Vaterite
Demichelis R, Raiteri P, Gale J D, Dovesi R
Crystal Growth & Design 13 (2013) 2247-2251
The multiple structures of vaterite
Locality: theoretical
_database_code_amcsd 0019865
12.353 7.102 25.733 90.46 99.78 90.24 C1
atom     x     y     z
Ca1  .4086 .7849 .4957
Ca2  .0761 .7231 .5019
Ca3  .1273 .7468 .6672
Ca4  .8743 .2739 .3311
Ca5  .8260 .7333 .6706
Ca6  .1829 .2561 .3337
Ca7  .8838 .7585 .8372
Ca8  .1272 .2382 .1656
Ca9  .9706 .2170 .6633
Ca10 .0231 .7858 .3353
Ca11 .1910 .7886 .8314
Ca12 .8136 .2349 .1644
Ca13 .0383 .2382 .8305
Ca14 .9553 .7648 .1698
Ca15 .1021 .2533 .9982
Ca16 .9057 .7227 .0042
Ca17 .7347 .7663 .5028
Ca18 .7528 .2166 .9972
C1   .1901 .0997 .7441
C2   .8093 .9083 .2550
C3   .0074 .5422 .7558
C4   .9964 .4597 .2452
C5   .7601 .3973 .5833
C6   .2326 .6118 .4163
C7   .8177 .1035 .7500
C8   .1829 .9003 .2501
C9   .9382 .9487 .5784
C10  .0536 .0511 .4212
C11  .7276 .9464 .9110
C12  .2776 .0400 .0888
C13  .0465 .8957 .9218
C14  .9647 .0973 .0788
C15  .6286 .8964 .5890
C16  .3638 .1132 .4113
C17  .0938 .5947 .0835
C18  .9113 .3935 .9164
O1   .7780 .4523 .5376
O2   .2219 .5739 .4649
O3   .0599 .9395 .8742
O4   .9403 .0566 .1244
O5   .8405 .0497 .7048
O6   .1610 .9353 .2969
O7   .7226 .8156 .5918
O8   .2747 .1929 .4196
O9   .0296 .5910 .8055
O10  .9847 .4055 .1960
O11  .9306 .1291 .5745
O12  .0627 .8707 .4230
O13  .5750 .9306 .5422
O14  .4346 .0546 .4499
O15  .9604 .8808 .6259
O16  .0376 .1282 .3750
O17  .5911 .9399 .6312
O18  .3789 .0939 .3626
O19  .8517 .4463 .8727
O20  .1634 .5437 .1237
O21  .9242 .8439 .5369
O22  .0605 .1461 .4644
O23  .7202 .8459 .8688
O24  .2838 .0935 .1378
O25  .1484 .0761 .6944
O26  .8547 .9539 .3028
O27  .8762 .0579 .7945
O28  .1154 .9382 .2075
O29  .7429 .8739 .9579
O30  .2657 .1586 .0510
O31  .7868 .6731 .7553
O32  .2213 .3072 .2490
O33  .8256 .4349 .6269
O34  .1634 .5557 .3761
O35  .1146 .9462 .9630
O36  .9075 .0393 .0350
O37  .6720 .2997 .5850
O38  .3174 .7110 .4102
O39  .0038 .3117 .9146
O40  .0033 .6755 .0896
O41  .9953 .3657 .7449
O42  .9895 .6374 .2544
O43  .9606 .7969 .9260
O44  .0500 .2009 .0779
O45  .9979 .6656 .7193
O46  .0132 .3423 .2832
O47  .7325 .2079 .7501
O48  .2761 .8245 .2467
O49  .8828 .4193 .9622
O50  .1097 .5684 .0349
O51  .1372 .0514 .7807
O52  .8498 .9601 .2145
O53  .7203 .1274 .9084
O54  .2853 .8624 .0793