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Afghanite |
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Ballirano P, Bosi F |
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American Mineralogist 97 (2012) 630-640 |
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Thermal behavior of afghanite, an ABABACAC member of the cancrinite group |
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Locality: Case Collina, Latium, Italy |
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_database_code_amcsd 0018843 |
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12.7961 12.7961 21.4094 90 90 120 P31c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaM1 .5606 .7815 .3628 .5 .0358 .0470 .0265 .0413 .0239 .0096 .0028 |
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KM1 .5606 .7815 .3628 .5 .0358 .0470 .0265 .0413 .0239 .0096 .0028 |
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NaM2 .0050 .4982 .4905 .58 .0332 .0569 .0236 .0295 .0281 -.0120 -.0048 |
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CaM2 .0050 .4982 .4905 .42 .0332 .0569 .0236 .0295 .0281 -.0120 -.0048 |
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NaM3 .5191 .4883 .7407 .0394 .0295 .0335 .0352 .0008 .0003 .0023 |
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NaM4 .7774 .5553 .6268 .085 .0541 .0301 .0380 .0962 .0186 -.0061 -.0010 |
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CaM4 .7774 .5553 .6268 .085 .0541 .0301 .0380 .0962 .0186 -.0061 -.0010 |
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KM4 .7774 .5553 .6268 .25 .0541 .0301 .0380 .0962 .0186 -.0061 -.0010 |
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NaM4a .7910 .5768 .6178 .335 .0596 .0416 .1347 .0300 .0647 .0083 .0067 |
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KM4a .7910 .5768 .6178 .085 .0596 .0416 .1347 .0300 .0647 .0083 .0067 |
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Ca1 0 0 .5021 .0140 .0131 .0131 .0157 .0065 0 0 |
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Ca2 0 0 .7516 .0128 .0116 .0116 .0153 .0058 0 0 |
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Ca3 1/3 2/3 .6324 .0204 .0141 .0141 .0330 .0070 0 0 |
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Ca4 1/3 2/3 .8780 .0285 .0166 .0166 .0524 .0083 0 0 |
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Si1 .7476 .7469 .4955 .0075 .0057 .0071 .0094 .0030 .0001 -.0012 |
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Si2 .0766 .6618 .8695 .0079 .0093 .0073 .0067 .0040 .0001 .0000 |
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Si3 .7488 .7443 .7449 .0067 .0062 .0079 .0076 .0039 -.0006 -.0009 |
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Si4 .0768 .6615 .6218 .0068 .0090 .0064 .0055 .0043 .0008 .0002 |
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Al1 -.0014 .7409 .9958 .0078 .0072 .0076 .0065 .0021 .0008 .0011 |
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Al2 .5963 .6757 .8687 .0080 .0077 .0082 .0080 .0040 .0001 .0002 |
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Al3 .7382 .9958 .7453 .0073 .0074 .0074 .0059 .0029 .0006 .0003 |
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Al4 .5964 .6757 .6223 .0077 .0066 .0056 .0099 .0023 -.0002 .0001 |
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O1 -.0095 .6612 .6764 .0154 .0163 .0140 .0086 .0022 -.0009 -.0049 |
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O2 .6837 .6716 .6826 .0191 .0287 .0183 .0138 .0145 -.0159 -.0093 |
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O3 .0041 .6518 .8054 .0157 .0215 .0149 .0103 .0088 -.0031 .0001 |
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O4 .6663 .6635 .8028 .0207 .0236 .0123 .0230 .0065 .0109 .0011 |
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O5 .7688 .8783 .7464 .0149 .0172 .0091 .0207 .0082 .0003 -.0038 |
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O6 -.0005 .6650 .9277 .0167 .0212 .0142 .0098 .0052 .0031 -.0002 |
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O7 .6776 .6762 .4336 .0197 .0184 .0280 .0115 .0106 -.0084 -.0131 |
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O8 .0138 .6564 .5544 .0140 .0210 .0178 .0066 .0122 -.0034 -.0011 |
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O9 .6593 .6685 .5520 .0213 .0258 .0128 .0202 .0060 .0110 .0032 |
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O10 .8755 .7595 .5039 .0222 .0106 .0306 .0297 .0135 -.0017 -.0102 |
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O11 .7749 .8851 .4962 .0185 .0213 .0063 .0256 .0052 .0023 -.0011 |
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O12 .8819 .7636 .7518 .0182 .0125 .0224 .0253 .0128 -.0050 -.0043 |
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O13 .0912 .5438 .6271 .0232 .0260 .0141 .0367 .0154 .0012 .0013 |
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O14 .0881 .5423 .8776 .0211 .0290 .0110 .0289 .0141 .0019 .0014 |
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O15 .2131 .7730 .6273 .0184 .0116 .0117 .0291 .0038 -.0004 .0014 |
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O16 .2138 .7709 .8683 .0181 .0103 .0108 .0269 .0006 -.0011 .0028 |
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S1 2/3 1/3 .7450 .0421 .0425 .0425 .0414 .0213 0 0 |
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S2 1/3 2/3 .4651 .0285 .0310 .0310 .0234 .0155 0 0 |
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S3 1/3 2/3 .0322 .0694 .0878 .0878 .0324 .0439 0 0 |
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OS1a .4097 .7754 .2626 1/3 .0629 |
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OS1b .4461 .7585 .2192 1/3 .0835 |
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OS1c .4220 .6776 .2941 1/3 .0756 |
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OS1d .3742 .7769 .1983 1/3 .0589 |
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OS2a 1/3 2/3 .5303 .1571 .2253 .2253 .0206 .1127 0 0 |
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OS2b .2098 .5990 .4411 .0716 .0306 .0592 .1198 .0185 -.0220 -.0134 |
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OS3a .2320 .5780 .0714 1/3 .0769 |
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OS3b .2140 .6200 .0443 1/3 .0541 |
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OS3c .2779 .6387 .9771 1/3 .0984 |
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OS3d .2064 .5980 -.0039 1/3 .1390 |
