|
Marialite |
 |
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
 |
The Canadian Mineralogist 34 (1996) 1039-1050 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: syn-mar |
|
_database_code_amcsd 0005510 |
|
12.0396 12.0396 7.5427 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3741 .2997 .5 4.5 |
|
SiT1 .3386 .4107 0 .75 1.05 |
|
AlT1 .3386 .4107 0 .25 1.05 |
|
SiT2 .6611 .9154 .7936 .75 1.45 |
|
AlT2 .6611 .9154 .7936 .25 1.45 |
|
O1 .4564 .3522 0 1.5 |
|
O2 .6909 .8823 0 1.5 |
|
O3 .3538 .9488 .7845 2.0 |
|
O4 .2691 .3729 .8250 2.0 |
|
Cl .5 .5 .5 .98 3.8 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marialite |
|
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: PAM-1 |
|
_database_code_amcsd 0005511 |
|
12.047 12.047 7.5602 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3751 .2981 .5 .88 3.63 |
|
KM .3751 .2981 .5 .07 3.63 |
|
CaM .3751 .2981 .5 .05 3.63 |
|
SiT1 .3373 .4109 0 .74 .71 |
|
AlT1 .3373 .4109 0 .26 .71 |
|
SiT2 .6611 .9151 .7939 .74 .53 |
|
AlT2 .6611 .9151 .7939 .26 .53 |
|
O1 .4533 .3524 0 1.8 |
|
O2 .6941 .8801 0 1.7 |
|
O3 .3518 .9485 .7892 1.4 |
|
O4 .2718 .3726 .8216 1.5 |
|
Cl .5 .5 .5 4.7 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marialite |
|
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: PAM-2 |
|
_database_code_amcsd 0005512 |
|
12.0489 12.0489 7.5665 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3725 .300 .5 .86 4.4 |
|
KM .3725 .300 .5 .07 4.4 |
|
CaM .3725 .300 .5 .07 4.4 |
|
SiT1 .3408 .4114 0 .73 1.8 |
|
AlT1 .3408 .4114 0 .27 1.8 |
|
SiT2 .6621 .9140 .7936 .73 1.2 |
|
AlT2 .6621 .9140 .7936 .27 1.2 |
|
O1 .457 .354 0 2.5 |
|
O2 .694 .882 0 1.4 |
|
O3 .3493 .9501 .784 2.4 |
|
O4 .2704 .3741 .826 2.4 |
|
Cl .5 .5 .5 .95 7.2 |
|
OH .5 .5 .5 .05 7.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marialite |
|
Sokolova E V, Kabalov Y K, Sherriff B L, Teertstra D K |
|
Jenkins D M, Kunath-Fandrei G, Goetz S, Jager C |
|
The Canadian Mineralogist 34 (1996) 1039-1050 |
|
Marialite: Rietveld structure-refinement and Si MAS |
|
and Al satellite transition NMR spectroscopy |
|
Sample: PAM-3 |
|
_database_code_amcsd 0005513 |
|
12.0546 12.0546 7.5684 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3729 .296 .5 .88 3.5 |
|
KM .3729 .296 .5 .04 3.5 |
|
CaM .3729 .296 .5 .07 3.5 |
|
SiT1 .3372 .4117 0 .73 .9 |
|
AlT1 .3372 .4117 0 .27 .9 |
|
SiT2 .6611 .9147 .7933 .73 .74 |
|
AlT2 .6611 .9147 .7933 .27 .74 |
|
O1 .454 .355 0 1.1 |
|
O2 .692 .881 0 .9 |
|
O3 .3504 .950 .786 1.6 |
|
O4 .2684 .3726 .825 1.5 |
|
Cl .5 .5 .5 .96 4.9 |
|
OH .5 .5 .5 .04 4.9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nacaphite |
|
Sokolova E V, Kabalov Y K, Ferraris G, Schneider J, Khomyakov A P |
|
The Canadian Mineralogist 37 (1999) 83-90 |
|
Modular approach in solving the crystal structure of a synthetic dimorph of |
|
nacaphite, Na2Ca[PO4]F, from powder-diffraction data |
|
_database_code_amcsd 0005594 |
|
7.0179 7.0179 40.56 90 90 120 R3m |
|
atom x y z occ Biso |
|
Na1 .171 -.171 .270 2/3 1.5 |
|
Ca1 .171 -.171 .270 1/3 1.5 |
|
Na2 .170 -.170 .131 2/3 1.5 |
|
Ca2 .170 -.170 .131 1/3 1.5 |
|
Na3 .162 -.162 .400 2/3 1.5 |
|
Ca3 .162 -.162 .400 1/3 1.5 |
|
Na4 .158 -.158 .536 2/3 1.5 |
|
Ca4 .158 -.158 .536 1/3 1.5 |
|
Na5 .160 -.160 .673 2/3 1.5 |
|
Ca5 .160 -.160 .673 1/3 1.5 |
|
P1 0 0 .195 1.2 |
|
P2 0 0 .938 1.2 |
|
P3 0 0 .327 1.1 |
|
P4 0 0 .805 1.2 |
|
P5 0 0 .069 1.1 |
|
O1 0 0 .159 2.0 |
|
O2 0 0 .289 1.0 |
|
O3 0 0 .031 2.1 |
|
O4 0 0 .767 3.9 |
|
O5 0 0 .900 2.2 |
|
O6 .116 -.116 .215 1.2 |
|
O7 .541 -.541 .274 1.3 |
|
O8 .543 -.543 .139 1.8 |
|
O9 .119 -.119 .345 1.2 |
|
O10 .882 -.882 .083 2.0 |
|
F1 0 0 .423 1.4 |
|
