|
Zoisite |
 |
Dollase W A |
 |
American Mineralogist 53 (1968) 1882-1898 |
|
Refinement and comparison of the structures of zoisite and clinozoisite |
|
_database_code_amcsd 0000184 |
|
16.212 5.559 10.036 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca1 .3667 .25 .4376 .72 |
|
Ca2 .4518 .25 .1150 .85 |
|
Si1 .0816 .25 .1064 .3 |
|
Si2 .4104 .75 .2821 .4 |
|
Si3 .1601 .25 .4356 .6 |
|
Al12 .2496 .9971 .1899 .53 |
|
Al3 .1054 .75 .3006 .3 |
|
H .26 .25 .95 .5 |
|
O1 .1317 0 .1451 .4 |
|
O2 .1012 .015 .4300 .5 |
|
O3 .3584 .990 .2452 .4 |
|
O4 .2178 .75 .301 .4 |
|
O5 .2273 .25 .312 .2 |
|
O6 .2713 .75 .060 .3 |
|
O7 .9905 .25 .164 .4 |
|
O8 .9954 .75 .295 .6 |
|
O9 .4209 .75 .443 .7 |
|
O10 .2680 .25 .074 .7 |
|
|
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|
| |
|
Clinozoisite |
|
Dollase W A |
|
American Mineralogist 53 (1968) 1882-1898 |
|
Refinement and comparison of the structures of zoisite and clinozoisite |
|
_database_code_amcsd 0000185 |
|
8.879 5.583 10.155 90 115.50 90 P2_1/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .7617 .75 .1555 .0031 .0053 .0027 0 .0019 0 |
|
Ca2 .6063 .75 .4234 .0027 .0076 .0023 0 .0011 0 |
|
Si1 .3382 .75 .0478 .39 |
|
Si2 .6776 .25 .2753 .42 |
|
Si3 .1822 .75 .3158 .39 |
|
Al1 0 0 0 .43 |
|
Al2 0 0 .5 .41 |
|
Al3 .2873 .25 .2238 .45 |
|
H .046 .25 .341 .5 |
|
O1 .2346 .9972 .0452 .58 |
|
O2 .3004 .9867 .3509 .58 |
|
O3 .7874 .0128 .3471 .63 |
|
O4 .0551 .25 .1322 .44 |
|
O5 .0395 .75 .1433 .42 |
|
O6 .0596 .75 .4010 .45 |
|
O7 .5166 .75 .1779 .63 |
|
O8 .5090 .25 .2950 .92 |
|
O9 .6420 .25 .1042 .0058 .013 .0034 0 .0025 0 |
|
O10 .0751 .25 .4241 0.51 |
|
|
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|
| |
|
Piemontite |
|
Dollase W A |
|
American Mineralogist 54 (1969) 710-717 |
|
Crystal structure and cation ordering of piemontite |
|
_database_code_amcsd 0000191 |
|
8.878 5.692 10.201 90 115.40 90 P2_1/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .7574 .75 .1533 .77 .0044 .0065 .0025 0 .0025 0 |
|
Ca2 .5979 .75 .4250 .87 .81 .0029 .0104 .0014 0 .0005 0 |
|
Sr2 .5979 .75 .4250 .13 .81 .0029 .0104 .0014 0 .0005 0 |
|
Si1 .3410 .75 .0448 .52 |
|
Si2 .6846 .25 .2745 .51 |
|
Si3 .1855 .75 .3197 .35 |
|
Al1 0 0 0 .80 .47 |
|
Mn1 0 0 0 .14 .47 |
|
Fe1 0 0 0 .06 .47 |
|
Al2 0 0 .5 .56 |
|
Mn3 .2957 .25 .2216 .58 .39 .0009 .0036 .0014 0 .0004 0 |
|
Fe3 .2957 .25 .2216 .25 .39 .0009 .0036 .0014 0 .0004 0 |
|
Al3 .2957 .25 .2216 .17 .39 .0009 .0036 .0014 0 .0004 0 |
|
O1 .2330 .9912 .0356 .81 |
|
O2 .3058 .9795 .3550 .80 |
|
O3 .7963 .0163 .3378 .81 |
|
O4 .0588 .25 .1318 .59 |
|
O5 .0424 .75 .1473 .70 |
|
O6 .0686 .75 .4091 .62 |
|
O7 .5145 .75 .1805 .80 |
|
O8 .5276 .25 .3140 .92 |
|
O9 .6208 .25 .0986 .99 .0057 .015 .0023 0 .0030 0 |
|
O10 .0868 .25 .4330 .60 |
|
H1 .04 .25 .36 |
|
|
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|
| |
|
Epidote |
|
Dollase W A |
|
American Mineralogist 56 (1971) 447-464 |
|
Refinement of the crystal structures of epidote, allanite and hancockite |
|
_database_code_amcsd 0000226 |
|
8.914 5.640 10.162 90 115.4 90 P2_1/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .7562 .75 .1510 .76 .0037 .0055 .0023 0 .0018 0 |
|
Ca2 .6042 .75 .4241 .92 .0036 .0103 .0014 0 .0005 0 |
|
Si1 .3396 .75 .0473 .41 |
|
Si2 .6851 .25 .2744 .48 |
|
Si3 .1844 .75 .3189 .42 |
|
Al1 0 0 0 .93 .51 |
|
Fe1 0 0 0 .05 .51 |
|
Al2 0 0 .5 .43 |
|
Fe3 .2946 .25 .2245 .76 .42 .0016 .0030 .0012 0 .0004 0 |
|
Al3 .2946 .25 .2245 .24 .42 .0016 .0030 .0012 0 .0004 0 |
|
O1 .2339 .9923 .0410 .70 |
|
O2 .3040 .9809 .3554 .63 |
|
O3 .7957 .0152 .3382 .79 |
|
O4 .0528 .25 .1294 .6 |
|
O5 .0417 .75 .1471 .6 |
|
O6 .0683 .75 .4078 .5 |
|
O7 .5164 .75 .1825 .6 |
|
O8 .5281 .25 .3099 .9 |
|
O9 .6265 .25 .0990 1.0 |
|
OH10 .0838 .25 .4298 .7 |
|
|
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|
| |
|
Allanite-(Ce) |
|
Dollase W A |
|
American Mineralogist 56 (1971) 447-464 |
|
Refinement of the crystal structures of epidote, allanite and hancockite |
|
_database_code_amcsd 0000227 |
|
8.927 5.761 10.150 90 114.77 90 P2_1/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca1 .7585 .75 .1517 1.0 .0059 .0075 .0040 0 .0031 0 |
|
Ce2 .5936 .75 .4286 .74 .7 .0021 .0075 .0011 0 .0003 0 |
|
Ca2 .5936 .75 .4286 .26 .7 .0021 .0075 .0011 0 .0003 0 |
|
Si1 .3389 .75 .0369 .7 |
|
Si2 .6866 .25 .2799 .7 |
|
Si3 .1880 .75 .3240 .6 |
|
Al1 0 0 0 .66 .6 |
|
Fe1 0 0 0 .34 .6 |
|
Al2 0 0 .5 .6 |
|
Fe3 .3030 .25 .2148 .83 .9 .0022 .0069 .0032 0 .0007 0 |
|
Al3 .3030 .25 .2148 .17 .9 .0022 .0069 .0032 0 .0007 0 |
|
O1 .2339 .9892 .0263 1.3 |
|
O2 .3109 .9679 .3630 1.1 |
|
O3 .7962 .0144 .3376 1.0 |
|
O4 .0561 .25 .1306 1.2 |
|
O5 .0494 .75 .1529 1.2 |
|
O6 .0674 .75 .4119 .9 |
|
O7 .5070 .75 .1779 1.0 |
|
O8 .5396 .25 .3314 1.5 |
|
O9 .6134 .25 .1037 1.7 |
|
OH10 .0858 .25 .4280 1.2 |
|
|
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|
| |
|
Hancockite |
|
Dollase W A |
|
American Mineralogist 56 (1971) 447-464 |
|
Refinement of the crystal structures of epidote, allanite and hancockite |
|
_database_code_amcsd 0000228 |