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Cl1 0 0 .6261 .0676 .0946 .0946 .0134 .0473 0 0 |
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Cl2 0 0 .8763 .0660 .0918 .0918 .0141 .0459 0 0 |
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Cl3 .3000 .6436 .7532 1/3 .0712 .0963 .0721 .0245 .0265 .0188 -.0023 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Afghanite |
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Ballirano P, Bonaccorsi E, Maras A, Merlino S |
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European Journal of Mineralogy 9 (1997) 21-30 |
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Crystal structure of afghanite, the eight-layer member |
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of the cancrinite-group: evidence for long-range Si,Al ordering |
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_database_code_amcsd 0006636 |
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12.8013 12.8013 21.4119 90 90 120 P31c |
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atom x y z occ Uiso |
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Si1 .2530 .0000 .4950 .0049 |
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Al1 .7412 .0000 .9952 .0117 |
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Si2 .9234 .5849 .3687 .0091 |
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Al2 .0784 .4032 .8684 .0088 |
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Si3 .0056 .2570 .2445 .0091 |
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Al3 .0040 .7424 .7450 .0057 |
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Si4 .9232 .5851 .1217 .0075 |
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Al4 .0783 .4035 .6220 .0070 |
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O1 .342 .333 .6773 .0254 |
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O2 .669 .680 .1820 .0194 |
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O3 .348 .345 .8062 .0161 |
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O4 .663 .668 .3020 .0194 |
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O5 .122 .887 .7462 .0147 |
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O6 .336 .335 .4281 .0266 |
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O7 .674 .677 .9335 .0214 |
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O8 .3516 .3424 .0554 .0153 |
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O9 .658 .669 .5508 .0220 |
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O10 .121 .883 .0028 .0310 |
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O11 .117 .887 .4947 .0217 |
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O12 .118 .884 .2491 .0223 |
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O13 .4580 .5465 .6257 .0293 |
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O14 .4562 .5482 .8750 .0202 |
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O15 .2113 .7732 .6264 .0208 |
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O16 .2128 .7715 .8660 .0188 |
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Ca1 0 0 0 .0175 |
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Ca2 0 0 .2500 .0163 |
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Ca3 1/3 2/3 .6296 .90 .0131 |
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Ca3a 1/3 2/3 .660 .10 .0131 |
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Ca4 1/3 2/3 .8791 .90 .0147 |
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Ca4a 1/3 2/3 .853 .10 .0147 |
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Cl1 0 0 .1237 .0701 |
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Cl2 0 0 .3739 .0796 |
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Cl3 1/3 2/3 .7527 .90 .1157 |
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F .4018 .5995 .7452 .0334 .0500 |
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K1 .4432 .2235 .8651 .17 .0387 |
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Ca1 .4432 .2235 .8651 .06 .0387 |
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Na1 .4432 .2235 .8651 .27 .0387 |
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K1a .386 .199 .860 .17 .0387 |
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Ca1a .386 .199 .860 .06 .0387 |
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Na1a .386 .199 .860 .27 .0387 |
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K2 .5054 .5014 .9912 .305 .0377 |
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Ca2 .5054 .5014 .9912 .145 .0377 |
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Na2 .5054 .5014 .9912 .55 .0377 |
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K3 .5211 .4845 .7412 .015 .0399 |
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Ca3 .5211 .4845 .7412 .008 .0399 |
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Na3 .5211 .4845 .7412 .97 .0399 |
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K4 .423 .210 .6238 .0666 .0341 |
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Ca4 .423 .210 .6238 .0303 .0341 |
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Na4 .423 .210 .6238 .41 .0341 |
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K4a .456 .236 .6163 .06 .0341 |
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Ca4a .456 .236 .6163 .03 .0341 |
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Na4a .456 .236 .6163 .41 .0341 |
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S1 1/3 2/3 .2475 .0429 |
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S2 1/3 2/3 .4625 .0445 |
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S3 1/3 2/3 .0301 .0532 |
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OS1a .444 .744 .278 1/3 .0920 |
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OS1b .400 .619 .208 1/3 .1173 |
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OS1c .40 .64 .296 1/3 .1387 |
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OS1d .432 .762 .214 1/3 .1895 |
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OS2a 1/3 2/3 .5231 .1252 |
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OS2b .211 .608 .442 .0875 |
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OS3a .206 .587 .073 1/3 .1621 |
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OS3b .215 .608 .042 2/3 .1251 |
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OS3c .265 .635 .970 1/3 .1596 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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