F2 0 0 .569 1.2 |
|
F3 0 0 .647 2.2 |
|
F4 0 0 .704 1.4 |
|
F5 0 0 .495 1.4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Potassic-ferrisadanagaite |
| |
Sokolova E V, Hawthorne F C, Kabalov Y K, Schneider J, McCammon C A |
|
The Canadian Mineralogist 38 (2000) 669-674 |
|
The crystal chemistry of potassic-ferrisadanagaite |
|
Locality: contact zone of the Ilmen alkaline massif, Ilmen Mountains, southern Urals, Russia |
|
_database_code_amcsd 0005653 |
|
9.9309 18.0949 5.3681 90 105.19 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2813 .087 .3117 .73 .8 |
|
Al1 .2813 .087 .3117 .27 .8 |
|
Si2 .2897 .174 .8144 .93 .7 |
|
Al2 .2897 .174 .8144 .07 .7 |
|
Fe1 0 .091 1/2 .65 .1 |
|
Ti1 0 .091 1/2 .095 .1 |
|
Mg1 0 .091 1/2 .255 .1 |
|
Al2 0 .180 0 .39 .2 |
|
Fe2 0 .180 0 .61 .2 |
|
Fe3 0 0 0 .70 .2 |
|
Mn3 0 0 0 .21 .2 |
|
Mg3 0 0 0 .09 .2 |
|
Mn4 0 .283 1/2 .02 .1 |
|
Ca4 0 .283 1/2 .865 .1 |
|
Na4 0 .283 1/2 .115 .1 |
|
NaA 0 1/2 0 .32 5.5 |
|
KA 0 1/2 0 .66 5.5 |
|
O1 .1035 .093 .2108 .2 |
|
O2 .1184 .176 .7380 .7 |
|
O3 .1034 0 .7038 .9 |
|
O4 .3708 .250 .7939 .1 |
|
O5 .3500 .140 .1161 1.1 |
|
O6 .3414 .118 .6109 .4 |
|
O7 .3404 0 .2940 .6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Note: sample BOLT |
|
Locality: Bolton, Massachusetts, USA |
|
_database_code_amcsd 0005695 |
|
12.1476 12.1476 7.5636 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3589 .2843 .5 .28 2.27 |
|
KM .3589 .2843 .5 .05 2.27 |
|
CaM .3589 .2843 .5 .67 2.27 |
|
SiT1 .3403 .4099 0 .88 1.43 |
|
AlT1 .3403 .4099 0 .12 1.43 |
|
SiT2 .6592 .9132 .7929 .45 1.53 |
|
AlT2 .6592 .9132 .7929 .55 1.53 |
|
O1 .4580 .3502 0 1.6 |
|
O2 .6852 .8744 0 1.5 |
|
O3 .3516 .9522 .7911 2.0 |
|
O4 .2693 .3685 .8239 2.0 |
|
ClA .5 .5 .5 .07 |
|
FA .5 .5 .5 .03 |
|
C .509 .481 .5 .11 3.5 |
|
O7 .517 .376 .5 .11 3.5 |
|
O8 .596 .540 .5 .11 3.5 |
|
O9 .414 .526 .5 .11 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
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Note: sample SL-1 |
|
Locality: Slyudyanka mineral deposit, eastern Siberia, Russia |
|
_database_code_amcsd 0005696 |
|
12.1637 12.1637 7.5739 90 90 90 I4/m |
|
atom x y z occ Biso |
|
NaM .3577 .2838 .5 .19 1.89 |
|
KM .3577 .2838 .5 .01 1.89 |
|
CaM .3577 .2838 .5 .78 1.89 |
|
Si1 .3409 .4096 0 .90 1.7 |
|
Al1 .3409 .4096 0 .10 1.7 |
|
Si2 .6581 .9133 .7926 .4 1.7 |
|
Al2 .6581 .9133 .7926 .6 1.7 |
|
O1 .4588 .3500 0 1.7 |
|
O2 .6862 .8756 0 1.5 |
|
O3 .3518 .9526 .7896 2.0 |
|
O4 .2680 .3657 .826 2.7 |
|
ClA .5 .5 .5 .01 |
|
SA .5 .5 .5 .16 |
|
C .509 .481 .5 .08 3.5 |
|
O7 .517 .376 .5 .08 3.5 |
|
O8 .596 .540 .5 .08 3.5 |
|
O9 .414 .526 .5 .08 3.5 |
|
O10 .600 .518 .606 .04 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
|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Note: sample MONT |
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Locality: Monte Somma, Italy |
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_database_code_amcsd 0005697 |
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12.1969 12.1969 7.5763 90 90 90 I4/m |
|
atom x y z occ Biso |
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NaM .3570 .2820 .5 .03 1.7 |
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KM .3570 .2820 .5 .01 1.7 |
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CaM .3570 .2820 .5 .96 1.7 |
|
Si1 .3409 .4083 0 .75 1.1 |
|
Al1 .3409 .4083 0 .25 1.1 |
|
Si2 .6588 .9143 .7916 .39 1.3 |
|
Al2 .6588 .9143 .7916 .61 1.3 |
|
O1 .460 .349 0 1.5 |
|
O2 .683 .8771 0 .6 |
|
O3 .3523 .9520 .792 1.3 |
|
O4 .2683 .3676 .822 1.2 |
|
ClA .5 .5 .5 .01 |
|
SA .5 .5 .5 .02 |
|
C .509 .481 .5 .11 3.5 |
|
O7 .517 .376 .5 .11 3.5 |
|
O8 .596 .540 .5 .11 3.5 |
