|
Scapolite |
| |
Levien L, Papike J J |
 |
American Mineralogist 61 (1976) 864-877 |
|
Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group |
|
disorder, and thermal expansion |
|
before heating |
|
_database_code_amcsd 0000527 |
|
12.069 12.069 7.581 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .6136 .5361 .7641 .625 .00328 .00283 .0105 .00167 -.00020 .00000 |
|
Ca .6136 .5361 .7641 .375 .00328 .00283 .0105 .00167 -.00020 .00000 |
|
Si1 .5892 .6592 .2469 .00077 .00079 .0035 -.00005 -.00012 -.00012 |
|
Al2 .9097 .1659 .0492 .00095 .00119 .0030 .00008 .00024 .00011 |
|
Si3 .6626 .0854 .9619 .00091 .00112 .0027 .00001 -.00013 .00000 |
|
C .2600 .2300 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
Cl .75 .75 .75 .5 .0066 .0066 .0170 0 0 0 |
|
O1 .7084 .6016 .2523 .0010 .0023 .0071 .0002 .0002 .0001 |
|
O2 .9430 .1268 .2626 .0027 .0019 .0032 .0009 .0005 -.0003 |
|
O3 .6000 .1906 .0447 .0025 .0016 .0069 .0007 .0002 -.0007 |
|
O4 .7949 .0964 .9681 .0010 .0029 .0069 -.0004 -.0005 -.0000 |
|
O5 .5202 .6179 .0774 .0024 .0018 .0079 .0002 -.0028 -.0009 |
|
O6 .6216 .9783 .0775 .0015 .0018 .0071 -.0001 -.0007 .0013 |
|
O7 .27 .12 .25 .125 .0080 .0080 .0160 0 0 -.0001 |
|
O8 .36 .28 .24 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
O9 .17 .28 .24 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Levien L, Papike J J |
|
American Mineralogist 61 (1976) 864-877 |
|
Scapolite crystal chemistry: Aluminum-silicon distributions, carbonate group |
|
disorder, and thermal expansion |
|
after heating |
|
_database_code_amcsd 0000528 |
|
12.082 12.082 7.576 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .6127 .5358 .7634 .625 .00321 .00303 .0121 .00164 -.0003 .0001 |
|
Ca .6127 .5358 .7634 .375 .00321 .00303 .0121 .00164 -.0003 .0001 |
|
Si1 .5891 .6595 .2472 .00087 .00091 .00400 -.00005 -.00005 .00001 |
|
Al2 .9097 .1662 .0487 .00101 .00119 .00340 -.00002 .00034 .00021 |
|
Si3 .6629 .0857 .9613 .00101 .00131 .00300 -.00005 -.00013 -.00018 |
|
C .2600 .2300 .2400 .125 .008 .008 .016 .0000 .0000 -.0001 |
|
Cl .75 .75 .75 .5 .0095 .0095 .0170 0 0 0 |
|
O1 .7080 .6011 .2525 .0013 .0020 .0083 .0004 -.0008 -.0002 |
|
O2 .9424 .1277 .2617 .0030 .0021 .0038 .0010 .0005 -.0003 |
|
O3 .6005 .1915 .0439 .0027 .0018 .0072 .0006 -.0001 -.0007 |
|
O4 .7953 .0974 .9685 .0013 .0033 .0070 -.0007 -.0004 .0002 |
|
O5 .5198 .6184 .0767 .0027 .0020 .0085 .0001 -.0019 -.0014 |
|
O6 .6216 .9788 .0766 .0020 .0021 .0084 -.0004 -.0002 .0024 |
|
O7 .2700 .1200 .25 .125 .0080 .0080 .0160 0 0 -.0001 |
|
O8 .3600 .2800 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
O9 .1700 .2800 .2400 .125 .0080 .0080 .0160 .0000 .0000 -.0001 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Peterson R C, Donnay G, Le Page Y |
|
The Canadian Mineralogist 17 (1979) 53-61 |
|
Sulfate disorder in scapolite |
|
_database_code_amcsd 0005159 |
|
12.158 12.158 7.573 90 90 90 I4/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .35783 .28298 .5 .73 .0124 .0162 .0351 .0039 0 0 |
|
Na .35783 .28298 .5 .23 .0124 .0162 .0351 .0039 0 0 |
|
Si .33916 .40831 0 .59 .0049 .0062 .0096 -.0017 0 0 |
|
Al .66023 .91311 .79306 .41 .0078 .0077 .0066 -.0012 .0001 .0007 |
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O1 .45805 .3481 0 .0092 .0161 .0226 .0011 0 0 |