|
8.958 5.665 10.304 90 114.4 90 P2_1/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .7639 .75 .1559 1.0 .0052 .0061 .0049 0 .0043 0 |
|
Pb .5898 .75 .4124 0.5 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Sr .5898 .75 .4124 .25 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Ca .5898 .75 .4124 .13 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Mn .5898 .75 .4124 .12 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Si1 .3370 .75 .0399 .9 |
|
Si2 .6872 .25 .2777 1.1 |
|
Si3 .1758 .75 .3119 1.0 |
|
Al1 0 0 0 .86 .9 |
|
Fe1 0 0 0 .14 .9 |
|
Al2 0 0 .5 .7 |
|
Fe3 .2903 .25 .2190 .84 .6 .0025 .0085 .0032 0 .0022 0 |
|
Al3 .2903 .25 .2190 .16 .6 .0025 .0085 .0032 0 .0022 0 |
|
O1 .235 .988 .040 1.1 |
|
O2 .290 .979 .342 1.1 |
|
O3 .796 .011 .347 1.6 |
|
O4 .052 .25 .129 .5 |
|
O5 .038 .75 .146 1.1 |
|
O6 .062 .75 .407 .9 |
|
O7 .517 .75 .169 1.7 |
|
O8 .524 .25 .309 1.8 |
|
O9 .642 .25 .110 1.5 |
|
OH10 .074 .25 .422 1.5 |
|
|
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|
| |
|
Epidote-(Pb) |
| |
Dollase W A |
|
American Mineralogist 56 (1971) 447-464 |
|
Refinement of the crystal structures of epidote, allanite and hancockite |
|
_database_code_amcsd 0000229 |
|
8.958 5.665 10.304 90 114.4 90 P2_1/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .7639 .75 .1559 1.0 .0052 .0061 .0049 0 .0043 0 |
|
Pb .5898 .75 .4124 0.5 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Sr .5898 .75 .4124 .25 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Ca .5898 .75 .4124 .13 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Mn .5898 .75 .4124 .12 1.1 .0037 .0136 .0033 0 .0027 0 |
|
Si1 .3370 .75 .0399 .9 |
|
Si2 .6872 .25 .2777 1.1 |
|
Si3 .1758 .75 .3119 1.0 |
|
Al1 0 0 0 .86 .9 |
|
Fe1 0 0 0 .14 .9 |
|
Al2 0 0 .5 .7 |
|
Fe3 .2903 .25 .2190 .84 .6 .0025 .0085 .0032 0 .0022 0 |
|
Al3 .2903 .25 .2190 .16 .6 .0025 .0085 .0032 0 .0022 0 |
|
O1 .235 .988 .040 1.1 |
|
O2 .290 .979 .342 1.1 |
|
O3 .796 .011 .347 1.6 |
|
O4 .052 .25 .129 .5 |
|
O5 .038 .75 .146 1.1 |
|
O6 .062 .75 .407 .9 |
|
O7 .517 .75 .169 1.7 |
|
O8 .524 .25 .309 1.8 |
|
O9 .642 .25 .110 1.5 |
|
OH10 .074 .25 .422 1.5 |
|
|
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|
| |
|
Tridymite |
|
Dollase W A, Baur W H |
|
American Mineralogist 61 (1976) 971-978 |
|
The superstructure of meteoritic low tridymite solved by computer simulation |
|
_database_code_amcsd 0000531 |
|
18.524 5.0032 23.810 90 105.82 90 Cc |
|
atom x y z Biso |
|
Si1 .5507 .541 .5642 .9 |
|
Si2 .7036 .947 .7374 1.2 |
|
Si3 .4198 .549 .6225 .7 |
|
Si4 .5751 .043 .7955 1.1 |
|
Si5 .9247 .548 .6971 .8 |
|
Si6 .7643 .944 .5386 .9 |
|
Si7 .8023 .449 .7661 .8 |
|
Si8 .6453 .041 .6027 .7 |
|
Si9 .8531 .463 .9016 1.0 |
|
Si10 .9493 .966 .9358 1.0 |
|
Si11 .7244 .559 .9605 .9 |
|
Si12 .5697 .549 .8702 1.1 |
|
O1 .5749 .351 .8182 1.2 |
|
O2 .5707 .840 .8476 1.5 |
|
O3 .7315 .138 .4851 1.8 |
|
O4 .7509 .644 .5152 1.7 |
|
O5 .4155 .352 .6741 2.9 |
|
O6 .4127 .852 .6434 1.9 |
|
O7 .8773 .164 .9213 1.8 |
|
O8 .9160 .668 .9361 2.4 |
|
O9 .7741 .145 .7538 1.8 |
|
O10 .7336 .643 .7402 2.2 |
|
O11 .6195 .341 .5847 1.2 |
|
O12 .5811 .843 .5661 1.9 |
|
O13 .4966 .511 .6062 2.7 |
|
O14 .3533 .489 .5665 1.0 |
|
O15 .6498 .005 .6711 1.8 |
|
O16 .6524 .996 .7805 2.0 |
|
O17 .8636 .499 .7328 1.8 |
|
O18 .8361 .503 .8333 2.6 |
|
O19 .5052 .993 .7398 1.8 |
|
O20 .6369 .511 .9268 2.9 |
|
O21 .9927 .992 .8868 1.4 |
|
O22 .5 .468 .5 2.2 |
|
O23 .7252 .991 .5898 2.3 |
|
O24 .7744 .521 .9155 1.5 |
|
|
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|
| |
|
KAlSiO4 |
| |
Dollase W A, Freeborn W P |
|
American Mineralogist 62 (1977) 336-340 |
|
The structure of KAlSiO4 with P6_3mc symmetry |
|
Note: natural sample of kalsilite was mixed with powdered KCl and heated, |
|
it tranformed to this phase |
|
Locality: Larvik, Norway |
|
_database_code_amcsd 0000574 |
|
5.153 5.153 8.682 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) |
|
K 0 0 1/4 .0193 .0193 .0045 .00965 0 0 |
|
Si 1/3 2/3 .437 .0063 .0063 .0035 .00315 0 0 |
|
Al 1/3 2/3 .056 .0110 .0110 .0031 .0055 0 0 |
|
O1 1/3 .720 .258 .333 0.9 |
|
O2 .614 .019 .993 .333 .0123 .0012 .0117 .0002 .0132 .0109 |
|
|
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|
| |
|
Huntite |
|
Dollase W A, Reeder R J |
|
American Mineralogist 71 (1986) 163-166 |
|
Crystal structure refinement of huntite, CaMg3(CO3)4, with X-ray powder data |
|
_database_code_amcsd 0001006 |
|
9.5027 9.5027 7.8212 90 90 120 R32 |
|
atom x y z Biso |
|
Ca 0 0 0 .94 |
|
Mg .5443 0 0 .94 |
|
C1 0 0 .5 .94 |
|
C2 .4535 0 .5 .94 |
|
O1 .8663 0 .5 .94 |
|
O2 .5895 0 .5 .94 |
|
O3 .4569 .1355 .5161 .94 |
|
|
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|
| |
|
Dolomite |
|
Reeder R J, Dollase W A |
|
American Mineralogist 74 (1989) 1159-1167 |
|
Structural variation in the dolomite-ankerite solid-solution series: An X-ray, |
|
Mossbauer, and TEM study |
|
sample BM 1931-294 |
|
_database_code_amcsd 0001272 |
|
4.8116 4.8116 16.0421 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
