|
Defernite |
 |
Armbruster T, Yang P, Liebich B W |
 |
American Mineralogist 81 (1996) 625-631 |
|
Mechanism of the SiO4 for CO3 substitution in defernite, |
|
Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray |
|
study at 100 K |
|
_database_code_amcsd 0001795 |
|
17.744 22.601 3.633 90 90 90 Pnam |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .71084 .08323 .25 .763 .0090 .0140 .0060 -.0003 0 0 |
|
Ca2 .53158 .42685 .25 .578 .0079 .0086 .0055 -.00020 0 0 |
|
Ca3 .36989 .17931 .25 .736 .0128 .0092 .0060 -.0025 0 0 |
|
Ca4 .62081 .65941 .25 .549 .0075 .0079 .0055 -.00070 0 0 |
|
Ca5 .77072 .90686 .25 .693 .0086 .0109 .0068 -.0015 0 0 |
|
Ca6 .97448 .57623 .25 .702 .0074 .0098 .0094 -.00018 0 0 |
|
C1 .37222 .47117 .25 .68 .0099 .0104 .0055 -.0007 0 0 |
|
O1 .56809 .49527 .75 .70 .0079 .0102 .0086 -.0016 0 0 |
|
O2 .61760 .58571 .75 .96 .0175 .0082 .0107 -.0003 0 0 |
|
O3 .69361 .50731 .75 1.23 .0080 .0164 .0224 .0000 0 0 |
|
Si2 .3693 .0308 .307 .420 .27 |
|
O4S .3480 .0359 .75 .420 1.4 .008 .042 .002 .005 0 0 |
|
O5S .3451 -.0349 .203 .420 .8 .010 .006 .015 .002 .000 -.002 |
|
O6S .4593 .0342 .25 .420 .71 .003 .012 .012 .001 0 0 |
|
O7S .3223 .0848 .147 .420 .82 .008 .005 .018 -.001 -.002 .006 |
|
C2 .3691 .0306 .25 .580 1.2 .016 .021 .010 -.001 0 0 |
|
O5 .3444 -.0227 .25 .580 .95 .014 .009 .014 .004 0 0 |
|
O6 .4407 .0404 .25 .580 1.12 .008 .020 .015 -.001 0 0 |
|
O7 .3221 .0744 .25 .580 1.07 .014 .007 .019 .000 0 0 |
|
O8 .08948 .38194 .25 1.16 .0124 .0192 .0123 -.0021 0 0 |
|
O9 .24815 .85827 .25 .92 .0119 .0122 .0110 .0004 0 0 |
|
O10 .04826 .66228 .25 .82 .0107 .0114 .0090 -.0010 0 0 |
|
O11 .40225 .28006 .25 .85 .0128 .0098 .0097 -.0001 0 0 |
|
O12 .49567 .63179 .25 .78 .0108 .0119 .0069 -.0008 0 0 |
|
O13 .15225 .11250 .25 .89 .0097 .0120 .0123 -.0009 0 0 |
|
O14 .71552 .81385 .25 1.11 .0113 .0180 .0128 -.0004 0 0 |
|
Cl1 .8883 .75150 .1149 .249 2.95 .027 .0149 .070 .0005 -.003 -.0015 |
|
OCh2 .9238 .7586 .569 .156 3.8 |
|
OCh3 .8519 .7457 .75 .051 1.9 |
|
OCh4 .930 .757 .25 .025 3.3 |
|
OCh5 .857 .744 .25 .031 3.95 |
|
H8 .911 .655 .75 3.95 |
|
H9 .775 .669 .25 3.95 |
|
H10 .520 .813 .25 3.95 |
|
H11 .552 .724 .75 3.95 |
|
H12 .466 .661 .25 3.95 |
|
H13 .644 .354 .25 3.95 |
|
H14 .747 .788 .25 3.95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Epistilbite |
|
Yang P, Armbruster T |
| |
European Journal of Mineralogy 8 (1996) 263-271 |
