American Mineralogist Crystal Structure Database

214 matching records for this search.

Zoisite
Download hom/zoisite.pdf
Dollase W A
Download am/vol53/AM53_1882.pdf
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
Download hom/clinozoisite.pdf
Dollase W A
Download am/vol53/AM53_1882.pdf
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
Download hom/piemontite.pdf
Dollase W A
Download am/vol54/AM54_710.pdf
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
Download hom/epidote.pdf
Dollase W A
Download am/vol56/AM56_447.pdf
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)
Download hom/allanitece.pdf
Dollase W A
Download am/vol56/AM56_447.pdf
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
Download hom/hancockite.pdf
Dollase W A
Download am/vol56/AM56_447.pdf
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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View JMOL 3-D Structure (permalink)
 
Epidote-(Pb)
 
Dollase W A
Download am/vol56/AM56_447.pdf
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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View JMOL 3-D Structure (permalink)
 
Tridymite
Download hom/tridymite.pdf
Dollase W A, Baur W H
Download am/vol61/AM61_971.pdf
American Mineralogist 61 (1976) 971-978
The superstructure of meteoritic low tridymite solved by computer simulation
Locality: Steinbach meteorite, Saxony, Germany
_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
Download am/vol62/AM62_336.pdf
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
Download hom/huntite.pdf
Dollase W A, Reeder R J
Download am/vol71/AM71_163.pdf
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
Download hom/dolomite.pdf
Reeder R J, Dollase W A
Download am/vol74/AM74_1159.pdf
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
Download hom/ankerite.pdf
Reeder R J, Dollase W A
Download am/vol74/AM74_1159.pdf
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
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Ankerite
Download hom/ankerite.pdf
Reeder R J, Dollase W A
Download am/vol74/AM74_1159.pdf
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
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BCTT
 
Dollase W A, Ross C R
Download am/vol78/AM78_627.pdf
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
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BCTT
 
Dollase W A, Ross C R
Download am/vol78/AM78_627.pdf
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
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BCTT
 
Dollase W A, Ross C R
Download am/vol78/AM78_627.pdf
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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View JMOL 3-D Structure (permalink)
 
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