CaA 0 0 0 .944 0.0099 0.0099 .00068 .00495 0 0 |
|
FeA 0 0 0 .056 0.0099 0.0099 .00068 .00495 0 0 |
|
MgB 0 0 .5 .769 0.0077 0.0077 .00068 .00385 0 0 |
|
FeB 0 0 .5 .178 0.0077 0.0077 .00068 .00385 0 0 |
|
CaB 0 0 .5 .053 0.0077 0.0077 .00068 .00385 0 0 |
|
C 0 0 .24300 0.0080 0.0080 .00069 .0040 0 0 |
|
O .2485 -.0336 .24426 0.0100 0.0141 .00114 .0080 -.00065 -.00099 |
|
|
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|
| |
|
Ankerite |
|
Reeder R J, Dollase W A |
|
American Mineralogist 74 (1989) 1159-1167 |
|
Structural variation in the dolomite-ankerite solid-solution series: An X-ray, |
|
Mossbauer, and TEM study |
|
sample AMNH 6376 |
|
_database_code_amcsd 0001273 |
|
4.8240 4.8240 16.1217 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
CaA 0 0 0 .998 0.0105 0.0105 .00067 .00525 0 0 |
|
FeA 0 0 0 .002 0.0105 0.0105 .00067 .00525 0 0 |
|
MgB 0 0 .5 .451 0.0078 0.0078 .00062 .0039 0 0 |
|
FeB 0 0 .5 .540 0.0078 0.0078 .00062 .0039 0 0 |
|
CaB 0 0 .5 .009 0.0078 0.0078 .00062 .0039 0 0 |
|
C 0 0 .24360 0.0099 0.0099 .00070 .00495 0 0 |
|
O .2498 -.0300 .24471 0.0098 0.0159 .00123 0.0073 -.00024 -.00101 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ankerite |
|
Reeder R J, Dollase W A |
|
American Mineralogist 74 (1989) 1159-1167 |
|
Structural variation in the dolomite-ankerite solid-solution series: An X-ray, |
|
Mossbauer, and TEM study |
|
sample AMNH 8059 |
|
_database_code_amcsd 0001274 |
|
4.8312 4.8312 16.1663 90 90 120 R-3 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
CaA 0 0 0 .978 .01095 .01095 .000663 .005475 0 0 |
|
FeA 0 0 0 .022 .01095 .01095 .000663 .005475 0 0 |
|
MgB 0 0 .5 .273 .00804 .00804 .000633 .00402 0 0 |
|
FeB 0 0 .5 .708 .00804 .00804 .000633 .00402 0 0 |
|
CaB 0 0 .5 .019 .00804 .00804 .000633 .00402 0 0 |
|
C 0 0 .24395 0.0098 0.0098 0.00070 .0049 0 0 |
|
O .25045 -.02842 .24496 0.0114 0.0161 0.00122 .0089 -.00076 -.00106 |
|
|
| Download AMC data (View Text File)
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|
| |
|
BCTT |
| |
Dollase W A, Ross C R |
|
American Mineralogist 78 (1993) 627-632 |
|
Crystal structures of the body-centered tetragonal tectosilicates: |
|
K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 |
|
Sample: Mg-rich phase |
|
_database_code_amcsd 0001571 |
|
8.957 8.957 5.281 90 90 90 I4mm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K1 0 .5 .296 .64 .006 .017 .33 0 0 0 |
|
K2 0 0 .4979 .011 .011 .023 0 0 0 |
|
Mg .1805 .1805 0 .285 .008 .008 .021 -.001 .002 .002 |
|
Si .1805 .1805 0 .715 .008 .008 .021 -.001 .002 .002 |
|
O1 .2144 0 .0695 .027 .011 .052 0 .009 0 |
|
O2 .2889 .2889 .1914 .025 .025 .039 -.015 .009 .009 |
|
|
| Download AMC data (View Text File)
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|
| |
|
BCTT |
| |
Dollase W A, Ross C R |
|
American Mineralogist 78 (1993) 627-632 |
|
Crystal structures of the body-centered tetragonal tectosilicates: |
|
K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 |
|
Sample: Zn-rich phase |
|
_database_code_amcsd 0001572 |
|
8.939 8.939 5.246 90 90 90 I4mm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K1 0 .5 .324 .6 -.005 .018 .57 0 0 0 |
|
K2 0 0 .497 .014 .014 .027 0 0 0 |
|
Zn .1818 .1818 0 .275 .008 .008 .022 -.001 .007 .007 |
|
Si .1818 .1818 0 .725 .008 .008 .022 -.001 .007 .007 |
|
O1 .2182 0 .054 .014 .013 .178 0 .015 0 |
|
O2 .2872 .2872 .200 .019 .019 .059 -.005 -.009 -.009 |
|
|
| Download AMC data (View Text File)
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|
| |
|
BCTT |
| |
Dollase W A, Ross C R |
|
American Mineralogist 78 (1993) 627-632 |
|
Crystal structures of the body-centered tetragonal tectosilicates: |
|
K1.14Mg0.57Si1.43O4, K1.10Zn0.55Si1.45O4, and K1.11Fe1.11Si0.89O4 |
|
Sample: Fe-rich phase |
|
_database_code_amcsd 0001573 |
|
9.102 9.102 5.341 90 90 90 I4mm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
K1 0 .5 .316 .61 .004 .001 .48 0 0 0 |
|
K2 0 0 .496 .004 .004 .014 0 0 0 |
|
Fe .1818 .1818 0 .555 .006 .006 .021 -.001 -.005 -.005 |
|
Si .1818 .1818 0 .445 .006 .006 .021 -.001 -.005 -.005 |
|
O1 .2212 0 .079 .019 .005 .058 0 .005 0 |
|
O2 .2938 .2938 .180 .007 .007 .028 -.001 -.006 -.006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: SM1(900) was annealed at T = 900 C for t = 132 hrs, then quenched |
|
_database_code_amcsd 0007107 |
|
8.0778 8.0778 8.0778 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .640 .45 |
|
AlA .125 .125 .125 .360 .45 |
|
AlB .5 .5 .5 .820 .47 |
|
CuB .5 .5 .5 .180 .47 |
|
O .2603 .2603 .2603 .68 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: SM3(600) was annealed at T = 600 C for t = 26 hrs, then quenched |
|
_database_code_amcsd 0007108 |
|
8.0812 8.0812 8.0812 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .622 .34 |
|
AlA .125 .125 .125 .378 .34 |
|
AlB .5 .5 .5 .811 .47 |
|
CuB .5 .5 .5 .189 .47 |
|
O .2600 .2600 .2600 1.01 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 20 C |
|
_database_code_amcsd 0007109 |
|
8.081 8.081 8.081 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .648 .5 |
|