|
O9 .414 .526 .5 .11 3.5 |
|
O10 .600 .518 .606 .01 3.5 |
|
|
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|
| |
|
Meionite |
|
Sherriff B L, Sokolova E V, Kabalov Y K, Jenkins D M, Kunath-Fandrei G, |
|
Goetz S, Jager C, Schneider J |
|
The Canadian Mineralogist 38 (2000) 1201-1213 |
|
Meionite: Rietveld structure-refinement, Si MAS and Al SATRAS NMR |
|
spectroscopy, and comments on the marialite-meionite series |
|
Sample: S.MEI, Synthetic |
|
_database_code_amcsd 0005698 |
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12.2119 12.2119 7.5811 90 90 90 I4/m |
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atom x y z occ Biso |
|
CaM .3556 .2798 .5 .96 1.5 |
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Si1 .341 .407 0 .5 2.2 |
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Al1 .341 .407 0 .5 2.2 |
|
Si2 .6595 .9136 .7925 .5 1.8 |
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Al2 .6595 .9136 .7925 .5 1.8 |
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O1 .461 .350 0 1.9 |
|
O2 .689 .874 0 2.4 |
|
O3 .351 .948 .794 1.3 |
|
O4 .263 .363 .827 2.6 |
|
C .509 .481 .5 .13 3.5 |
|
O7 .517 .376 .5 .13 3.5 |
|
O8 .596 .540 .5 .13 3.5 |
|
O9 .414 .526 .5 .13 3.5 |
|
|
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| |
|
Diopside |
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Kabalov Y K, Oeckler O, Sokolova E V, Mironov A B, Chesnokov B V |
| |
European Journal of Mineralogy 9 (1997) 617-621 |
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Subsilicic ferrian aluminian diopside from the Chelyabinsk |
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coal basin (Southern Urals) - an unusual clinopyroxene |
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Locality: Chelyabinsk coal basin, Southern Urals |
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_database_code_amcsd 0006695 |
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9.786 8.860 5.338 90 105.87 90 C2/c |
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atom x y z occ Biso |
|
FeM1 0 .096 3/4 .35 1.0 |
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AlM1 0 .096 3/4 .20 1.0 |
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MgM1 0 .096 3/4 .44 1.0 |
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CaM2 0 .697 3/4 .96 .8 |
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FeT .211 .408 .774 .08 1.0 |
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SiT .211 .408 .774 .70 1.0 |
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AlT .211 .408 .774 .20 1.0 |
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O1 .396 .412 .865 1.2 |
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O2 .144 .242 .648 .9 |
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O3 .148 .481 .020 .4 |
|
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|
| |
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Turkestanite |
| |
Kabalov Yu K, Sokolova E V, Pautov L A, Schneider J |
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Crystallography Reports 43 (1998) 584-588 |
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Crystal structure of a new mineral turkestanite: a calcium analogue of steacyite |
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Locality: Dzhelisu massif, Alayskiy range, Tien Shan, Kyrgyzstan |
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Note: calculated Biso's disagree with reported values |
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Note: z(O3) adjusted to match reported bond lengths |
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_database_code_amcsd 0012357 |