|
O2 .6867 .87309 0 .0204 .0131 .0105 .0049 0 0 |
|
O3 .34942 .94961 .7928 .0195 .0169 .0178 -.0001 -.0003 -.0045 |
|
O5 .26668 .36560 .8261 .0022 .0152 .0308 .0046 -.0165 -.0040 |
|
O7 .507 .385 .5 .16 .0020 .0035 .0060 -.0197 0 0 |
|
O8 .602 .533 .5 .16 .0040 .0160 .0060 -.0140 0 0 |
|
O9 .415 .535 .5 .16 .0070 .0080 .0012 .0050 0 0 |
|
O10 .5996 .5177 .606 .04 .0320 .0360 .0430 -.0020 -.0170 -.0040 |
|
C .4925 .5130 .5 .17 |
|
S .5 .5 .5 .29 .0214 .0214 .0194 0 0 0 |
|
Cl .5 .5 .5 .03 .0214 .0214 .0194 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy |
|
and Rietveld structure-refinement |
|
Sample: PAM-4 |
|
_database_code_amcsd 0005572 |
|
12.0415 12.0415 7.5809 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3688 .2903 .5 .78 3.1 |
|
KM .3688 .2903 .5 .01 3.1 |
|
CaM .3688 .2903 .5 .21 3.1 |
|
SiT1 .3394 .4097 0 1.1 |
|
SiT2 .6616 .9113 .7941 .54 1.87 |
|
AlT2 .6616 .9113 .7941 .46 1.87 |
|
SA .5 .5 .5 .03 6.1 |
|
ClA .5 .5 .5 .84 6.1 |
|
O1 .4572 .3520 0 1.6 |
|
O2 .6914 .8780 0 1.7 |
|
O3 .3497 .9490 .7831 1.8 |
|
O4 .2725 .3708 .8241 2.0 |
|
O10 .600 .518 .606 .03 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: PAM-22 |
|
_database_code_amcsd 0005573 |
|
12.0416 12.0416 7.5810 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5404 .6191 .752 .73 1.2 |
|
KM .5404 .6191 .752 .04 1.2 |
|
CaM .5404 .6191 .752 .23 1.2 |
|
SiT1 .6598 .5899 .250 1.2 |
|
SiT2 .165 .912 .044 .54 1.6 |
|
AlT2 .165 .912 .044 .46 1.6 |
|
SiT3 .089 .664 .957 .54 2.1 |
|
AlT3 .089 .664 .957 .46 2.1 |
|
ClA .25 .25 .25 .82 6.6 |
|
SA .25 .25 .25 .18 6.6 |
|
O1 .6017 .7072 .255 1.8 |
|
O2 .1280 .9417 .249 1.9 |
|
O3 .199 .597 .030 2.0 |
|
O4 .102 .802 .963 1.7 |
|
O5 .621 .525 .071 1.7 |
|
O6 .980 .620 .076 2.6 |
|
O10 .268 .350 .356 .18 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: TANZ |
|
_database_code_amcsd 0005574 |
|
12.0642 12.0642 7.5796 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5397 .6183 .741 .66 4.0 |
|
KM .5397 .6183 .741 .06 4.0 |
|
CaM .5397 .6183 .741 .28 4.0 |
|
SiT1 .6598 .5904 .248 1.83 |
|
SiT2 .164 .913 .040 .52 1.9 |
|
AlT2 .164 .913 .040 .48 1.9 |
|
SiT3 .088 .665 .955 .52 1.7 |
|
AlT3 .088 .665 .955 .48 1.7 |
|
ClA .25 .25 .25 .70 6.4 |
|
SA .25 .25 .25 .10 6.4 |
|
CA .25 .25 .25 .12 6.4 |
|
O1 .6023 .7062 .254 2.0 |
|
O2 .1264 .943 .255 2.6 |
|
O3 .194 .607 .039 2.2 |
|
O4 .097 .797 .965 2.1 |
|
O5 .623 .523 .083 2.0 |
|
O6 .977 .624 .069 3.4 |
|
O7 .126 .267 .250 .12 3.5 |
|
O8 .290 .346 .250 .12 3.5 |
|
O9 .276 .164 .250 .12 3.5 |
|
O10 .268 .350 .356 .10 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: PAM-5 |
|
_database_code_amcsd 0005575 |
|
12.0739 12.0739 7.5806 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5387 .6163 .745 .60 3.5 |
|
KM .5387 .6163 .745 .05 3.5 |
|
CaM .5387 .6163 .745 .33 3.5 |
|
SiT1 .6605 .5897 .250 1.85 |
|
SiT2 .164 .912 .043 .51 1.7 |
|
AlT2 .164 .912 .043 .49 1.7 |
|
SiT3 .089 .663 .956 .51 1.8 |
|
AlT3 .089 .663 .956 .49 1.8 |
|
ClA .25 .25 .25 .58 7.0 |
|
SA .25 .25 .25 .13 7.0 |
|
O1 .6045 .7067 .249 1.8 |
|
O2 .1275 .941 .257 2.4 |
|
O3 .195 .603 .041 2.3 |
|
O4 .097 .797 .964 2.0 |
|
O5 .620 .523 .079 1.3 |
|
O6 .978 .623 .070 3.1 |
|
O10 .268 .350 .356 .13 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: MAD |