AlA .125 .125 .125 .352 .5 |
|
AlB .5 .5 .5 .824 .5 |
|
CuB .5 .5 .5 .176 .5 |
|
O .2615 .2615 .2615 .9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 100 C |
|
_database_code_amcsd 0007110 |
|
8.085 8.085 8.085 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .636 .6 |
|
AlA .125 .125 .125 .364 .6 |
|
AlB .5 .5 .5 .818 .6 |
|
CuB .5 .5 .5 .182 .6 |
|
O .2614 .2614 .2614 1 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 200 C |
|
_database_code_amcsd 0007111 |
|
8.092 8.092 8.092 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .639 .7 |
|
AlA .125 .125 .125 .361 .7 |
|
AlB .5 .5 .5 .8195 .7 |
|
CuB .5 .5 .5 .1805 .7 |
|
O .2614 .2614 .2614 1.1 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 300 C |
|
_database_code_amcsd 0007112 |
|
8.099 8.099 8.099 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .636 .8 |
|
AlA .125 .125 .125 .364 .8 |
|
AlB .5 .5 .5 .818 .8 |
|
CuB .5 .5 .5 .182 .8 |
|
O .2613 .2613 .2613 1.1 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 400 C |
|
_database_code_amcsd 0007113 |
|
8.105 8.105 8.105 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .636 .9 |
|
AlA .125 .125 .125 .364 .9 |
|
AlB .5 .5 .5 .818 .9 |
|
CuB .5 .5 .5 .182 .9 |
|
O .2614 .2614 .2614 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 500 C |
|
_database_code_amcsd 0007114 |
|
8.111 8.111 8.111 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .629 1 |
|
AlA .125 .125 .125 .371 1 |
|
AlB .5 .5 .5 .8145 1 |
|
CuB .5 .5 .5 .1855 1 |
|
O .2614 .2614 .2614 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 600 C |
|
_database_code_amcsd 0007115 |
|
8.119 8.119 8.119 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .633 1.1 |
|
AlA .125 .125 .125 .367 1.1 |
|
AlB .5 .5 .5 .8165 1.1 |
|
CuB .5 .5 .5 .1835 1.1 |
|
O .2615 .2615 .2615 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
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 700 C |
|
_database_code_amcsd 0007116 |
|
8.127 8.127 8.127 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .619 1.3 |
|
AlA .125 .125 .125 .381 1.3 |
|
AlB .5 .5 .5 .8095 1.3 |
|
CuB .5 .5 .5 .1905 1.3 |
|
O .2614 .2614 .2614 1.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 800 C |
|
_database_code_amcsd 0007117 |
|
8.136 8.136 8.136 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .615 1.4 |
|
AlA .125 .125 .125 .385 1.4 |
|
AlB .5 .5 .5 .8075 1.4 |
|
CuB .5 .5 .5 .1925 1.4 |
|
O .2614 .2614 .2614 1.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 900 C |
|
_database_code_amcsd 0007118 |
|
8.144 8.144 8.144 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .598 1.6 |
|
AlA .125 .125 .125 .402 1.6 |
|
AlB .5 .5 .5 .799 1.6 |
|
CuB .5 .5 .5 .201 1.6 |
|
O .2611 .2611 .2611 1.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CuAl2O4 |
| |
O'Neill H St C, James M, Dollase W A, Redfern S A T |
| |
European Journal of Mineralogy 17 (2005) 581-586 |
|
Temperature dependence of the cation distribution in CuAl2O4 spinel |
|
Sample: T = 1000 C |
|
_database_code_amcsd 0007119 |
|
8.153 8.153 8.153 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
CuA .125 .125 .125 .595 1.6 |
|
AlA .125 .125 .125 .405 1.6 |
|
AlB .5 .5 .5 .7975 1.6 |
|
CuB .5 .5 .5 .2025 1.6 |
|
O .2611 .2611 .2611 1.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007534 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .13 .38 |
|
Al .125 .125 .125 .87 .38 |
|
Al .5 .5 .5 .565 .38 |
|
Ni .5 .5 .5 .435 .38 |
|
O .2549 .2549 .2549 .87 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007535 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .132 .33 |
|
Al .125 .125 .125 .868 .33 |
|
Al .5 .5 .5 .566 .33 |
|
Ni .5 .5 .5 .434 .33 |
|
O .2549 .2549 .2549 .85 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 43h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007536 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .138 .34 |
|
Al .125 .125 .125 .862 .34 |
|
Al .5 .5 .5 .569 .34 |
|
Ni .5 .5 .5 .431 .34 |
|
O .2553 .2553 .2553 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007537 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .127 .30 |
|
Al .125 .125 .125 .873 .30 |
|
Al .5 .5 .5 .5635 .30 |
|
Ni .5 .5 .5 .4365 .30 |
|
O .2548 .2548 .2548 .84 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007538 |
|
8.0468 8.0468 8.0468 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .139 .37 |
|
Al .125 .125 .125 .861 .37 |
|
Al .5 .5 .5 .5695 .37 |
|
Ni .5 .5 .5 .4305 .37 |
|
O .2556 .2556 .2556 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 901 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007539 |
|
8.0473 8.0473 8.0473 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .152 .44 |
|
Al .125 .125 .125 .848 .44 |
|
Al .5 .5 .5 .576 .44 |
|
Ni .5 .5 .5 .424 .44 |
|
O .2551 .2551 .2551 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 950 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007540 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .16 .28 |
|
Al .125 .125 .125 .84 .28 |
|
Al .5 .5 .5 .58 .28 |
|
Ni .5 .5 .5 .42 .28 |
|