|
(010) disorder, partial Si,Al ordering, and Ca distribution |
|
in triclinic (C1) epistilbite |
|
Sample: 293 K |
|
Locality: Gibelsbach, Fiesch (Valais, Switzerland) |
|
_database_code_amcsd 0006621 |
|
9.083 17.738 10.209 89.95 124.58 90.00 C1 |
|
atom x y z occ Biso |
|
Ca1 .7603 -.0020 .2502 .327 1.74 |
|
Na1 .7603 -.0020 .2502 .036 1.74 |
|
K1 .7603 -.0020 .2502 .023 1.74 |
|
Ca12 -.7570 .0001 -.2488 .527 2.44 |
|
Na12 -.7570 .0001 -.2488 .060 2.44 |
|
K12 -.7570 .0001 -.2488 .037 2.44 |
|
Ca2 .7525 .0010 .5015 .322 3.94 |
|
Na2 .7525 .0010 .5015 .036 3.94 |
|
K2 .7525 .0010 .5015 .023 3.94 |
|
Ca22 -.737 .0043 -.5005 .158 4.8 |
|
Na22 -.737 .0043 -.5005 .018 4.8 |
|
K22 -.737 .0043 -.5005 .011 4.8 |
|
AlT11 .0005 .0914 .1605 .256 1.02 |
|
SiT11 .0005 .0914 .1605 .744 1.02 |
|
AlT12 -.0034 .0942 -.1593 .256 1.22 |
|
SiT12 -.0034 .0942 -.1593 .744 1.22 |
|
AlT13 .0077 -.0865 .1558 .256 .98 |
|
SiT13 .0077 -.0865 .1558 .744 .98 |
|
AlT14 -.0017 -.0847 -.1636 .256 .68 |
|
SiT14 -.0017 -.0847 -.1636 .744 .68 |
|
AlT21 .2963 .20890 .36978 .256 .99 |
|
SiT21 .2963 .20890 .36978 .744 .99 |
|
AlT22 -.3047 .2097 -.3826 .256 1.25 |
|
SiT22 -.3047 .2097 -.3826 .744 1.25 |
|
AlT23 .2954 -.2060 .4080 .256 1.01 |
|
SiT23 .2954 -.2060 .4080 .744 1.01 |
|
AlT24 -.2830 -.2080 -.4017 .256 1.42 |
|
SiT24 -.2830 -.2080 -.4017 .744 1.42 |
|
AlT31 .7165 .1974 .1223 .256 1.15 |
|
SiT31 .7165 .1974 .1223 .744 1.15 |
|
AlT32 -.7023 .1962 -.1147 .256 1.57 |
|
SiT32 -.7023 .1962 -.1147 .744 1.57 |
|
AlT33 .7066 -.1974 .0732 .256 1.14 |
|
SiT33 .7066 -.1974 .0732 .744 1.14 |
|
AlT34 -.7074 -.1975 -.0808 .256 1.42 |
|
SiT34 -.7074 -.1975 -.0808 .744 1.42 |
|
O11 .0246 .0042 .2143 1.83 |
|
O12 -.0217 .0031 -.2208 1.69 |
|
O21 -.005 .1054 .0048 2.6 |
|
O23 .003 -.0929 -.0053 2.5 |
|
O31 .819 .1196 .144 2.4 |
|
O32 -.804 .1201 -.133 2.4 |
|
O33 .813 -.1169 .123 2.4 |
|
O34 -.811 -.1111 -.129 1.84 |
|
O41 .169 .1333 .316 1.86 |
|
O42 -.167 .1392 -.3247 1.80 |
|
O43 .183 -.1358 .301 3.0 |
|
O44 -.160 -.1317 -.305 2.9 |
|
O51 .516 .1768 .026 3.0 |
|
O53 .5108 -.1810 -.0063 3.5 |
|
O61 .4988 .1736 .4921 1.69 |
|
O63 .5057 -.1860 .517 2.9 |
|
O71 .7927 .2624 .0623 2.38 |
|
O72 -.7800 .2630 -.0600 2.8 |
|
O81 .2673 -.2778 .2999 2.83 |
|
O82 -.2379 -.2813 -.2840 2.55 |
|
O83 .2849 .2473 .2207 2.90 |
|
O84 -.2955 .2513 -.2385 2.82 |
|
O91 .2484 .2690 .4586 2.8 |
|
O92 -.2535 .2703 -.4661 2.9 |