|
_database_code_amcsd 0005576 |
|
12.0957 12.0957 7.5730 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5353 .6112 .745 .50 2.3 |
|
KM .5353 .6112 .745 .02 2.3 |
|
CaM .5353 .6112 .745 .46 2.3 |
|
SiT1 .6598 .5887 .250 1.2 |
|
SiT2 .164 .911 .040 .47 1.9 |
|
AlT2 .164 .911 .040 .53 1.9 |
|
SiT3 .092 .663 .954 .47 1.7 |
|
AlT3 .092 .663 .954 .53 1.7 |
|
ClA .25 .25 .25 .47 4.5 |
|
SA .25 .25 .25 .09 4.5 |
|
CA .25 .25 .25 .24 4.5 |
|
O1 .6023 .7058 .248 1.9 |
|
O2 .1235 .9388 .240 2.1 |
|
O3 .206 .601 .036 1.9 |
|
O4 .101 .808 .956 2.7 |
|
O5 .624 .523 .070 2.1 |
|
O6 .978 .617 .078 2.0 |
|
O7 .126 .267 .250 .24 3.5 |
|
O8 .290 .346 .250 .24 3.5 |
|
O9 .276 .164 .250 .24 3.5 |
|
O10 .268 .350 .356 .09 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sherriff B L, Sokolova E V, Kabalov Y K, Teertstra D K, |
|
Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 36 (1998) 1267-1283 |
|
Intermediate scapolite: 29Si MAS and 26Al SATRAS NMR spectroscopy and Rietveld |
|
structure-refinement |
|
Sample: MIN |
|
_database_code_amcsd 0005577 |
|
12.1224 12.1224 7.5110 90 90 90 *P4_2/n |
|
-.25 -.25 -.25 |
|
atom x y z occ Biso |
|
NaM .5357 .6111 .745 .38 2.38 |
|
KM .5357 .6111 .745 .04 2.38 |
|
CaM .5357 .6111 .745 .56 2.38 |
|
SiT1 .6601 .5892 .249 1.42 |
|
SiT2 .164 .910 .046 .43 2.03 |
|
AlT2 .164 .910 .046 .57 2.03 |
|
SiT3 .090 .664 .959 .43 1.0 |
|
AlT3 .090 .664 .959 .57 1.0 |
|
ClA .25 .25 .25 .28 3.2 |
|
SA .25 .25 .25 .57 3.2 |
|
CA .25 .25 .25 .15 3.2 |
|
O1 .6009 .7068 .250 2.1 |
|
O2 .1246 .9379 .246 1.1 |
|
O3 .207 .599 .044 1.5 |
|
O4 .105 .808 .956 2.3 |
|
O5 .624 .523 .066 2.5 |
|
O6 .982 .617 .080 1.1 |
|
O7 .126 .267 .250 .15 3.5 |
|
O8 .290 .346 .250 .15 3.5 |
|
O9 .276 .164 .250 .15 3.5 |
|
O10 .268 .350 .356 .57 3.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S1 |
|
_database_code_amcsd 0006214 |
|
12.0570 12.0570 7.5644 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .37137 .29414 0 .05 .0435 |
|
Na .37137 .29414 0 .88 .0435 |
|
K .37137 .29414 0 .07 .0435 |
|
Al2 .16232 .41546 .20677 .39 .0101 |
|
Si1 .16184 .08892 0 .0097 |
|
Si2 .16232 .41546 .20677 .61 .0101 |
|
O1 .0434 .1485 0 .0174 |
|
O2 .1938 .3815 0 .0179 |
|
O3 .44780 .15019 .2164 .0210 |
|
O4 .27067 .37263 .6732 .0202 |
|
Cl 0 0 .5 .98 .0522 |
|
C 0 0 .5 .01 .0522 |
|
O12 0 0 .5 .01 .0522 |
|
O13 0 0 .5 .01 .0522 |
|
O14 0 0 .5 .01 .0522 |
|
S 0 0 .5 .01 .0522 |
|
O15 0 0 .5 .01 .0522 |
|
O16 0 0 .5 .01 .0522 |
|
O17 0 0 .5 .01 .0522 |
|
O18 0 0 .5 .01 .0522 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S2 |
|
_database_code_amcsd 0006215 |
|
12.0541 12.0541 7.5682 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .37024 .29295 0 .07 .0425 |
|
Na .37024 .29295 0 .87 .0425 |
|
K .37024 .29295 0 .06 .0425 |
|
Al2 .16238 .41521 .20670 .40 .0099 |
|
Si1 .16174 .08930 0 .0094 |
|
Si2 .16238 .41521 .20670 .60 .0099 |
|
O1 .0431 .1487 0 .0173 |
|
O2 .1938 .3810 0 .0177 |
|
O3 .44778 .15030 .2160 .0209 |
|
O4 .27067 .37220 .6732 .0202 |
|
Cl 0 0 .5 .96 .0510 |
|
C 0 0 .5 .03 .0510 |
|
O12 0 0 .5 .03 .0510 |
|
O13 0 0 .5 .03 .0510 |
|
O14 0 0 .5 .03 .0510 |
|
S 0 0 .5 .01 .0510 |
|
O15 0 0 .5 .01 .0510 |
|
O16 0 0 .5 .01 .0510 |
|
O17 0 0 .5 .01 .0510 |
|
O18 0 0 .5 .01 .0510 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S3 |
