American Mineralogist Crystal Structure Database

5 matching records for this search.

Calzirtite
Download hom/calzirtite.pdf
Sinclair W, Eggleton R A, McLaughlin G M
Download am/vol71/AM71_815.pdf
American Mineralogist 71 (1986) 815-818
Structure refinement of calzirtite from Jacupiranga, Brazil
_database_code_amcsd 0001034
15.094 15.094 10.043 90 90 90 I4_1/acd
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zr1  .01264 .01264    .25  .5  .0140  .0140  .0073 -.0064  .0011 -.0011
Ti2  .16809 .16809    .25 .75  .0065  .0065  .0060  .0001 -.0006  .0006
Fe2  .16809 .16809    .25  .1  .0065  .0065  .0060  .0001 -.0006  .0006
Nb2  .16809 .16809    .25 .15  .0065  .0065  .0060  .0001 -.0006  .0006
Ca3  .33281 .33281    .25      .0069  .0069  .0074  .0001 -.0007  .0007
Zr4  .16152 .01780 .48578      .0047  .0041  .0051  .0002  .0010 -.0001
O1      .25  .2130   .125       .008   .014   .011      0      0 -.0030
O2      .25  .4303   .125       .008   .008   .006      0      0  .0000
O3    .2433  .0776  .3309       .017   .009   .010 -.0060  .0010  .0000
O4    .1135  .0827  .1236       .014   .011   .011 -.0020  .0000  .0000
O5    .0655  .0795  .6193       .017   .008   .007 -.0020 -.0010  .0000
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Calzirtite
Download hom/calzirtite.pdf
Rossell H J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=593
Acta Crystallographica B38 (1982) 593-595
Calzirtite - A fluorite-related superstructure
Locality: synthetic
_database_code_amcsd 0019376
15.2203 15.2203 10.1224 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z occ Biso
Ca    .3325  .5825   .125      .35
TiM1  .0120   .262   .125 .07  .35
ZrM1  .0120   .262   .125 .43  .35
TiM1  .1688  .4188   .125 .93  .35
ZrM2  .1688  .4188   .125 .07  .35
Zr   -.0178  .5884  .1104      .35
O1    .0784 -.0079 -.0445      .35
O2    .0651  .1694 -.0044      .35
O3    .1114  .3323  .0013      .35
O4      .25 -.0362      0      .35
O5      .25  .1831      0      .35
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Calzirtite
Download hom/calzirtite.pdf
Rastsvetaeva R K, Pushcharovskii D Y, Spiridonov E M, Gekimyants V M
 
Crystallography Reports 40 (1995) 746-748
Crystal structure of ordered calzirtite Ca2Zr5Ti2O16
Locality: Zelenets mine of the South Ural massif's Kusa titanium-
magnetite deposit, Russia
_database_code_amcsd 0019484
15.189 15.189 10.111 90 90 90 *I4_1/acd
0 -.25 .125
atom     x     y      z occ Biso
Ca   .6678 .0822   .375      .64
Zr1  .5134 .2366   .875  .5 1.50
Zr2  .8383 .2321  .3604     1.02
Ti   .3320 .0820   .375      .55
O1   .2435 .1719  .7054      .75
O2   .0654 .1707 -.0059      .77
O3   .6141 .1667  .0014      .96
O4     .25 .0373     .5      .78
O5     .25 .1806      0      .70
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Calzirtite
Download hom/calzirtite.pdf
Callegari A, Mazzi F, Ungaretti P
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 467-480
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy)
Note: crystal n.2
Locality: Rocca Castellaccio, Val Malenco, Sondrio, Italy
_database_code_amcsd 0019377
15.207 15.207 10.114 90 90 90 *I4_1/acd
0 -.25 .125
atom     x     y      z occ  Uiso
ZrM1 .0134 .2634   .125  .5 .0107
TiM2 .1679 .4179   .125     .0097
CaM3 .3321 .5821   .125     .0101
ZrM4 .1618 .2678  .3605     .0076
O1   .2878     0    .25      .012
O2   .5698     0    .25      .010
O3   .2432 .3278  .2053      .011
O4   .1138 .3324 -.0010      .013
O5   .0656 .3296  .4945      .010
Download AMC data (View Text File)
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Calzirtite
Download hom/calzirtite.pdf
Callegari A, Mazzi F, Ungaretti P
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1997 (1997) 467-480
The crystal structure of orthorhombic calzirtite from Val Malenco (Italy)
Note: crystal n.2
Locality: Rocca Castellaccio, Val Malenco, Sondrio, Italy
_database_code_amcsd 0019378
15.207 15.207 10.114 90 90 90 Pbca
atom       x      y      z  Uiso
ZrM1   .0137  .2628  .1255 .0092
TiM2a  .1713  .4210  .1269 .0066
TiM2c  .6645 -.0849  .6234 .0062
CaM3a  .3320  .5813  .1267 .0083
CaM3c  .8325  .0830  .6237 .0081
Zrm4a  .1633  .2676  .3635 .0060
ZrM4b -.0168 -.0871  .6127 .0061
ZrM4c  .6605  .7681  .8575 .0058
ZrM4d  .4817  .4105  .1086 .0061
O1a    .2874 -.0005  .2521  .014
O1b    .2495  .0374  .5005  .009
O2a    .5699 -.0014  .2498  .009
O2b    .2509  .3197  .5025  .009
O3a    .2442  .3277  .2086  .008
O3b   -.0783 -.0078  .4541  .010
O3c    .7432  .8274  .7026  .009
O3d    .4220  .4937 -.0448  .011
O4a    .1110  .3316  .0033  .011
O4b   -.0820  .8617  .2502  .009
O4c    .6161  .8346  .4935  .015
O4d    .4170  .3679  .7486  .012
O5a    .0672  .3297  .4957  .009
O5b   -.0812  .8156  .7418  .011
O5c    .5654  .8286 -.0073  .009
O5d    .4214  .3144  .2456  .009
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 5
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