|
Wat1 .504 -.0019 .509 8.5 |
|
Wat2 .013 .0807 .5107 6.08 |
|
Wat2p .013 -.0807 .5107 6.08 |
|
Wat3 .567 .0785 .2881 11.2 |
|
Wat3' -.5720 .0840 -.2894 6.1 |
|
Wat3p .567 -.0785 .2881 11.2 |
|
Wat3p' -.5720 -.0840 -.2894 6.1 |
|
Wat4 .517 -.0003 .0108 3.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heulandite |
|
Yang P, Armbruster T |
| |
European Journal of Mineralogy 10 (1998) 461-471 |
|
X-ray single-crystal structure refinement of NH4-exchanged |
|
heulandite at 100 K |
|
_database_code_amcsd 0006729 |
|
17.738 17.974 7.416 90 115.91 90 C2/m |
|
atom x y z occ Biso |
|
N1 .0072 .1010 .403 .5 6.8 |
|
N3 -.2416 1/2 -.0544 3.4 |
|
N14 .507 0 .414 .24 3.27 |
|
SiT1 .17857 .16916 .0971 .857 .99 |
|
AlT1 .17857 .16916 .0971 .143 .99 |
|
SiT2 .28355 .08899 .4890 .52 1.00 |
|
AlT2 .28355 .08899 .4890 .48 1.00 |
|
SiT3 .29252 .30907 .2865 .808 .97 |
|
AlT3 .29252 .30907 .2865 .192 .97 |
|
SiT4 .06787 .29826 .4213 .887 1.09 |
|
AlT4 .06787 .29826 .4213 .113 1.09 |
|
SiT5 0 .22078 0 .659 1.39 |
|
AlT5 0 .22078 0 .341 1.39 |
|
O1 .3029 0 .5399 2.13 |
|
O2 .2332 .1210 .6155 2.35 |
|
O3 .1899 .1559 -.1062 2.54 |
|
O4 .2248 .1005 .2445 2.60 |
|
O5 0 .3256 1/2 2.86 |
|
O6 .0803 .1657 .0457 2.90 |
|
O7 .3789 .2723 .4512 2.71 |
|
O8 .0154 .2749 .1895 3.60 |
|
O9 .2182 .2478 .2026 2.07 |
|
O10 .1253 .3698 .4393 3.11 |
|
Wat1 .0709 0 .161 .81 9.4 |
|
Wat2 .473 0 .846 .29 9.7 |
|
Wat3 .072 0 -.243 .50 12.2 |
|
Wat4 0 .436 0 .16 5.3 |
|
Wat5 .390 1/2 .375 .36 8.76 |
|
Wat8 .387 -.104 .108 .24 7.68 |
|
Wat9 .451 .544 .737 .24 14.90 |
|
Wat10 .400 -.101 .029 .13 .70 |
|
Wat11 .575 -.088 .002 .34 8.9 |
|
Wat12 .077 .436 -.111 .26 6.56 |
|
Wat14 .482 0 .480 .34 7.1 |
|
H11 0 .126 1/2 .5 9.47 |
|
H12 .043 .063 .461 .5 9.47 |
|
H13 -.042 .082 .32 .5 9.47 |
|
H14 .029 .131 .34 .5 9.47 |
|
H31 -.216 1/2 -.13 9.47 |
|
H32 -.298 1/2 -.13 9.47 |
|
H33 -.227 .536 .035 9.47 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nierite |
|
Yang P, Fun H-K, Rahman I A, Saleh M I |
| |
Ceramics International 21 (1995) 137-142 |
|
Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice |
|
husk by Rietveld analysis |
|
Locality: synthetic |
|
Sample: Alpha phase |
|
Note: changed N4 location to match reported bond distances |
|
_database_code_amcsd 0012185 |
|
7.7650 7.7650 5.6275 90 90 120 P31c |
|
atom x y z Biso |
|
Si1 .5106 .0815 .1904 .73 |
|
Si2 .1658 .2520 -.0168 .54 |