|
_database_code_amcsd 0006216 |
|
12.0566 12.0566 7.5696 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .37031 .29285 0 .09 .0421 |
|
Na .37031 .29285 0 .86 .0421 |
|
K .37031 .29285 0 .06 .0421 |
|
Al2 .16242 .41527 .20671 .41 .0100 |
|
Si1 .16173 .08929 0 .0094 |
|
Si2 .16242 .41527 .20671 .59 .0100 |
|
O1 .0432 .1486 0 .0174 |
|
O2 .1940 .3812 0 .0174 |
|
O3 .44773 .15033 .2161 .0209 |
|
O4 .27075 .37224 .6732 .0200 |
|
Cl 0 0 .5 .95 .0513 |
|
C 0 0 .5 .03 .0513 |
|
O12 0 0 .5 .03 .0513 |
|
O13 0 0 .5 .03 .0513 |
|
O14 0 0 .5 .03 .0513 |
|
S 0 0 .5 .02 .0513 |
|
O15 0 0 .5 .02 .0513 |
|
O16 0 0 .5 .02 .0513 |
|
O17 0 0 .5 .02 .0513 |
|
O18 0 0 .5 .02 .0513 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S4 |
|
_database_code_amcsd 0006217 |
|
12.0538 12.0538 7.5714 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .36984 .29218 0 .08 .0412 |
|
Na .36984 .29218 0 .86 .0412 |
|
K .36984 .29218 0 .06 .0412 |
|
Al2 .16243 .41517 .20670 .40 .0101 |
|
Si1 .16166 .08946 0 .0096 |
|
Si2 .16243 .41517 .20670 .60 .0101 |
|
O1 .0429 .1486 0 .0172 |
|
O2 .1941 .3810 0 .0175 |
|
O3 .44767 .15050 .2158 .0205 |
|
O4 .27080 .37199 .6731 .0198 |
|
Cl 0 0 .5 .94 .0507 |
|
C 0 0 .5 .05 .0507 |
|
O12 0 0 .5 .05 .0507 |
|
O13 0 0 .5 .05 .0507 |
|
O14 0 0 .5 .05 .0507 |
|
S 0 0 .5 .01 .0507 |
|
O15 0 0 .5 .01 .0507 |
|
O16 0 0 .5 .01 .0507 |
|
O17 0 0 .5 .01 .0507 |
|
O18 0 0 .5 .01 .0507 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S5 |
|
_database_code_amcsd 0006218 |
|
12.0471 12.0471 7.5793 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .36755 .28966 0 .15 .0372 |
|
Na .36755 .28966 0 .82 .0372 |
|
K .36755 .28966 0 .03 .0372 |
|
Al2 .16253 .41466 .20665 .44 .0099 |
|
Si1 .16136 .09020 0 .0092 |
|
Si2 .16253 .41466 .20665 .57 .0099 |
|
O1 .0423 .1489 0 .0163 |
|
O2 .1942 .3799 0 .0175 |
|
O3 .4477 .1511 .2152 .0202 |
|
O4 .2710 .3709 .6729 .0196 |
|
Cl 0 0 .5 .89 .0502 |
|
C 0 0 .5 .08 .0502 |
|
O12 0 0 .5 .08 .0502 |
|
O13 0 0 .5 .08 .0502 |
|
O14 0 0 .5 .08 .0502 |
|
S 0 0 .5 .03 .0502 |
|
O15 0 0 .5 .03 .0502 |
|
O16 0 0 .5 .03 .0502 |
|
O17 0 0 .5 .03 .0502 |
|
O18 0 0 .5 .03 .0502 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S6 |
|
_database_code_amcsd 0006219 |
|
12.0450 12.0450 7.5826 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .36609 .28795 0 .21 .0345 |
|
Na .36609 .28795 0 .78 .0345 |
|
K .36609 .28795 0 .01 .0345 |
|
Al2 .16255 .41434 .2066 .46 .0100 |
|
Si1 .16118 .09067 0 .0091 |
|
Si2 .16255 .41434 .2066 .55 .0100 |
|
O1 .0419 .1488 0 .0163 |
|
O2 .1942 .3788 0 .0178 |
|
O3 .4478 .1514 .2143 .0201 |
|
O4 .2712 .3702 .6729 .0188 |
|
O7 .107 .023 .5 .018 |
|
O8 .019 .093 .5 .03 |
|
O10 .015 -.102 .59 .009 |
|
Cl 0 0 .5 .85 .0502 |
|
C 0 0 .5 .13 .0502 |
|
O12 0 0 .5 .13 .0502 |
|
O13 0 0 .5 .13 .0502 |
|
O14 0 0 .5 .13 .0502 |
|
S 0 0 .5 .03 .0502 |
|
O15 0 0 .5 .03 .0502 |
|
O16 0 0 .5 .03 .0502 |
|
O17 0 0 .5 .03 .0502 |
|
O18 0 0 .5 .03 .0502 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Tanzania |
|
Note: S7 |
|
_database_code_amcsd 0006220 |
|
12.0720 12.0720 7.5854 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .11562 .03767 .7388 .67 .0329 |
|
Ca .11562 .03767 .7388 .27 .0329 |
|
K .11562 .03767 .7388 .07 .0329 |
