|
Loveringite |
 |
Gatehouse B M, Grey I E, Campbell I H, Kelly P R |
 |
American Mineralogist 63 (1978) 28-36 |
|
The crystal structure of loveringite - a new member of the crichtonite group |
|
_database_code_amcsd 0000609 |
|
9.117 9.117 9.117 69.07 69.07 69.07 R-3 |
|
atom x y z occ Biso |
|
Ca0 0 0 0 .72 2.11 |
|
La0 0 0 0 .23 2.11 |
|
U0 0 0 0 .05 2.11 |
|
Zr1 .5 .5 .5 .58 .77 |
|
La1 .5 .5 .5 .10 .77 |
|
Mg1 .5 .5 .5 .32 .77 |
|
Mg2 .31090 .31090 .31090 .30 .69 |
|
Fe2 .31090 .31090 .31090 .62 .69 |
|
Cr3 .34754 .12318 .02156 .373 .72 |
|
V3 .34754 .12318 .02156 .035 .72 |
|
Fe3 .34754 .12318 .02156 .365 .72 |
|
Ti3 .34754 .12318 .02156 .143 .72 |
|
Ti4 .30841 .72081 .14588 .968 .63 |
|
Al4 .30841 .72081 .14588 .032 .63 |
|
Ti5 .47612 .08155 .63977 .968 .75 |
|
Al5 .47612 .08155 .63977 .032 .75 |
|
O1 .3058 .6269 .3801 .92 |
|
O2 .1523 .2378 .9393 1.14 |
|
O3 .9211 .4571 .3002 .47 |
|
O4 .1427 .5149 .9908 1.16 |
|
O5 .3901 .4896 .1345 1.11 |
|
O6 .7104 .2410 .0699 .55 |
|
O7 .2120 .2120 .2120 .55 |
|
|
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| |
|
Davidite-(La) |
|
Gatehouse B M, Grey I E, Kelly P R |
|
American Mineralogist 64 (1979) 1010-1017 |
|
The crystal structure of davidite |
|
_database_code_amcsd 0000749 |
|
9.190 9.190 9.190 68.73 68.73 68.73 R-3 |
|
atom x y z occ Biso |
|
La(0) 0 0 0 .540 1.17 |
|
Ca(0) 0 0 0 .200 1.17 |
|
Sr(0) 0 0 0 .090 1.17 |
|
La(1) .5 .5 .5 .370 0.53 |
|
U(1) .5 .5 .5 .330 0.53 |
|
Y(1) .5 .5 .5 .300 0.53 |
|
Fe(2) .3090 .3090 .3090 .790 0.47 |
|
Mg(2) .3090 .3090 .3090 .120 0.47 |
|
Fe(3) .3474 .1269 .0184 .762 0.51 |
|
Ti(3) .3474 .1269 .0184 .112 0.51 |
|
Cr(3) .3474 .1269 .0184 .035 0.51 |
|
Ti(4) .3086 .7218 .1448 0.34 |
|
Ti(5) .4749 .0775 .6444 0.30 |
|
O(1) .2999 .6300 .3765 0.54 |
|
O(2) .1486 .2347 .9391 0.49 |
|
O(3) .9192 .4574 .3025 0.43 |
|
O(4) .1446 .5137 .9897 0.55 |
|
O(5) .3891 .4869 .1345 0.52 |
|
O(6) .7131 .2404 .0688 0.48 |
|
O(7) .2134 .2134 .2134 0.59 |
|
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| |
|
Ferronigerite-6N6S |
|
Grey I E, Gatehouse B M |
|
American Mineralogist 64 (1979) 1255-1264 |
|
The crystal structure of nigerite-24R |
|
Locality: Mt Garnet, northern Queensland, Australia |
|
_database_code_amcsd 0000754 |
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18.826 18.826 18.826 17.508 17.508 17.508 R-3m |
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atom x y z occ Biso |
|
Al(1) .5 0 .5 .7 0.24 |
|
Sn(2) .28684 .28684 .28684 0.31 |
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Al(3) .03070 .03070 .03070 .6 0.52 |
|
Fe(3) .03070 .03070 .03070 .4 0.52 |
|
Al(4) .75013 .75013 .25328 0.35 |
|
Al(5) .12488 .12488 .12488 0.22 |
|
Fe(6) .53153 .53153 .53153 .5 0.39 |
|
Zn(6) .53153 .53153 .53153 .4 0.39 |
|
Al(6) .53153 .53153 .53153 .1 0.39 |
|
Fe(7) .22047 .22047 .22047 .5 0.66 |
|
Zn(7) .22047 .22047 .22047 .3 0.66 |
