Ca2Ta2O7 Grey I E, Mumme W G, Ness T J, Roth R S, Smith K L Journal of Solid State Chemistry 174 (2003) 285-295 Structural relations between weberite and zirconolite polytypes - refinements of doped 3T and 4M Ca2Ta2O7 and 3T CaZrTi2O7 Sample: T = 295 K, 4M weberite-type structure _database_code_amcsd 0014036 12.761 7.358 24.565 90 100.17 90 C2 atom x y z occ Uiso Ca1 0 0 0 .0027 Ta1 0 .483 0 .0023 Ca11 .2565 .267 .0067 .958 .006 NdCa11 .2565 .267 .0067 .042 .006 Ta2 .1261 .753 .12174 .946 .0038 ZrTa2 .1261 .753 .12174 .054 .0038 Ca2 .1293 .269 .1287 .021 Ta21 .3776 .007 .12772 .974 .0050 ZrTa21 .3776 .007 .12772 .026 .0050 Ta22 .3801 .510 .12553 .976 .0048 ZrTa22 .3801 .510 .12553 .024 .0048 Ca3 .2585 .5071 .2472 .918 .006 NdCa3 .2585 .5071 .2472 .082 .006 Ta3 .2395 .017 .24980 .0064 Ca31 .0097 .255 .2549 .0021 Ca32 .0084 .745 .2504 .015 Ta4 .1283 .505 .37414 .958 .0046 ZrTa4 .1283 .505 .37414 .042 .0046 Ca4 .1278 .005 .3801 .876 .0086 NdCa4 .1278 .005 .3801 .124 .0086 Ta41 .3790 .256 .37435 .0044 Ta42 .3770 .754 .37134 .851 .0044 ZrTa42 .3770 .754 .37134 .149 .0044 Ca5 0 .512 .5 .024 Ta5 0 .011 .5 .0034 Ca51 .2483 .258 .4985 .924 .008 NdCa51 .2483 .258 .4985 .076 .008 O1 .640 .996 .4566 .013 O2 .415 .484 .2068 .008 O3 .392 .010 .0481 .010 O4 .137 .008 .4681 .011 O5 .366 .016 .2062 .009 O6 .125 .996 .2898 .012 O7 .736 .798 .3877 .018 O8 .171 .235 .2136 .013 O9 .332 .196 .2967 .011 O10 .086 .696 .0437 .018 O11 .431 .304 .4545 .008 O12 .590 .801 .0371 .006 O13 .526 .801 .3588 .013 O14 .855 .501 .3977 .016 O15 .731 .427 .1022 .017 O16 .823 .757 .1146 .013 O17 .827 .307 .2915 .008 O18 .731 .058 .1369 .008 O19 .934 .258 .1374 .012 O20 .734 .206 .3879 .013 O21 .435 .705 .4510 .019 O22 .898 .002 .3497 .016 O23 .672 .321 .2024 .008 O24 .121 .504 .2931 .010 O25 .838 .033 .0437 .015 O26 .525 .095 .1491 .012 O27 .525 .207 .3628 .013 O28 .524 .458 .1111 .013