|
Al1 .91042 .16594 .54770 .80 .0090 |
|
Si1 .58886 .65980 .74756 .0081 |
|
Si2 .91042 .16594 .54770 .20 .0090 |
|
Si3 .66347 .08589 .46056 .86 .0086 |
|
Al2 .66347 .08589 .46056 .14 .0086 |
|
O1 .7080 .6016 .7521 .0143 |
|
O2 .9433 .1286 .7597 .0159 |
|
O3 .5999 .1921 .5412 .0184 |
|
O4 .7971 .0975 .4681 .0183 |
|
O5 .6193 .9794 .9218 .0179 |
|
O6 .5215 .6218 .9220 .0167 |
|
Cl .25 .25 .75 .76 .0550 |
|
C .25 .25 .75 .17 .0550 |
|
O12 .25 .25 .75 .17 .0550 |
|
O13 .25 .25 .75 .17 .0550 |
|
O14 .25 .25 .75 .17 .0550 |
|
S .25 .25 .75 .07 .0550 |
|
O15 .25 .25 .75 .07 .0550 |
|
O16 .25 .25 .75 .07 .0550 |
|
O17 .25 .25 .75 .07 .0550 |
|
O18 .25 .25 .75 .07 .0550 |
|
O7 .356 .265 .742 .036 |
|
O10 .358 .272 .805 .000 |
|
O11 .355 .267 .669 .008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Madagascar |
|
Note: S8 |
|
_database_code_amcsd 0006221 |
|
12.0753 12.0753 7.5864 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .11510 .03730 .73735 .64 .0311 |
|
Ca .11510 .03730 .73735 .29 .0311 |
|
K .11510 .03730 .73735 .07 .0311 |
|
Al1 .58894 .65975 .74730 .01 .0085 |
|
Si1 .58894 .65975 .74730 .99 .0085 |
|
Si2 .91015 .16606 .54828 .16 .0093 |
|
Al2 .91015 .16606 .54828 .84 .0093 |
|
Si3 .66330 .08574 .46107 .90 .0091 |
|
Al3 .66330 .08574 .46107 .10 .0091 |
|
O1 .7080 .6016 .7523 .0147 |
|
O2 .9433 .1280 .7610 .0157 |
|
O3 .6000 .1915 .5422 .0184 |
|
O4 .7963 .0972 .4685 .0184 |
|
O5 .6190 .9795 .9218 .0182 |
|
O6 .5216 .6218 .9224 .0170 |
|
Cl .25 .25 .75 .73 .0547 |
|
C .283 .265 .75 .18 -.14 |
|
O12 .283 .265 .75 .18 -.14 |
|
O13 .283 .265 .75 .18 -.14 |
|
O14 .283 .265 .75 .18 -.14 |
|
S .25 .25 .75 .09 .0547 |
|
O15 .25 .25 .75 .09 .0547 |
|
O16 .25 .25 .75 .09 .0547 |
|
O17 .25 .25 .75 .09 .0547 |
|
O18 .25 .25 .75 .09 .0547 |
|
O7 .393 .258 .73 .5 |
|
O8 .233 .364 .76 -.02 |
|
O9 .22 .172 .75 -.09 |
|
O10 .357 .271 .822 .028 |
|
O11 .352 .270 .657 .026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pamir, Tajikistan |
|
Note: S9 |
|
_database_code_amcsd 0006222 |
|
12.0793 12.0793 7.5842 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .11425 .03687 .73840 .63 .0299 |
|
Ca .11425 .03687 .73840 .32 .0299 |
|
K .11425 .03687 .73840 .05 .0299 |
|
Al1 .58893 .65954 .74760 .01 .0081 |
|
Si1 .58893 .65954 .74760 .99 .0081 |
|
Si2 .91002 .16575 .54782 .17 .0090 |
|
Al2 .91002 .16575 .54782 .83 .0090 |
|
Si3 .66315 .08604 .46062 .88 .0088 |
|
Al3 .66315 .08604 .46062 .12 .0088 |
|
O1 .7083 .6013 .7521 .0141 |
|
O2 .9422 .1269 .7602 .0154 |
|
O3 .6002 .1921 .5428 .0175 |
|
O4 .7963 .0972 .4671 .0173 |
|
O5 .6187 .9799 .9213 .0174 |
|
O6 .5216 .6216 .9227 .0163 |
|
Cl .25 .25 .75 .63 .0471 |
|
C .267 .252 .744 .26 .31 |
|
O12 .267 .252 .744 .26 .31 |
|
O13 .267 .252 .744 .26 .31 |
|
O14 .267 .252 .744 .26 .31 |
|
S .25 .25 .75 .11 .0471 |
|
O15 .25 .25 .75 .11 .0471 |
|
O16 .25 .25 .75 .11 .0471 |
|
O17 .25 .25 .75 .11 .0471 |
|
O18 .25 .25 .75 .11 .0471 |
|
O7 .374 .261 .73 .025 |
|
O8 .210 .343 .75 .06 |
|
O9 .222 .158 .76 .074 |
|
O10 .357 .268 .820 .036 |
|
O11 .348 .265 .648 .013 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Monte Somma, Italy |
|
Note: S10 |
|
_database_code_amcsd 0006223 |
|
12.0915 12.0915 7.5841 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .11230 .03559 .73645 .54 .0271 |