|
N1 0 0 -.029 .26 |
|
N2 1/3 2/3 .634 .3 |
|
N3 .3488 -.0383 -.022 .8 |
|
N4 .3092 .3546 .230 .1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Si3N4 |
| |
Yang P, Fun H-K, Rahman I A, Saleh M I |
| |
Ceramics International 21 (1995) 137-142 |
|
Two phase refinements of the structures of a-Si3N4 and B-Si3N4 made from rice |
|
husk by Rietveld analysis |
|
Sample: Beta phase |
|
_database_code_amcsd 0012186 |
|
7.6093 7.6093 2.9079 90 90 120 P6_3/m |
|
atom x y z Biso |
|
Si .1742 -.2322 .25 .51 |
|
N1 1/3 2/3 .25 .9 |
|
N2 .329 .039 .25 2.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heulandite-Na |
| |
Yang P, Armbruster T |
| |
Journal of Solid State Chemistry 123 (1996) 140-149 |
|
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure |
|
refinements at 100 K |
|
Sample: T = 100 K |
|
Locality: Nasik, India |
|
_database_code_amcsd 0013884 |
|
17.6770 17.931 7.426 90 116.47 90 C2/m |
|
atom x y z occ Biso |
|
Na1 .025 -.091 .481 .13 8.0 |
|
Na3 .179 0 .676 .58 2.6 |
|
Na4 .0358 .485 .250 .29 3.3 |
|
Ca1 .156 0 .680 .22 3.6 |
|
Ca2 .5420 0 .194 .16 1.4 |
|
Al1 .17931 .17025 .09656 .23 .948 |
|
Si1 .17931 .17025 .09656 .77 .948 |
|
Al2 .28931 .08985 .5006 .42 1.12 |
|
Si2 .28931 .08985 .5006 .58 1.12 |
|
Al3 .29150 .31041 .28324 .2 .940 |
|
Si3 .29150 .31041 .28324 .8 .940 |
|
Al4 .06468 .29752 .41023 .15 1.051 |
|
Si4 .06468 .29752 .41023 .85 1.051 |
|
Al5 0 .21311 0 .15 1.01 |
|
Si5 0 .21311 0 .85 1.01 |
|
O1 .3058 0 .5423 2.21 |
|
O2 .2323 .1181 .6157 1.98 |
|
O3 .1811 .1545 .8823 2.27 |
|
O4 .2387 .1072 .2539 1.98 |
|
O5 0 .3242 .5 2.39 |
|
O6 .0818 .1587 .0646 1.63 |
|
O7 .3717 .2666 .4541 2.82 |
|
O8 .0079 .2666 .1831 2.27 |
|
O9 .2099 .2551 .1765 1.68 |
|
O10 .1148 .3719 .3973 2.03 |
|
Wat1 .2203 .5 -.0155 .96 3.53 |
|
Wat2 .4264 .0745 .0244 .66 4.1 |
|
Wat3 .083 0 .873 .34 12.07 |
|
Wat4 0 .5 .5 8.0 |
|
Wat5 .0606 -.0376 .708 .33 3.6 |
|
Wat6 .0938 0 .285 .58 3.4 |
|
Wat7 .418 .459 .643 .14 4.9 |
|
Wat8 -.092 .601 .090 .24 4.7 |
|
Wat9 .067 0 .15.16 7.90 |
|
Wat10 .219 0 .90.07 7.90 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heulandite-K |
| |
Yang P, Armbruster T |
| |
Journal of Solid State Chemistry 123 (1996) 140-149 |
|
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure |
|
refinements at 100 K |
|
Sample: T = 100 K |
|
Locality: Nasik, India |
|
_database_code_amcsd 0013885 |
|
17.636 17.9340 7.397 90 116.00 90 C2/m |