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Al(7) .22047 .22047 .22047 .2 0.66 |
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Al(8) 0 0 .5 0.33 |
|
O(1) .1558 .1558 .6257 0.94 |
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OH(2) .3504 .3504 .3504 0.91 |
|
O(3) .4420 .4420 .9213 0.98 |
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O(4) .0644 .0644 .0644 0.88 |
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O(5) .0439 .0439 .6026 0.82 |
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O(6) .5666 .5666 .5666 0.26 |
|
O(7) .7056 .7056 .1467 0.97 |
|
O(8) .1844 .1844 .1844 0.72 |
|
|
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| |
|
Magnesiohogbomite-2N2S |
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Gatehouse B M, Grey I E |
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American Mineralogist 67 (1982) 373-380 |
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The crystal structure of hogbomite-8H |
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_database_code_amcsd 0000865 |
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5.734 5.734 18.389 90 90 120 P6_3mc |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .6720 .8360 .9427 0.0037 0.0037 0.0052 0.0012 0.0005 -.0005 |
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Fe2 0 0 .7990 .15 0.0023 0.0023 0.0027 0.0011 0 0 |
|
Fe2 0 0 .7990 .35 0.0023 0.0023 0.0027 0.0011 0 0 |
|
Ti2 0 0 .7990 .50 0.0023 0.0023 0.0027 0.0011 0 0 |
|
Al3 2/3 1/3 .8529 .35 0.0054 0.0054 0.0050 0.0027 0 0 |
|
Fe3 2/3 1/3 .8529 .40 0.0054 0.0054 0.0050 0.0027 0 0 |
|
Mg3 2/3 1/3 .8529 .25 0.0054 0.0054 0.0050 0.0027 0 0 |
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Al4 .0039 .5019 .6982 .93 0.0022 0.0022 0.0028 0.0006 0.0006 -.0006 |
|
Fe4 .0039 .5019 .6982 .07 0.0022 0.0022 0.0028 0.0006 0.0006 -.0006 |
|
Al5 2/3 1/3 .5686 0.0049 0.0049 0.0047 0.0025 0 0 |
|
Fe6 1/3 2/3 .5383 .60 0.0053 0.0053 0.0051 0.0026 0 0 |
|
Mg6 1/3 2/3 .5383 .20 0.0053 0.0053 0.0051 0.0026 0 0 |
|
Zn6 1/3 2/3 .5383 .15 0.0053 0.0053 0.0051 0.0026 0 0 |
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Al6 1/3 2/3 .5383 .05 0.0053 0.0053 0.0051 0.0026 0 0 |
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Fe7 0 0 .6059 .50 0.0055 0.0055 0.0072 0.0028 0 0 |
|
Mg7 0 0 .6059 .25 0.0055 0.0055 0.0072 0.0028 0 0 |
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Zn7 0 0 .6059 .15 0.0055 0.0055 0.0072 0.0028 0 0 |
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Al7 0 0 .6059 .10 0.0055 0.0055 0.0072 0.0028 0 0 |
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O1 0 0 .9974 0.0061 0.0061 0.0102 0.0030 0 0 |
|
O2 .0398 .5199 .9994 0.0044 0.0044 0.0070 0.0012 -.0005 0.0005 |
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OH3 1/3 2/3 .8876 0.0083 0.0083 0.0032 0.0042 0 0 |
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O4 .8462 .6924 .8839 0.0141 0.0141 0.0058 0.0126 0.0003 -.0003 |