O .2556 .2556 .2556 .81 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1000 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007541 |
|
8.0488 8.0488 8.0488 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .165 .35 |
|
Al .125 .125 .125 .835 .35 |
|
Al .5 .5 .5 .5825 .35 |
|
Ni .5 .5 .5 .4175 .35 |
|
O .2552 .2552 .2552 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1050 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007542 |
|
8.0497 8.0497 8.0497 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .18 .28 |
|
Al .125 .125 .125 .82 .28 |
|
Al .5 .5 .5 .59 .28 |
|
Ni .5 .5 .5 .41 .28 |
|
O .2555 .2555 .2555 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1100 C, held for 35m, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007543 |
|
8.0504 8.0504 8.0504 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .187 .37 |
|
Al .125 .125 .125 .813 .37 |
|
Al .5 .5 .5 .5935 .37 |
|
Ni .5 .5 .5 .4065 .37 |
|
O .2558 .2558 .2558 .93 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1150 C, held for 5m, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007544 |
|
8.0511 8.0511 8.0511 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .192 .40 |
|
Al .125 .125 .125 .808 .40 |
|
Al .5 .5 .5 .596 .40 |
|
Ni .5 .5 .5 .404 .40 |
|
O .2556 .2556 .2556 1.00 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1200 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007545 |
|
8.0517 8.0517 8.0517 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .196 .43 |
|
Al .125 .125 .125 .804 .43 |
|
Al .5 .5 .5 .598 .43 |
|
Ni .5 .5 .5 .402 .43 |
|
O .2556 .2556 .2556 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 1 |
|
_database_code_amcsd 0007546 |
|
8.0522 8.0522 8.0522 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .206 .39 |
|
Al .125 .125 .125 .794 .39 |
|
Al .5 .5 .5 .603 .39 |
|
Ni .5 .5 .5 .397 .39 |
|
O .2558 .2558 .2558 .96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 700 C, held for 43d, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007547 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .132 .62 |
|
Al .125 .125 .125 .868 .62 |
|
Al .5 .5 .5 .566 .62 |
|
Ni .5 .5 .5 .434 .62 |
|
O .2550 .2550 .2550 1.11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 80h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007548 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .14 .65 |
|
Al .125 .125 .125 .86 .65 |
|
Al .5 .5 .5 .57 .65 |
|
Ni .5 .5 .5 .43 .65 |
|
O .2552 .2552 .2552 1.11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 43h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007549 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .141 .58 |
|
Al .125 .125 .125 .859 .58 |
|
Al .5 .5 .5 .5705 .58 |
|
Ni .5 .5 .5 .4295 .58 |
|
O .2552 .2552 .2552 1.03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 800 C, held for 11d, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007550 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .137 .60 |
|
Al .125 .125 .125 .863 .60 |
|
Al .5 .5 .5 .5685 .60 |
|
Ni .5 .5 .5 .4315 .60 |
|
O .2553 .2553 .2553 1.06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007551 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .147 .46 |
|
Al .125 .125 .125 .853 .46 |
|
Al .5 .5 .5 .5735 .46 |
|
Ni .5 .5 .5 .4265 .46 |
|
O .2552 .2552 .2552 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 901 C, held for 16h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007552 |
|
8.0473 8.0473 8.0473 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .153 .75 |
|
Al .125 .125 .125 .847 .75 |
|
Al .5 .5 .5 .5765 .75 |
|
Ni .5 .5 .5 .4235 .75 |
|
O .2555 .2555 .2555 1.23 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 950 C, held for 16h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007553 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .158 .44 |
|
Al .125 .125 .125 .842 .44 |
|
Al .5 .5 .5 .579 .44 |
|
Ni .5 .5 .5 .421 .44 |
|
O .2556 .2556 .2556 .93 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007554 |
|
8.0488 8.0488 8.0488 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .17 .80 |
|
Al .125 .125 .125 .83 .80 |
|
Al .5 .5 .5 .585 .80 |
|
Ni .5 .5 .5 .415 .80 |
|
O .2556 .2556 .2556 1.25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1050 C, held for 1h, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007555 |
|
8.0497 8.0497 8.0497 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .178 .66 |
|
Al .125 .125 .125 .822 .66 |
|
Al .5 .5 .5 .589 .66 |
|
Ni .5 .5 .5 .411 .66 |
|
O .2557 .2557 .2557 1.15 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007556 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .188 .71 |
|
Al .125 .125 .125 .812 .71 |
|
Al .5 .5 .5 .594 .71 |
|
Ni .5 .5 .5 .406 .71 |
|
O .2559 .2559 .2559 1.20 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1150 C, held for 5m, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007557 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .196 .53 |
|
Al .125 .125 .125 .804 .53 |
|
Al .5 .5 .5 .598 .53 |
|
Ni .5 .5 .5 .402 .53 |
|