|
Ca .11230 .03559 .73645 .42 .0271 |
|
K .11230 .03559 .73645 .04 .0271 |
|
Al1 .58912 .65920 .74736 .05 .0082 |
|
Si1 .58912 .65920 .74736 .95 .0082 |
|
Si2 .90915 .16586 .54861 .07 .0095 |
|
Al2 .90915 .16586 .54861 .93 .0095 |
|
Si3 .66245 .08586 .46135 .94 .0085 |
|
Al3 .66245 .08586 .46135 .06 .0085 |
|
O1 .7084 .6012 .7522 .0144 |
|
O2 .9412 .1255 .7622 .0147 |
|
O3 .6004 .1910 .5454 .0166 |
|
O4 .7947 .0968 .4666 .0166 |
|
O5 .6177 .9806 .9207 .0180 |
|
O6 .5216 .6213 .9238 .0163 |
|
Cl .25 .25 .75 .48 .0392 |
|
C .261 .250 .71 .38 .12 |
|
O12 .261 .250 .71 .38 .12 |
|
O13 .261 .250 .71 .38 .12 |
|
O14 .261 .250 .71 .38 .12 |
|
S .25 .25 .75 .14 .0392 |
|
O15 .25 .25 .75 .14 .0392 |
|
O16 .25 .25 .75 .14 .0392 |
|
O17 .25 .25 .75 .14 .0392 |
|
O18 .25 .25 .75 .14 .0392 |
|
O7 .366 .262 .749 .018 |
|
O8 .214 .347 .715 .073 |
|
O9 .212 .162 .750 .10 |
|
O11 .353 .266 .665 .043 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Madagascar |
|
Note: S11 |
|
_database_code_amcsd 0006224 |
|
12.0972 12.0972 7.5814 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .11124 .03497 .73659 .52 .0261 |
|
Ca .11124 .03497 .73659 .46 .0261 |
|
K .11124 .03497 .73659 .02 .0261 |
|
Al1 .58913 .65902 .74730 .07 .0087 |
|
Si1 .58913 .65902 .74730 .93 .0087 |
|
Si2 .90902 .16563 .54852 .08 .0100 |
|
Al2 .90902 .16563 .54852 .92 .0100 |
|
Si3 .66236 .08608 .46128 .93 .0090 |
|
Al3 .66236 .08608 .46128 .07 .0090 |
|
O1 .7086 .6008 .7523 .0154 |
|
O2 .9407 .1249 .7619 .0158 |
|
O3 .6006 .1913 .5460 .0171 |
|
O4 .7948 .0969 .4658 .0163 |
|
O5 .6174 .9807 .9213 .0184 |
|
O6 .5211 .6207 .9237 .0170 |
|
Cl .25 .25 .75 .46 .0417 |
|
C .258 .252 .742 .45 .16 |
|
O12 .258 .252 .742 .45 .16 |
|
O13 .258 .252 .742 .45 .16 |
|
O14 .258 .252 .742 .45 .16 |
|
S .25 .25 .75 .09 .0417 |
|
O15 .25 .25 .75 .09 .0417 |
|
O16 .25 .25 .75 .09 .0417 |
|
O17 .25 .25 .75 .09 .0417 |
|
O18 .25 .25 .75 .09 .0417 |
|
O7 .368 .262 .748 .018 |
|
O8 .209 .350 .730 .054 |
|
O9 .208 .158 .760 .15 |
|
O11 .353 .265 .662 .033 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Minden, Canada |
|
Note: S12 |
|
_database_code_amcsd 0006225 |
|
12.1338 12.1338 7.5755 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .10963 .03431 .73831 .39 .0261 |
|
Ca .10963 .03431 .73831 .58 .0261 |
|
K .10963 .03431 .73831 .03 .0261 |
|
Al1 .58909 .65902 .74783 .15 .0085 |
|
Si1 .58909 .65902 .74783 .85 .0085 |
|
Si2 .90845 .16537 .54745 .12 .0101 |
|
Al2 .90845 .16537 .54745 .88 .0101 |
|
Si3 .66233 .08700 .46064 .89 .0089 |
|
Al3 .66233 .08700 .46064 .11 .0089 |
|
O1 .7084 .6000 .7517 .0156 |
|
O2 .9383 .1238 .7604 .0154 |
|
O3 .6011 .1924 .5466 .0172 |
|
O4 .79478 .0975 .4635 .0166 |
|
O5 .6165 .9824 .9212 .0191 |
|
O6 .5198 .6197 .9249 .0179 |
|
Cl .25 .25 .75 .28 .0307 |
|
C .266 .248 .726 .58 .14 |
|
O12 .266 .248 .726 .58 .14 |
|
O13 .266 .248 .726 .58 .14 |
|
O14 .266 .248 .726 .58 .14 |
|
S .25 .25 .75 .14 .0307 |
|
O15 .25 .25 .75 .14 .0307 |
|
O16 .25 .25 .75 .14 .0307 |
|
O17 .25 .25 .75 .14 .0307 |
|
O18 .25 .25 .75 .14 .0307 |
|
O7 .370 .273 .738 .011 |
|
O8 .194 .325 .735 .129 |
|
O9 .239 .147 .744 .038 |
|
O11 .351 .267 .658 .045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Pargas, Finland |
|
Note: S13 |
|
_database_code_amcsd 0006226 |