|
O5 2/3 1/3 .7509 0.0078 0.0078 0.0116 0.0039 0 0 |
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O6 .6622 .8311 .7510 0.0076 0.0076 0.0071 0.0041 -.0016 0.0016 |
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O7 1/3 2/3 .6452 0.0059 0.0059 0.0060 0.0030 0 0 |
|
O8 .8126 .6251 .6342 0.0096 0.0096 0.0080 0.0061 0.0020 -.0020 |
|
|
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|
| |
|
Nolanite |
|
Gatehouse B M, Grey I E, Nickel E H |
|
American Mineralogist 68 (1983) 833-839 |
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The crystal chemistry of nolanite, (V,Fe,Ti,Al)10O14(OH)2, from Kalgoorlie, |
|
Western Australia |
|
sample: crystal # 1 |
|
_database_code_amcsd 0000910 |
|
5.890 5.890 9.255 90 90 120 P6_3mc |
|
atom x y z occ |
|
V1 .16559 -.16559 .6370 .69 |
|
Fe1 .16559 -.16559 .6370 .22 |
|
Ti1 .16559 -.16559 .6370 .06 |
|
Al1 .16559 -.16559 .6370 .03 |
|
V2 1/3 2/3 .3497 .69 |
|
Fe2 1/3 2/3 .3497 .22 |
|
Ti2 1/3 2/3 .3497 .06 |
|
Al2 1/3 2/3 .3497 .03 |
|
V3 1/3 2/3 .9579 .69 |
|
Fe3 1/3 2/3 .9579 .22 |
|
Ti3 1/3 2/3 .9579 .06 |
|
Al3 1/3 2/3 .9579 .03 |
|
OH1 0 0 .0129 |
|
O2 1/3 2/3 .7521 |
|
O3 .1684 -.1684 .2395 |
|
O4 .5177 -.5177 .0036 |
|
|
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|
| |
|
Nolanite |
|
Gatehouse B M, Grey I E, Nickel E H |
|
American Mineralogist 68 (1983) 833-839 |
|
The crystal chemistry of nolanite, (V,Fe,Ti,Al)10O14(OH)2, from Kalgoorlie, |
|
Western Australia |
|
sample: crystal # 2 |
|
_database_code_amcsd 0000911 |
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5.890 5.890 9.255 90 90 120 P6_3mc |
|
atom x y z occ |
|
V1 .1669 -.1669 .6357 .52 |
|
Fe1 .1669 -.1669 .6357 .35 |
|
Ti1 .1669 -.1669 .6357 .11 |
|
Al1 .1669 -.1669 .6357 .02 |
|
V2 1/3 2/3 .3453 .52 |
|
Fe2 1/3 2/3 .3453 .35 |
|
Ti2 1/3 2/3 .3453 .11 |
|
Al2 1/3 2/3 .3453 .02 |
|
V3 1/3 2/3 .9579 .52 |
|
Fe3 1/3 2/3 .9579 .35 |
|
Ti3 1/3 2/3 .9579 .11 |
|
Al3 1/3 2/3 .9579 .02 |
|
OH1 0 0 .0153 |
|
O2 1/3 2/3 .7514 |
|
O3 .1681 -.1681 .2384 |
|
O4 .5181 -.5181 .0017 |
|
|
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|
| |
|
Francisite |
|
Pring A, Gatehouse B M, Birch W D |
|
American Mineralogist 75 (1990) 1421-1425 |
|
Francisite, Cu3Bi(SeO3)2O2Cl, a new mineral from Iron Monarch, South Australia: |
|
Description and crystal structure |
|
_database_code_amcsd 0001339 |
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6.354 9.630 7.220 90 90 90 *Pmmn |
|
-.25 -.25 0 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi .25 .25 .2416 0.0066 0.0064 0.0082 0 0 0 |
|
Cu1 0 0 0 0.0116 0.0055 0.0123 -.0087 0.0041 -.0069 |
|
Cu2 .25 .25 .7922 0.0322 0.0061 0.0027 0 0 0 |
|
Se .25 .5570 .6096 0.0072 0.0064 0.0092 0 0 .0008 |
|
Cl .25 .75 .1488 0.0474 0.0345 0.0172 0 0 0 |
|
O1 .25 .1113 .9941 .0074 |
|
O2 .0409 .5836 .7552 .0157 |
|
O3 .25 .1173 .5872 .0169 |
|
|