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7.5792 7.5792 14.7042 90 90 90 P4/mcc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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ThA 0 0 .25 .85 .0035 .0035 .0028 0 0 0 |
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CaB 0 .5 .25 .70 .7 .0028 .0028 .0019 0 0 0 |
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NaB 0 .5 .25 .25 .7 .0028 .0028 .0019 0 0 0 |
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KC 0 0 0 .53 1.8 .026 .026 .002 0 0 0 |
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Si .2597 .3358 .1073 2.8 .008 .007 .0059 -.001 .0000 .0004 |
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O1 .229 .310 0 3.3 |
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O2 .454 .261 .1337 2.6 |
|
O3 .111 .258 .1574 2.6 |
|
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|
| |
|
Burbankite |
|
Belovitskaya Yu V, Pekov I V, Kabalov Yu K |
| |
Crystallography Reports 45 (2000) 26-29 |
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Refinement of the crystal structures of low-rare-earth |
|
and "typical" burbankites by the Rietveld method |
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Locality: Khibiny Massif, Kola Peninsula, Russia |
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Sample: B-108 |
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Note: x02 adjusted to satisfy symmetry constraints |
|
_database_code_amcsd 0012365 |
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10.5313 10.5313 6.4829 90 90 120 P6_3mc |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaA .5237 .4763 .319 .728 1.7 .006 .006 .011 0 .003 -.003 |
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CaA .5237 .4763 .319 .231 1.7 .006 .006 .011 0 .003 -.003 |
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YA .5237 .4763 .319 .01 1.7 .006 .006 .011 0 .003 -.003 |
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SrB .8410 .1590 0 .633 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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BaB .8410 .1590 0 .106 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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CeB .8410 .1590 0 .074 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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LaB .8410 .1590 0 .038 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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NdB .8410 .1590 0 .016 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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PrB .8410 .1590 0 .006 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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CaB .8410 .1590 0 .047 .88 .0021 .0021 .0091 .0010 .001 -.001 |
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C1 .799 .201 .53 2.7 |
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C2 0 0 .85 2.0 |
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C3 1/3 2/3 .49 2.0 |
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O1 .376 .088 .628 1.6 |
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O2 .930 .070 .352 2.9 |
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O3 .406 .594 .49 1.7 |
|
O4 .770 .230 .358 3.1 |
|
|
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|
| |
|
Burbankite |
|
Belovitskaya Yu V, Pekov I V, Kabalov Yu K |
| |
Crystallography Reports 45 (2000) 26-29 |
|
Refinement of the crystal structures of low-rare-earth |
|
and "typical" burbankites by the Rietveld method |
|
Locality: Khibiny Massif, Kola Peninsula, Russia |
|
Sample: B-104 |
|
_database_code_amcsd 0012366 |
