|
Calzirtite |
|
Sinclair W, Eggleton R A, McLaughlin G M |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Calzirtite |
|
Rossell H J |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Calzirtite |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Calzirtite |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Calzirtite |
|
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: