   .1421 -.0071     0
O4   .3870  .4945     0
O5   .4607  .1001    .5
O6   .4751  .1039     0
O7   .2762  .0964    .5
O8   .2912  .1121     0
O9   .0410  .3837     0
O10  .0288  .4062    .5
O11  .2264  .3851     0
O12  .2038  .3734    .5
O13  .0736  .2064     0
O14  .0660  .1515    .5
O15  .1749  .1677     0
O16  .1854  .1777    .5
O17  .4276  .2978    .5
O18  .4269  .3122     0
O19  .3304  .3135    .5
O20  .3193  .2863     0
O21  .4113  .0708 .2174
O22  .3389  .0753 .2707
O23  .4463  .2128 .2089
O24  .3042  .2129 .2740
O25  .0139  .4963 .2193
O26  .2347  .4911 .2690
O27  .0172  .1299 .2336
O28  .2318  .1403 .2055
O29  .0856  .0702 .2312
O30  .1619  .0726 .2848
O31  .1268  .2127 .2805
O32   .377  .2742 .2426
O33  .4110  .4187 .2839
O34  .3401  .4255 .2050
O35  .4836  .3492 .2739
O36  .2703  .3430 .2745
O37  .0509  .2695 .2979
O38  .2000  .2816 .2504
O39  .0851  .4048 .2808
O40  .1612  .4113 .2207