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10.5263 10.5263 6.5392 90 90 120 P6_3mc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaA .5230 .4770 .316 .620 1.5 .0042 .0042 .007 .0017 .0006 -.0006 |
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CaA .5230 .4770 .316 .340 1.5 .0042 .0042 .007 .0017 .0006 -.0006 |
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YA .5230 .4770 .316 .006 1.5 .0042 .0042 .007 .0017 .0006 -.0006 |
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SrB .8430 .1570 0 .717 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
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BaB .8430 .1570 0 .126 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
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CaB .8430 .1570 0 .037 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
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LaB .8430 .1570 0 .017 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
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CeB .8430 .1570 0 .006 .89 .0025 .0025 .0067 .0011 -.0001 .0001 |
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C1 .796 .204 .549 2.4 |
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C2 0 0 .852 1.6 |
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C3 1/3 2/3 .49 2.2 |
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O1 .382 .087 .631 1.7 |
|
O2 .9292 .0708 .362 2.3 |
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O3 .4048 .5952 .482 1.9 |
|
O4 .774 .226 .355 2.1 |
|
|
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|
| |
|
Calcioburbankite |
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Belovitskaya Y V, Pekov I V, Gobechiya E R, Kabalov Y K, Subbotin V V |
| |
Crystallography Reports 46 (2001) 927-931 |
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Crystal structure of calcioburbankite and the characteristic features of the |
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burbankite structure type |
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Locality: Vuoriyarvi, North Kareliya |
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_database_code_amcsd 0012373 |
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10.4974 10.4974 6.4309 90 90 120 P6_3mc |
|
atom x y z occ Biso |
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NaA .5241 .4759 .317 .743 1.4 |
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CaA .5241 .4759 .317 .163 1.4 |
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CeA .5241 .4759 .317 .030 1.4 |
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CeB .8406 .1594 0 .116 1.01 |
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LaB .8406 .1594 0 .081 1.01 |
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NdB .8406 .1594 0 .033 1.01 |
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BaB .8406 .1594 0 .167 1.01 |
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CaB .8406 .1594 0 .316 1.01 |
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SrB .8406 .1594 0 .183 1.01 |
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NaB .8406 .1594 0 .146 1.01 |
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C1 .797 .203 .55 5 |
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C2 0 0 .88 1 |
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C3 1/3 2/3 .49 2 |
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O1 .376 .088 .633 1.1 |
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O2 .926 .074 .344 1.8 |
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O3 .4037 .5963 .476 .5 |
|
O4 .776 .224 .359 1.8 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Khanneshite |
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Belovitskaya Y V, Pekov I V, Gobechiya E R, Kabalov Y K, Schneider J |