|
12.1498 12.1498 7.5681 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .10836 .03385 .74017 .31 .0250 |
|
Ca .10836 .03385 .74017 .67 .0250 |
|
K .10836 .03385 .74017 .02 .0250 |
|
Al1 .58899 .65878 .74772 .20 .0084 |
|
Si1 .58899 .65878 .74772 .80 .0084 |
|
Si2 .90836 .16488 .54712 .20 .0095 |
|
Al2 .90836 .16488 .54712 .80 .0095 |
|
Si3 .66224 .08783 .46032 .82 .0087 |
|
Al3 .66224 .08783 .46032 .18 .0087 |
|
O1 .7084 .5995 .7519 .0158 |
|
O2 .9369 .1228 .7589 .0149 |
|
O3 .6013 .1943 .5471 .0177 |
|
O4 .7957 .0982 .4615 .0168 |
|
O5 .6163 .9825 .9234 .0185 |
|
O6 .5188 .6187 .9242 .0182 |
|
Cl .25 .25 .75 .16 .1194 |
|
C .262 .249 .724 .84 .013 |
|
O12 .262 .249 .724 .84 .013 |
|
O13 .262 .249 .724 .84 .013 |
|
O14 .262 .249 .724 .84 .013 |
|
S .25 .25 .75 .00 .1194 |
|
O15 .25 .25 .75 .00 .1194 |
|
O16 .25 .25 .75 .00 .1194 |
|
O17 .25 .25 .75 .00 .1194 |
|
O18 .25 .25 .75 .00 .1194 |
|
O7 .369 .268 .747 .020 |
|
O8 .203 .338 .745 .058 |
|
O9 .230 .149 .756 .051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Bolton, USA |
|
Note: S14 |
|
_database_code_amcsd 0006227 |
|
12.1520 12.1520 7.5673 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .10784 .03334 .73943 .30 .0246 |
|
Ca .10784 .03334 .73943 .69 .0246 |
|
K .10784 .03334 .73943 .01 .0246 |
|
Al1 .58906 .65851 .74758 .22 .0092 |
|
Si1 .58906 .65851 .74758 .78 .0092 |
|
Si2 .90815 .16476 .54733 .17 .0101 |
|
Al2 .90815 .16476 .54733 .83 .0101 |
|
Si3 .66203 .08781 .46049 .84 .0096 |
|
Al3 .66203 .08781 .46049 .16 .0096 |
|
O1 .70846 .59920 .7516 .0170 |
|
O2 .9367 .12243 .7594 .0155 |
|
O3 .60141 .19377 .5480 .0177 |
|
O4 .79521 .09788 .4613 .0168 |
|
O5 .61553 .98283 .9234 .0195 |
|
O6 .51849 .61811 .9244 .0185 |
|
Cl .25 .25 .75 .13 .0333 |
|
C .258 .258 .750 .87 .073 |
|
O12 .258 .258 .750 .87 .073 |
|
O13 .258 .258 .750 .87 .073 |
|
O14 .258 .258 .750 .87 .073 |
|
S .25 .25 .75 .00 .0333 |
|
O15 .25 .25 .75 .00 .0333 |
|
O16 .25 .25 .75 .00 .0333 |
|
O17 .25 .25 .75 .00 .0333 |
|
O18 .25 .25 .75 .00 .0333 |
|
O7 .364 .252 .745 .028 |
|
O8 .217 .355 .749 .025 |
|
O9 .201 .168 .753 .108 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Sluydyanka, Russia |
|
Note: S15 |
|
_database_code_amcsd 0006228 |
|
12.1674 12.1674 7.5779 90 90 90 *P4_2/n |
|
.25 .25 .25 |
|
atom x y z occ Uiso |
|
Na .10789 .03277 .7473 .22 .0251 |
|
Ca .10789 .03277 .7473 .77 .0251 |
|
K .10789 .03277 .7473 .01 .0251 |
|
Al1 .58924 .65822 .7495 .26 .0096 |
|
Si1 .58924 .65822 .7495 .74 .0096 |
|
Si2 .90941 .16380 .5439 .40 .0111 |
|
Al2 .90941 .16380 .5439 .60 .0111 |
|
Si3 .66248 .08902 .4578 .58 .0101 |
|
Al3 .66248 .08902 .4578 .42 .0101 |
|
O1 .7085 .5987 .7504 .0173 |
|
O2 .9365 .1227 .7525 .0165 |
|
O3 .5998 .1979 .5448 .0196 |
|
O4 .7989 .0992 .4579 .0193 |
|
O5 .6153 .9838 .9225 .0220 |
|
O6 .5178 .6160 .9239 .0221 |
|
Cl .25 .25 .75 .02 .018 |
|
C .268 .250 .753 .69 .034 |
|
O12 .268 .250 .753 .69 .034 |
|
O13 .268 .250 .753 .69 .034 |
|
O14 .268 .250 .753 .69 .034 |
|
S .25 .25 .75 .29 .018 |
|
O15 .25 .25 .75 .29 .018 |
|
O16 .25 .25 .75 .29 .018 |
|
O17 .25 .25 .75 .29 .018 |
|
O18 .25 .25 .75 .29 .018 |
|
O7 .374 .267 .738 .046 |
|
O8 .208 .338 .744 .065 |
|
O9 .234 .152 .742 .050 |
|
O10 .349 .271 .847 .041 |
|