|
atom x y z occ Biso |
|
K1 .0101 -.0967 .413 .26 12.3 |
|
K3 .7552 .5 -.0582 .90 2.29 |
|
K3' .290 0 .048 .06 3.8 |
|
K4 .0290 .5 .1708 .44 3.47 |
|
K4' .013 .5 .425 .10 3.95 |
|
K4" .5 0 .5 .16 3.95 |
|
Al1 .17999 .16907 .1019 .23 1.01 |
|
Si1 .17999 .16907 .1019 .77 1.01 |
|
Al2 .28612 .08907 .4982 .42 1.12 |
|
Si2 .28612 .08907 .4982 .58 1.12 |
|
Al3 .29382 .30981 .2857 .2 1.03 |
|
Si3 .29382 .30981 .2857 .8 1.03 |
|
Al4 .06515 .29789 .4134 .15 1.04 |
|
Si4 .06515 .29789 .4134 .85 1.04 |
|
Al5 0 .21625 0 .15 1.16 |
|
Si5 0 .21625 0 .85 1.16 |
|
O1 .3052 0 .5475 2.60 |
|
O2 .2302 .1192 .6140 2.24 |
|
O3 .1858 .1555 .8916 2.15 |
|
O4 .2321 .1018 .2510 1.99 |
|
O5 0 .3272 .5 2.69 |
|
O6 .0814 .1624 .0624 1.76 |
|
O7 .3789 .2709 .4521 2.56 |
|
O8 .0086 .2695 .1843 2.30 |
|
O9 .2160 .2504 .1968 1.91 |
|
O10 .1211 .3687 .4101 2.04 |
|
Wat1 .089 0 .018 .18 4.2 |
|
Wat2 .3991 -.0930 .0461 6.29 |
|
Wat3 -.0811 0 .216 .73 6.5 |
|
Wat4 0 0 0 .16 1.70 |
|
Wat5 .0753 0 .183 .98 4.1 |
|
Wat6 .513 0 .318 .12 .9 |
|
Wat7 .021 0 .07 .14 1.60 |
|
Wat8 .104 0 .480 .18 9.70 |
|
Wat9 0 .459 .02 .12 9.67 |
|
Wat10 .862 0 .316 .17 .9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rb9Al9Si27O72*17H2O |
| |
Yang P, Armbruster T |
| |
Journal of Solid State Chemistry 123 (1996) 140-149 |
|
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure |
|
refinements at 100 K |
|
Sample: T = 100 K |
|
Locality: Nasik, India |
|
_database_code_amcsd 0013886 |
|
17.6860 18.0070 7.403 90 116.15 90 C2/m |
|
atom x y z occ Biso |
|
Rb1 .0060 .8971 .415 .15 8.9 |
|
Rb2 -.0693 0 .825 .28 5.4 |
|
Rb2' .083 0 .245 .11 3.95 |
|
Rb3 .7509 .5 -.0657 .89 1.76 |
|
Rb3' .287 0 .024 .04 3.95 |
|
Rb4 -.0003 .5 .5637 .33 5.2 |
|
Rb4' .0299 .5 .158 .16 4.8 |
|
Al1 .17932 .17018 .1005 .23 .83 |
|
Si1 .17932 .17018 .1005 .77 .83 |
|
Al2 .28493 .08907 .4960 .42 1.01 |
|
Si2 .28493 .08907 .4960 .58 1.01 |
|
Al3 .29412 .30910 .2871 .2 .86 |
|
Si3 .29412 .30910 .2871 .8 .86 |
|
Al4 .06550 .29958 .4141 .15 .93 |
|
Si4 .06550 .29958 .4141 .85 .93 |
|
Al5 0 .2185 0 .15 1.02 |
|
Si5 0 .2185 0 .85 1.02 |
|
O1 .3019 0 .5427 2.4 |
|
O2 .2300 .1205 .6130 1.77 |
|
O3 .1838 .1567 .8892 1.92 |
|
O4 .2305 .1019 .2488 1.94 |
|
O5 0 .3291 .5 2.1 |
|
O6 .0811 .1646 .0615 1.64 |
|
O7 .3787 .2688 .4542 2.16 |
|
O8 .0089 .2723 .1837 2.05 |
|
O9 .2165 .2506 .1966 1.95 |
|
O10 .1215 .3708 .4143 2.04 |
|