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|
| |
|
Bamfordite |
|
Birch W D, Pring A, McBriar E M, Gatehouse B M, McCammon C A |
|
American Mineralogist 83 (1998) 172-177 |
|
Bamfordite, a new hydrated iron molybdenum oxyhydroxide from Queensland, |
|
Australia: Description and crystal chemistry |
|
_database_code_amcsd 0001962 |
|
5.878 7.536 9.436 71.66 83.43 72.85 P-1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mo1 .2370 .4809 .26057 .0060 .0057 .0056 -.0021 .0005 -.0003 |
|
Mo2 .0943 .2340 .05694 .0091 .0058 .0068 -.0031 .0004 -.0002 |
|
Fe1 -.0817 .8948 .4069 .0095 .0091 .0099 -.0027 .0011 -.0014 |
|
O1 -.216 .1160 .5005 .006 .008 .013 -.001 -.002 -.004 |
|
O2 -.401 .925 .3281 .014 .028 .010 -.009 -.002 -.003 |
|
O3 .081 .6791 .3278 .022 .007 .016 -.003 .002 -.006 |
|
O4 .530 .4586 .2840 .008 .013 .027 -.005 -.001 -.004 |
|
O5 .170 .2863 .4072 .020 .010 .011 -.007 .006 .002 |
|
O6 .338 .2860 .1252 .012 .009 .009 -.001 .000 -.002 |
|
O7 .076 .4876 -.1364 .008 .007 .007 -.002 .002 .002 |
|
O8 -.234 .3275 -.0392 .017 .011 .016 -.004 -.002 -.001 |
|
O9 -.017 .091 .2212 .011 .017 .011 -.004 .001 -.002 |
|
O10 .244 .081 -.0363 .017 .015 .014 -.001 .003 -.009 |
|
|
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|
| |
|
Landauite |
|
Grey I E, Gatehouse B M |
|
The Canadian Mineralogist 16 (1978) 63-68 |
|
The crystal structure of landauite, Na[MnZn2(Ti,Fe)6Ti12]O38 |
|
_database_code_amcsd 0005148 |
|
9.152 9.152 9.152 68.99 68.99 68.99 R-3 |
|
atom x y z occ Biso |
|
NaM0 0 0 0 .70 2.3 |
|
KM0 0 0 0 .15 2.3 |
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PbM0 0 0 0 .15 2.3 |
|
MnM1 .5 .5 .5 .59 |
|
ZnM2 .3103 .3103 .3103 .79 |
|
TiM3 .3493 .1261 .0190 .64 .51 |
|
FeM3 .3493 .1261 .0190 .36 .51 |
|
TiM4 .3025 .7196 .1503 .48 |
|
TiM5 .4752 .0862 .6363 .43 |
|
O1 .3023 .6285 .3778 .53 |
|
O2 .1555 .2375 .9391 .40 |
|
O3 .9182 .4592 .3009 .43 |
|
O4 .1447 .5170 .9890 .40 |
|
O5 .3892 .4856 .1364 .34 |
|
O6 .7056 .2420 .0722 .28 |
|
O7 .2138 .2138 .2138 .13 |
|
|
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|
| |
|
Brazilianite |
|
Gatehouse B M, Miskin B K |
 |
Acta Crystallographica B30 (1974) 1311-1317 |
|
The crystal structure of brazilianite, NaAl3(PO4)2(OH)4 |
|
Locality: Corrego Frio pegmatite, Minas Gerais, Brazil |
|
_database_code_amcsd 0009508 |
|
11.233 10.142 7.097 90 97.37 90 P2_1/n |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P1 .1804 .3122 .2375 .0032 .0037 .0037 0 .0003 .0006 |
|
P2 .3124 .3279 .7538 .0033 .0031 .0040 -.0002 .0007 -.0004 |
|
Al1 .0432 .2204 .5614 .0052 .0047 .0049 .0005 .0015 -.0004 |
|
Al2 .2630 .0673 .5082 .0035 .0048 .0059 .0003 .0007 -.0006 |
|
Al3 .4594 .2545 .4328 .0048 .0046 .0043 -.0001 .0011 .0002 |
|
Na .3036 .0751 .0350 .0369 .0144 .0173 -.0049 .0061 .0005 |
|
O1 .1035 .0794 .4498 .53 |
|
O2 .4238 .1010 .5620 .56 |
|
O3 .0030 .3496 .7243 .54 |
|
O4 .4974 .3860 .2698 .55 |
|