O11 .344 .264 .640 .031 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Sluydyanka, Russia |
|
Note: S16 |
|
_database_code_amcsd 0006229 |
|
12.1713 12.1713 7.5801 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .35772 .28246 0 .78 .0248 |
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Na .35772 .28246 0 .21 .0248 |
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K .35772 .28246 0 .01 .0248 |
|
Al1 .16074 .09196 0 .29 .0094 |
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Si1 .16074 .09196 0 .71 .0094 |
|
Si2 .16017 .41304 .20691 .50 .0107 |
|
Al2 .16017 .41304 .20691 .50 .0107 |
|
O1 .0415 .1517 0 .0179 |
|
O2 .1866 .3725 0 .0164 |
|
O3 .44944 .15064 .2065 .0192 |
|
O4 .26683 .36535 .6733 .0223 |
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O7 .112 .019 .5 .027 |
|
O8 -.068 .056 .5 .13 |
|
O9 -.005 -.118 .5 .25 |
|
O10 .021 -.0973 .594 .036 |
|
Cl 0 0 .5 .02 .0147 |
|
C .009 -.014 .5 .71 -.062 |
|
O12 .009 -.014 .5 .71 -.062 |
|
O13 .009 -.014 .5 .71 -.062 |
|
O14 .009 -.014 .5 .71 -.062 |
|
S 0 0 .5 .27 .0147 |
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O15 0 0 .5 .27 .0147 |
|
O16 0 0 .5 .27 .0147 |
|
O17 0 0 .5 .27 .0147 |
|
O18 0 0 .5 .27 .0147 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Monte Somma, Italy |
|
Note: S17 |
|
_database_code_amcsd 0006230 |
|
12.2050 12.2050 7.5816 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .35665 .28132 0 .88 .0263 |
|
Na .35665 .28132 0 .08 .0263 |
|
K .35665 .28132 0 .04 .0263 |
|
Al2 .16063 .09218 0 .35 .0103 |
|
Si1 .16063 .09218 0 .65 .0103 |
|
Si2 .15994 .41322 .20703 .49 .0111 |
|
Al2 .15994 .41322 .20703 .51 .0111 |
|
O1 .0414 .1523 0 .0201 |
|
O2 .1868 .3730 0 .0179 |
|
O3 .4495 .1506 .2059 .0202 |
|
O4 .2663 .3646 .6742 .0225 |
|
O7 .122 .018 .5 .028 |
|
O8 -.043 .088 .5 .053 |
|
O9 -.018 -.096 .5 .047 |
|
Cl 0 0 .5 .07 .15 |
|
C .015 .002 .5 .91 .04 |
|
O12 .015 .002 .5 .91 .04 |
|
O13 .015 .002 .5 .91 .04 |
|
O14 .015 .002 .5 .91 .04 |
|
S 0 0 .5 .02 .15 |
|
O15 0 0 .5 .02 .15 |
|
O16 0 0 .5 .02 .15 |
|
O17 0 0 .5 .02 .15 |
|
O18 0 0 .5 .02 .15 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Scapolite |
| |
Sokolova E, Hawthorne F C |
|
The Canadian Mineralogist 46 (2008) 1527-1554 |
|
The crystal chemistry of the scapolite-group minerals. I. crystal structure and |
|
long-range order |
|
Locality: Royal Ontario Museum |
|
Note: S18 |
|
_database_code_amcsd 0006231 |
|
12.2077 12.2077 7.5832 90 90 90 I4/m |
|
atom x y z occ Uiso |
|
Ca .35652 .28101 0 .93 .0256 |
|
Na .35652 .28101 0 .05 .0256 |
|
K .35652 .28101 0 .03 .0256 |
|
Si1 .16045 .09249 0 .64 .0101 |
|
Al2 .16045 .09249 0 .37 .0101 |
|
Si2 .15994 .41307 .20705 .48 .0109 |
|
Al2 .15994 .41307 .20705 .52 .0109 |
|
O1 .0413 .1526 0 .0197 |
|
O2 .1868 .3728 0 .0172 |
|
O3 .44950 .15068 .2058 .0192 |
|
O4 .26621 .36400 .6741 .0224 |
|
O7 .117 .018 .5 .020 |
|
O8 -.047 .086 .5 .054 |
|
O9 -.021 -.098 .5 .047 |
|
Cl 0 0 .5 .03 .10 |
|
C .010 .000 .5 .94 .032 |
|
O12 .010 .000 .5 .94 .032 |
|
O13 .010 .000 .5 .94 .032 |
|
O14 .010 .000 .5 .94 .032 |
|
S 0 0 .5 .03 .10 |
|
O15 0 0 .5 .03 .10 |
|
O16 0 0 .5 .03 .10 |
|
O17 0 0 .5 .03 .10 |
|
O18 0 0 .5 .03 .10 |
|
|
| 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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