O .2558 .2558 .2558 1.05 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1200 C, held for 10m, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007558 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .203 .61 |
|
Al .125 .125 .125 .797 .61 |
|
Al .5 .5 .5 .6015 .61 |
|
Ni .5 .5 .5 .3985 .61 |
|
O .2558 .2558 .2558 1.11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1250 C, held for 10m, UCLA (Cu), Model 1 |
|
_database_code_amcsd 0007559 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .211 .62 |
|
Al .125 .125 .125 .789 .62 |
|
Al .5 .5 .5 .6055 .62 |
|
Ni .5 .5 .5 .3945 .62 |
|
O .2561 .2561 .2561 1.09 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007560 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .129 .38 |
|
Al .125 .125 .125 .871 .38 |
|
Al .5 .5 .5 .5645 .38 |
|
Ni .5 .5 .5 .4355 .38 |
|
O .2549 .2549 .2549 .87 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007561 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .138 .38 |
|
Al .125 .125 .125 .862 .38 |
|
Al .5 .5 .5 .569 .31 |
|
Ni .5 .5 .5 .431 .31 |
|
O .2549 .2549 .2549 .85 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007562 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .133 .33 |
|
Al .125 .125 .125 .867 .33 |
|
Al .5 .5 .5 .5665 .29 |
|
Ni .5 .5 .5 .4335 .29 |
|
O .2548 .2548 .2548 .85 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007563 |
|
8.0468 8.0468 8.0468 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .144 .40 |
|
Al .125 .125 .125 .856 .40 |
|
Al .5 .5 .5 .572 .36 |
|
Ni .5 .5 .5 .428 .36 |
|
O .2556 .2556 .2556 .87 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 901 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007564 |
|
8.0473 8.0473 8.0473 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .153 .45 |
|
Al .125 .125 .125 .847 .45 |
|
Al .5 .5 .5 .5765 .44 |
|
Ni .5 .5 .5 .4235 .44 |
|
O .2551 .2551 .2551 1.02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 950 C, held for 16h, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007565 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .172 .37 |
|
Al .125 .125 .125 .828 .37 |
|
Al .5 .5 .5 .586 .24 |
|
Ni .5 .5 .5 .414 .24 |
|
O .2556 .2556 .2556 .83 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1000 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007566 |
|
8.0488 8.0488 8.0488 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .171 .39 |
|
Al .125 .125 .125 .829 .39 |
|
Al .5 .5 .5 .5855 .33 |
|
Ni .5 .5 .5 .4145 .33 |
|
O .2552 .2552 .2552 .95 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1050 C, held for 1h, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007567 |
|
8.0497 8.0497 8.0497 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .183 .31 |
|
Al .125 .125 .125 .817 .31 |
|
Al .5 .5 .5 .5915 .28 |
|
Ni .5 .5 .5 .4085 .28 |
|
O .2555 .2555 .2555 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1100 C, held for 35m, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007568 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .193 .42 |
|
Al .125 .125 .125 .807 .42 |
|
Al .5 .5 .5 .5965 .36 |
|
Ni .5 .5 .5 .4035 .36 |
|
O .2558 .2558 .2558 .94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1150 C, held for 5m, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007569 |
|
8.0511 8.0511 8.0511 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .204 .49 |
|
Al .125 .125 .125 .796 .49 |
|
Al .5 .5 .5 .602 .37 |
|
Ni .5 .5 .5 .389 .37 |
|
O .2556 .2556 .2556 1.01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1200 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007570 |
|
8.0517 8.0517 8.0517 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .206 .50 |
|
Al .125 .125 .125 .794 .50 |
|
Al .5 .5 .5 .603 .41 |
|
Ni .5 .5 .5 .397 .41 |
|
O .2556 .2556 .2556 1.03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1250 C, held for 10m, Bayerisheches Geoinstitut (Mo), Model 2 |
|
_database_code_amcsd 0007571 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .212 .43 |
|
Al .125 .125 .125 .788 .43 |
|
Al .5 .5 .5 .606 .37 |
|
Ni .5 .5 .5 .394 .37 |
|
O .2558 .2558 .2558 .97 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 700 C, held for 43d, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007572 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .136 .65 |
|
Al .125 .125 .125 .864 .65 |
|
Al .5 .5 .5 .568 .62 |
|
Ni .5 .5 .5 .432 .62 |
|
O .2550 .2550 .2550 1.11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 80h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007573 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .143 .67 |
|
Al .125 .125 .125 .857 .67 |
|
Al .5 .5 .5 .5715 .64 |
|
Ni .5 .5 .5 .4285 .64 |
|
O .2552 .2552 .2552 1.11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 43h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007574 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .142 .59 |
|
Al .125 .125 .125 .858 .59 |
|
Al .5 .5 .5 .571 .58 |
|
Ni .5 .5 .5 .429 .58 |
|
O .2553 .2553 .2553 1.03 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 800 C, held for 11d, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007575 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .141 .63 |
