Mannardite
Shi N, Ma Z, Liu W
Acta Petrologica et Mineralogica 10 (1991) 233-245
Crystal structure determination of ankangite with one dimensional incommensurate modulation
Locality: Shiti barite deposit, Ankang County, Shaanxi, China
_database_code_amcsd 0018319
10.126 10.126 41.41 90 90 90 P4/m
atom     x    y     z  occ Uiso
Ba1      0    0     0      .005
Ba3      0    0  .143      .069
Ba23     0    0  .273      .096
Ba27     0    0  .416      .052
Ba8      0    0    .5      .050
Ba31    .5   .5  .048      .127
Ba10    .5   .5  .107      .091
Ba35    .5   .5  .191      .078
Ba38    .5   .5  .309      .058
Ba15    .5   .5  .464      .137
Ti1   .340 .854     0  .65 .022
V1    .340 .854     0  .35 .022
Ti2   .334 .853 .0677  .65 .012
V2    .334 .853 .0677  .35 .012
Ti3   .337 .845 .1392  .65 .002
V3    .337 .845 .1392  .35 .002
Ti4   .320 .856 .2114  .65 .016
V4    .320 .856 .2114  .35 .016
Ti5   .331 .850 .2835  .65 .026
V5    .331 .850 .2835  .35 .026
Ti6   .345 .836 .3535  .65 .004
V6    .345 .836 .3535  .35 .004
Ti7   .334 .844 .4265  .65 .204
V7    .334 .844 .4265  .35 .204
Ti8   .335 .853    .5  .65 .008
V8    .335 .853    .5  .35 .008
Ti9   .165 .653 .0356  .65 .010
V9    .165 .653 .0356  .35 .010
Ti10  .164 .650 .1019  .65 .056
V10   .164 .650 .1019  .35 .056
Ti11  .163 .649 .1737  .65 .012
V11   .163 .649 .1737  .35 .012
Ti12  .168 .652 .2463  .65 .004
V12   .168 .652 .2463  .35 .004
Ti13  .167 .658 .3123  .65 .356
V13   .167 .658 .3123  .35 .356
Ti14  .166 .647 .3870  .65 .015
V14   .166 .647 .3870  .35 .015
Ti15  .163 .649 .4614  .65 .014
V15   .163 .649 .4614  .35 .014
O1    .334 .030     0      .022
O2    .331 .038  .070      .010
O3    .339 .032  .138      .075
O4    .332 .038  .213      .073
O5    .332 .038  .282      .093
O6    .366 .040 .3536      .012
O7    .338 .035 .4234      .079
O8    .331 .039    .5      .050
O9    .346 .314     0      .074
O10   .343 .301  .070      .009
O11   .342 .298  .139      .117
O12   .342 .298  .214      .045
O13   .340 .304  .281      .161
O14   .350 .296  .356      .017
O15   .345 .300  .429      .031
O16   .347 .300    .5      .062
O17   .160 .201  .035      .016
O18   .161 .204  .104      .036
O19   .162 .203  .175      .081
O20   .158 .201  .249      .051
O21   .150 .201  .319      .299
O22   .155 .201  .389      .050
O23   .152 .202  .462      .009
O24   .167 .468  .035      .005
O25   .165 .461  .100      .016
O26   .168 .456  .177      .008
O27   .161 .465  .243      .162
O28   .170 .467  .312      .295
O29   .169 .457  .383      .008
O30   .170 .459  .459      .155