Wat1 .091 0 .010 .2 7.90 |
|
Wat2 .4071 -.0908 .048 10.2 |
|
Wat3 -.065 0 .250 .81 9.7 |
|
Wat4 0 .543 0 .27 5.1 |
|
Wat5 -.066 .042 .693 .19 5.02 |
|
Wat6 .8606 0 .313 .38 .7 |
|
Wat7 -.018 0 .947 .3 .9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cs9Al9Si27O72*13H2O |
| |
Yang P, Armbruster T |
| |
Journal of Solid State Chemistry 123 (1996) 140-149 |
|
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure |
|
refinements at 100 K |
|
Sample: T = 100 K |
|
Locality: Nasik, India |
|
_database_code_amcsd 0013887 |
|
17.7600 18.0950 7.428 89.91 115.93 90.18 C-1 |
|
atom x y z occ Biso |
|
Cs1 .4950 .5982 .570 .14 4.5 |
|
Cs11 .5032 .5990 .442 .14 7.0 |
|
Cs2 -.0686 .0061 .7343 .35 4.02 |
|
Cs2' .0530 -.0017 .151 .14 5.6 |
|
Cs3 .7631 .4992 -.0530 .75 1.65 |
|
Cs3' .796 .5010 -.006 .14 2.4 |
|
Cs4 .0058 .5007 .5414 .42 2.62 |
|
Ca -.0489 .4997 -.196 .10 2.1 |
|
Si1 .17853 .16966 .0983 .92 .86 |
|
Al1 .17853 .16966 .0983 .08 .86 |
|
Si11 .17828 .82858 .0960 .84 .85 |
|
Al11 .17828 .82858 .0960 .16 .85 |
|
Si2 .28386 .08912 .4910 .74 .84 |
|
Al2 .28386 .08912 .4910 .26 .84 |
|
Si21 .28449 .91038 .4908 .3 1.01 |
|
Al21 .28449 .91038 .4908 .7 1.01 |
|
Si3 .29198 .30874 .2860 .68 .87 |
|
Al3 .29198 .30874 .2860 .32 .87 |
|
Si31 .29229 .69228 .2865 .93 .79 |
|
Al31 .29229 .69228 .2865 .07 .79 |
|
Si4 .06757 .29865 .4170 .77 .93 |
|
Al4 .06757 .29865 .4170 .23 .93 |
|
Si41 .06688 .69985 .4197 .96 .86 |
|
Al41 .06688 .69985 .4197 .04 .86 |
|
Si5 .00070 .21926 -.0026 .69 1.10 |
|
Al5 .00070 .21926 -.0026 .31 1.10 |
|
O1 .2989 .0014 .5329 1.88 |
|
O2 .2332 .1206 .6132 1.60 |
|
O21 .2305 .8777 .6132 1.50 |
|
O3 .1895 .1561 .8953 1.98 |
|
O31 .1858 .8403 .8877 2.17 |
|
O4 .2278 .1020 .2494 1.99 |
|
O41 .2298 .8956 .2431 2.11 |
|
O5 -.0016 .3254 .4936 1.81 |
|
O6 .0799 .1631 .0486 1.91 |
|
O61 .0807 .8346 .0521 2.14 |
|
O7 .3783 .2707 .4514 2.09 |
|
O71 .3742 .7339 .4485 2.32 |
|
O8 .0160 .2749 .1834 2.35 |
|
O81 .0130 .7286 .1946 2.16 |
|
O9 .2152 .2492 .1984 1.82 |
|
O91 .2144 .7483 .1924 1.88 |
|
O10 .1245 .3714 .4338 2.12 |
|
O101 .1195 .6283 .4200 2.03 |
|
Wat1 0 0 0 .39 3.95 |
|
Wat2 -.0720 .4144 .028 9.4 |
|
Wat21 -.0776 .5874 .034 10.0 |
|
Wat3 -.072 -.008 .219 .16 3.95 |
|
Wat3' -.063 .039 .249 .15 3.95 |
|
Wat3" -.057 -.044 .283 .13 3.95 |
|
Wat4 -.126 .003 .309 .23 3.95 |
|
Wat7 .057 .026 .289 .31 3.95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