|
Al .125 .125 .125 .859 .63 |
|
Al .5 .5 .5 .5705 .60 |
|
Ni .5 .5 .5 .4295 .60 |
|
O .2553 .2553 .2553 1.06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 850 C, held for 49h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007576 |
|
8.0468 8.0468 8.0468 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .155 .52 |
|
Al .125 .125 .125 .845 .52 |
|
Al .5 .5 .5 .5775 .45 |
|
Ni .5 .5 .5 .4225 .45 |
|
O .2553 .2553 .2553 .96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 901 C, held for 16h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007577 |
|
8.0473 8.0473 8.0473 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .152 .75 |
|
Al .125 .125 .125 .848 .75 |
|
Al .5 .5 .5 .576 .75 |
|
Ni .5 .5 .5 .424 .75 |
|
O .2555 .2555 .2555 1.23 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 950 C, held for 16h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007578 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .157 .44 |
|
Al .125 .125 .125 .843 .44 |
|
Al .5 .5 .5 .5785 .45 |
|
Ni .5 .5 .5 .4215 .45 |
|
O .2556 .2556 .2556 .93 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1000 C, held for 1h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007579 |
|
8.0488 8.0488 8.0488 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .174 .83 |
|
Al .125 .125 .125 .826 .83 |
|
Al .5 .5 .5 .587 .79 |
|
Ni .5 .5 .5 .413 .79 |
|
O .2557 .2557 .2557 1.25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1050 C, held for 1h, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007580 |
|
8.0497 8.0497 8.0497 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .18 .67 |
|
Al .125 .125 .125 .82 .67 |
|
Al .5 .5 .5 .59 .66 |
|
Ni .5 .5 .5 .41 .66 |
|
O .2557 .2557 .2557 1.15 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1100 C, held for 35m, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007581 |
|
8.0504 8.0504 8.0504 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .19 .73 |
|
Al .125 .125 .125 .81 .73 |
|
Al .5 .5 .5 .595 .71 |
|
Ni .5 .5 .5 .405 .71 |
|
O .2559 .2559 .2559 1.20 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1150 C, held for 5m, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007582 |
|
8.0511 8.0511 8.0511 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .202 .58 |
|
Al .125 .125 .125 .798 .58 |
|
Al .5 .5 .5 .601 .53 |
|
Ni .5 .5 .5 .399 .53 |
|
O .2559 .2559 .2559 1.06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1200 C, held for 10m, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007583 |
|
8.0517 8.0517 8.0517 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .206 .63 |
|
Al .125 .125 .125 .794 .63 |
|
Al .5 .5 .5 .603 .60 |
|
Ni .5 .5 .5 .397 .60 |
|
O .2558 .2558 .2558 1.12 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1250 C, held for 10m, UCLA (Cu), Model 2 |
|
_database_code_amcsd 0007584 |
|
8.0522 8.0522 8.0522 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .215 .65 |
|
Al .125 .125 .125 .785 .65 |
|
Al .5 .5 .5 .6075 .62 |
|
Ni .5 .5 .5 .3925 .62 |
|
O .2562 .2562 .2562 1.09 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 700 C, held for 43d, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007585 |
|
8.0452 8.0452 8.0452 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .13 .34 |
|
Al .125 .125 .125 .87 .34 |
|
Al .5 .5 .5 .565 .33 |
|
Ni .5 .5 .5 .435 .33 |
|
O .2554 .2554 .2554 .74 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 80h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007586 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .135 .40 |
|
Al .125 .125 .125 .865 .40 |
|
Al .5 .5 .5 .5675 .35 |
|
Ni .5 .5 .5 .4325 .35 |
|
O .2553 .2553 .2553 .74 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 750 C, held for 43h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007587 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .133 .33 |
|
Al .125 .125 .125 .867 .33 |
|
Al .5 .5 .5 .5665 .41 |
|
Ni .5 .5 .5 .4335 .41 |
|
O .2556 .2556 .2556 .73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 800 C, held for 11d, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007588 |
|
8.0460 8.0460 8.0460 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .134 .28 |
|
Al .125 .125 .125 .866 .28 |
|
Al .5 .5 .5 .567 .26 |
|
Ni .5 .5 .5 .433 .26 |
|
O .2555 .2555 .2555 .72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 850 C, held for 49h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007589 |
|
8.0468 8.0468 8.0468 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .147 .38 |
|
Al .125 .125 .125 .853 .38 |
|
Al .5 .5 .5 .5735 .39 |
|
Ni .5 .5 .5 .4265 .39 |
|
O .2557 .2557 .2557 .71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 901 C, held for 16h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007590 |
|
8.0473 8.0473 8.0473 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .15 .45 |
|
Al .125 .125 .125 .85 .45 |
|
Al .5 .5 .5 .575 .48 |
|
Ni .5 .5 .5 .425 .48 |
|