| |
Crystallography Reports 47 (2002) 39-42 |
|
Determination of the crystal structure of khanneshite by the Rietveld method |
|
Locality: Khibiny massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0012375 |
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10.5790 10.5790 6.5446 90 90 120 P6_3mc |
|
atom x y z occ Biso |
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NaA .5246 .4754 .308 .86 1.1 |
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CaA .5246 .4754 .308 .14 1.1 |
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SrB .8403 .1597 0 .21 .85 |
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BaB .8403 .1597 0 .36 .85 |
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CeB .8403 .1597 0 .16 .85 |
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LaB .8403 .1597 0 .06 .85 |
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NdB .8403 .1597 0 .05 .85 |
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PrB .8403 .1597 0 .01 .85 |
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CaB .8403 .1597 0 .15 .85 |
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C1 .799 .201 .541 1.4 |
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C2 0 0 .838 1.0 |
|
C3 1/3 2/3 .50 3.0 |
|
O1 .379 .085 .629 1.6 |
|
O2 .928 .072 .344 3.7 |
|
O3 .405 .595 .486 1.9 |
|
O4 .774 .226 .359 2.4 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ancylite-(Ce) |
|
Belovitskaya Y V, Pekov I V, Gobechiya E R, Yamnova N A, Kabalov Y K, |
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Chukanov N V, Schneider J |
| |
Crystallography Reports 47 (2002) 223-228 |
|
Crystal structures of two ancylite modifications |
|
Locality: Lovchorrite Mine, Hackman Velley, Khibiny massif, Kola Peninsula, Russia |
|
Sample: Specimen 52 |
|
_database_code_amcsd 0012378 |
|
5.0634 8.5898 7.2781 90 90 90 Pmc2_1 |
|
atom x y z occ Biso |
|
SrM1 0 .0977 .6437 .97 .48 |
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CaM1 0 .0977 .6437 .02 .48 |
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BaM1 0 .0977 .6437 .01 .48 |
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CeM2 .5 .5897 .8475 .52 .66 |
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LaM2 .5 .5897 .8475 .28 .66 |
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NdM2 .5 .5897 .8475 .11 .66 |
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PrM2 .5 .5897 .8475 .04 .66 |
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SmM2 .5 .5897 .8475 .01 .66 |
|
C1 0 .554 .191 1.9 |
|
C2 .5 .056 .308 1.8 |
|
O11 0 .418 .271 2.1 |
|
O12 .5 .919 .244 1.4 |
|
O21 .277 .122 .352 1.3 |
|
O22 .223 .617 .151 1.5 |
|
Wat31 0 .204 .992 .9 1.4 |
|
OH32 .5 .660 .516 .83 1.0 |
|
F32 .5 .660 .516 .13 1.0 |
|
|
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|
| |
|
Ancylite-(Ce) |
|
Belovitskaya Y V, Pekov I V, Gobechiya E R, Yamnova N A, Kabalov Y K, |
|
Chukanov N V, Schneider J |
| |
Crystallography Reports 47 (2002) 223-228 |
|
Crystal structures of two ancylite modifications |
|
Locality: Tulilukht Bay, Khibiny massif, Kola Peninsula, Russia |
|
Sample: Specimen 54 |
|
_database_code_amcsd 0012379 |
|
5.0577 8.5665 7.3151 90 90 90 Pmcn |
|
atom x y z occ Biso |
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SrM .25 .3409 .6482 .40 .96 |
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CaM .25 .3409 .6482 .025 .96 |
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BaM .25 .3409 .6482 .005 .96 |
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CeM .25 .3409 .6482 .31 .96 |
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LaM .25 .3409 .6482 .20 .96 |