O .2553 .2553 .2553 .93 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 950 C, held for 16h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007591 |
|
8.0481 8.0481 8.0481 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .158 .33 |
|
Al .125 .125 .125 .842 .33 |
|
Al .5 .5 .5 .579 .30 |
|
Ni .5 .5 .5 .421 .30 |
|
O .2559 .2559 .2559 .77 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1000 C, held for 1h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007592 |
|
8.0488 8.0488 8.0488 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .166 .36 |
|
Al .125 .125 .125 .834 .36 |
|
Al .5 .5 .5 .583 .35 |
|
Ni .5 .5 .5 .417 .35 |
|
O .2559 .2559 .2559 .81 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1050 C, held for 1h, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007593 |
|
8.0497 8.0497 8.0497 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .176 .28 |
|
Al .125 .125 .125 .824 .28 |
|
Al .5 .5 .5 .588 .30 |
|
Ni .5 .5 .5 .412 .30 |
|
O .2557 .2557 .2557 .71 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1100 C, held for 35m, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007594 |
|
8.0504 8.0504 8.0504 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .188 .43 |
|
Al .125 .125 .125 .812 .43 |
|
Al .5 .5 .5 .594 .40 |
|
Ni .5 .5 .5 .406 .40 |
|
O .2562 .2562 .2562 .84 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1150 C, held for 5m, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007595 |
|
8.0511 8.0511 8.0511 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .196 .44 |
|
Al .125 .125 .125 .804 .44 |
|
Al .5 .5 .5 .598 .38 |
|
Ni .5 .5 .5 .402 .38 |
|
O .2564 .2564 .2564 .86 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1200 C, held for 10m, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007596 |
|
8.0517 8.0517 8.0517 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .204 .46 |
|
Al .125 .125 .125 .796 .46 |
|
Al .5 .5 .5 .602 .43 |
|
Ni .5 .5 .5 .398 .43 |
|
O .2563 .2563 .2563 .91 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1250 C, held for 10m, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007597 |
|
8.0522 8.0522 8.0522 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .211 .38 |
|
Al .125 .125 .125 .789 .38 |
|
Al .5 .5 .5 .6055 .37 |
|
Ni .5 .5 .5 .3945 .37 |
|
O .2562 .2562 .2562 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1300 C, held for 5m, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007598 |
|
8.0521 8.0521 8.0521 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .209 .29 |
|
Al .125 .125 .125 .791 .29 |
|
Al .5 .5 .5 .6045 .27 |
|
Ni .5 .5 .5 .3955 .27 |
|
O .2564 .2564 .2564 .76 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1350 C, held for 5m, Samples from batch of material called "1300" |
|
_database_code_amcsd 0007599 |
|
8.0531 8.0531 8.0531 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .225 .29 |
|
Al .125 .125 .125 .775 .29 |
|
Al .5 .5 .5 .6125 .28 |
|
Ni .5 .5 .5 .3875 .28 |
|
O .2566 .2566 .2566 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 800 C, held for 11d, "600", MoKalpha1 at the Bayerisches Geoinstitut |
|
_database_code_amcsd 0007600 |
|
8.0458 8.0458 8.0458 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .139 .34 |
|
Al .125 .125 .125 .861 .34 |
|
Al .5 .5 .5 .5695 .30 |
|
Ni .5 .5 .5 .4305 .30 |
|
O .2554 .2554 .2554 .72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 900 C, held for 10d, "600", MoKalpha1 at the Bayerisches Geoinstitut |
|
_database_code_amcsd 0007601 |
|
8.0473 8.0473 8.0473 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .152 .34 |
|
Al .125 .125 .125 .848 .34 |
|
Al .5 .5 .5 .576 .30 |
|
Ni .5 .5 .5 .424 .30 |
|
O .2557 .2557 .2557 .77 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1050 C, held for 35m, "600", MoKalpha1 at the Bayerisches Geoinstitut |
|
_database_code_amcsd 0007602 |
|
8.0458 8.0458 8.0458 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .176 .27 |
|
Al .125 .125 .125 .824 .27 |
|
Al .5 .5 .5 .588 .28 |
|
Ni .5 .5 .5 .412 .28 |
|
O .2557 .2557 .2557 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1349 C, held for 5m, "600", MoKalpha1 at the Bayerisches Geoinstitut |
|
_database_code_amcsd 0007603 |
|
8.0517 8.0517 8.0517 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .208 .34 |
|
Al .125 .125 .125 .792 .34 |
|
Al .5 .5 .5 .604 .31 |
|
Ni .5 .5 .5 .396 .31 |
|
O .2563 .2563 .2563 .81 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
NiAl2O4 |
| |
O'Neill H St C, Dollase W A, Ross C R |
| |
Physics and Chemistry of Minerals 18 (1991) 302-319 |
|
Temperature dependence of the cation distribution in nickel |
|
aluminate (NiAl2O4) spinel: a powder XRD study |
|
Sample: quenched from 1400 C, held for 5m, "600", MoKalpha1 at the Bayerisches Geoinstitut |
|
_database_code_amcsd 0007604 |
|
8.0524 8.0524 8.0524 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ni .125 .125 .125 .218 .32 |
|
Al .125 .125 .125 .782 .32 |
|
Al .5 .5 .5 .609 .31 |
|
Ni .5 .5 .5 .391 .31 |
|
O .2564 .2564 .2564 .79 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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