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NdM .25 .3409 .6482 .045 .96 |
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PrM .25 .3409 .6482 .015 .96 |
|
C .75 .1961 .8154 3.7 |
|
O1 .75 .3286 .7336 2.7 |
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O2 .5266 .1223 .8525 1.2 |
|
OH3 .25 .4183 .9736 .425 2.7 |
|
F3 .25 .4183 .9736 .075 2.7 |
|
Wat3 .25 .4183 .9736 .5 2.7 |
|
|
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|
| |
|
Zlatogorite |
|
Kabalov Y K, Sokolova E V, Spiridonov E M, Spiridonov F M |
| |
Doklady Akademii Nauk 335 (1994) 709-711 |
|
Crystal structure of a new mineral CuNiSb2 |
|
Locality: Zlatoja Hora (Gold Hill) deposit, Middle Urals, Russia |
|
_database_code_amcsd 0018698 |
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4.0510 4.051 5.1382 90 90 120 P-3m1 |
|
atom x y z Biso |
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Cu 0 0 0 .5 |
|
Ni 0 0 .5 .5 |
|
Sb 1/3 2/3 .2703 .3 |
|
|
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|
| |
|
Majakite |
|
Evstigneeva T, Kabalov Y, Schneider J |
| |
Materials Science Forum 321 (2000) 700-705 |
|
Crystal structure of PdNiAs, ordered member of isomorphous series Pd2As-Ni2As |
|
Locality: synthetic |
|
_database_code_amcsd 0014389 |
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6.3165 6.3165 7.4278 90 90 120 P-62c |
|
atom x y z occ Biso |
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Pd1 .5941 .0044 .25 1.40 |
|
Ni2 .2501 0 0 .808 .57 |
|
Pd2 .2501 0 0 .192 .57 |
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As1 1/3 2/3 0 1.20 |
|
As2 0 0 .25 1.41 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Belovite-(La) |
|
Kabalov Y K, Sokolova E V, Pekov I V |
| |
Soviet Physics Doklady 42 (1997) 344-348 |
|
Crystal structure of belovite-(La) |
|
Locality: Mt. Kukisvumchorr, Khibiny alkaline massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0015622 |
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9.6641 9.6641 7.1825 90 90 120 P-3 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
SrA3 .2372 -.0195 .2449 .918 .0127 .0129 .0204 .0032 -.003 .0028 |
|
CaA3 .2372 -.0195 .2449 .02 .0127 .0129 .0204 .0032 -.003 .0028 |
|
BaA3 .2372 -.0195 .2449 .04 .0127 .0129 .0204 .0032 -.003 .0028 |
|
NaA1 1/3 2/3 .015 .777 .008 .008 .007 .004 0 0 |
|
LaA1 1/3 2/3 .015 .133 .008 .008 .007 .004 0 0 |
|
CeA1 1/3 2/3 .015 .08 .008 .008 .007 .004 0 0 |
|
LaA2 1/3 2/3 .512 .466 .0097 .0097 .0137 .0049 0 0 |
|
CeA2 1/3 2/3 .512 .32 .0097 .0097 .0137 .0049 0 0 |
|
NaA2 1/3 2/3 .512 .204 .0097 .0097 .0137 .0049 0 0 |
|
P .4023 .367 .2428 2.5 |
|
O1 .481 .149 .747 3.4 |
|
O2 .326 .265 .085 4.5 |
|
O3 .363 .292 .433 1.9 |
|
O4 .536 .111 .235 3.6 |
|
F5 0 0 .287 2.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hydroxylchondrodite |
| |
Pekov I V, Gerasimova E I, Chukanov N V, Kabalov Y K, Zubkova N V, |
|
Zadov A E, Yapaskurt V O, Gekimyants V M, Pushcharovskii D Y |
| |
Doklady Akademii Nauk 436 (2011) 526-532 |
|
Hydroxylchondrodite Mg5(SiO4)2(OH)2: a new mineral of the humite group |
|
and its crystal structure |
|
Locality: Perovskitovaya Kop', Chuvashskie Mountains, Southern Urals, Russia |
|
_database_code_amcsd 0018887 |
|
7.880 4.726 10.290 90 109.04 90 P2_1/c |
|
atom x y z occ Biso |
|
Mg1 .5 .5 0 1.4 |
|
Mg2 .3073 .016 .1753 1.0 |
|
Mg3 .0780 .498 .8915 .85 .8 |
|
Ti3 .0780 .498 .8915 .15 .8 |
|
Si .7029 .0800 .1429 1.2 |
|
O1 .294 .777 .003 1.0 |
|
O2 .119 .712 .240 1.0 |
|
O3 .530 .226 .163 1.2 |
|
O4 .300 .262 .856 .8 |
|
OH5 .098 .256 .051 .66 .8 |
|
F5 .098 .256 .051 .12 .8 |
|
O5 .098 .256 .051 .22 .8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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