O5 .1145 .2392 .0664 .66 |
|
O6 .2878 .2219 .3187 .53 |
|
O7 .2260 .2135 .6811 .55 |
|
O8 .3878 .2806 .9348 .62 |
|
O9 .1000 .3403 .3935 .61 |
|
O10 .3917 .3673 .6014 .61 |
|
O11 .2259 .4468 .1822 .69 |
|
O12 .2355 .4487 .7907 .61 |
|
H1 .062 .003 .372 1 |
|
H2 .464 .098 .680 1 |
|
H3 .073 .408 .748 1 |
|
H4 .046 .058 .840 1 |
|
|
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|
| |
|
Mathiasite |
|
Gatehouse B M, Grey I E, Smyth J R |
|
Acta Crystallographica C39 (1983) 421-422 |
|
Structure refinement of mathiasite, (K0.62Na0.14Ba0.14Sr0.10) |
|
[Ti12.90Cr3.10Mg1.53Fe2.15Zr0.67Ca0.29V0.36]O38 |
|
Locality: peridotite nodules, Bultfonten kimblerlite, South Africa |
|
_database_code_amcsd 0009973 |
|
9.119 9.119 9.119 69.24 69.24 69.24 R-3 |
|
atom x y z occ Biso |
|
KM0 0 0 0 .62 1.24 |
|
NaM0 0 0 0 .14 1.24 |
|
BaM0 0 0 0 .14 1.24 |
|
SrM0 0 0 0 .1 1.24 |
|
ZrM1 .5 .5 .5 .7 .26 |
|
CaM1 .5 .5 .5 .3 .26 |
|
MgM2 .3111 .3111 .3111 .45 .36 |
|
FeM2 .3111 .3111 .3111 .45 .36 |
|
TiM3 .3479 .1227 .0232 .15 .58 |
|
CrM3 .3479 .1227 .0232 .5167 .58 |
|
FeM3 .3479 .1227 .0232 .2167 .58 |
|
VM3 .3479 .1227 .0232 .0389 .58 |
|
NbM3 .3479 .1227 .0232 .0389 .58 |
|
MgM3 .3479 .1227 .0232 .0389 .58 |
|
TiM4 .3071 .7208 .1457 .38 |
|
TiM5 .4754 .0832 .6386 .38 |
|
MgM6 .3692 .3692 .3692 .1 2.23 |
|
O1 .3084 .6261 .3820 .52 |
|
O2 .1553 .2394 .9392 .52 |
|
O3 .9218 .4583 .2979 .52 |
|
O4 .1424 .5175 .9902 .52 |
|
O5 .3901 .4879 .1343 .37 |
|
O6 .7043 .2434 .0743 .42 |
|
O7 .2133 .2133 .2133 .45 |
|
|
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|
| |
|
Cu3Bi4V2O14 |
| |
Deacon G B, Gatehouse B M, Ward G N |
|
Acta Crystallographica C50 (1994) 1178-1180 |
|
Cu3Bi4V2O14, a new compound |
|
_database_code_amcsd 0010293 |
|
5.317 7.916 8.095 74.58 89.38 70.39 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Cul -.3625 -.2236 -.0257 .0086 .0058 .0079 .0101 -.0024 .0005 .0009 |
|
Cu2 0 0 0 .0078 .0034 .0091 .0108 -.0020 .0004 -.0029 |
|
Bil .10793 -.20460 .69944 .0096 .0104 .0060 .0112 -.0026 .00007 -.0006 |
|
Bi2 .42486 .15405 .63975 .0106 .0104 .0083 .0121 -.0014 .0003 -.0036 |
|
V .2506 -.4285 .2456 .0087 .0073 .0042 .0141 -.0034 .0003 .0002 |
|
O1 .2904 -.0696 -.1488 .008 |
|
O2 .2261 .0437 .1669 .010 |
|
O3 -.0010 -.3373 .0868 .040 |
|
O4 -.4742 -.3906 .1548 .022 |
|
O5 .1811 -.3213 .4045 .024 |
|
O6 .3302 .3292 .3250 .013 |
|
O7 .2474 -.0025 .5043 .006 |
|
|
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|
| |
|
LiNb3O8 |
| |
Gatehouse B M, Leverett P |
| |
Crystal Structure Communications 1 (1972) 83-86 |
|
Lithium triniobate(V), LiNb3O8 |
|
Note: isostructural with lithiotantite |
|
Locality: synthetic |
|
_database_code_amcsd 0017479 |
|
7.459 5.034 15.270 90 107.33 90 P2_1/c |
|
atom x y z Biso |
|
Li .2381 .2317 .0765 2.95 |
|
Nb1 .49156 .23019 .33157 .56 |
|
Nb2 .74905 .24547 .07491 .6 |
|
Nb3 .98323 .24198 .33549 .56 |
|
O1 .9997 .0592 .0979 .27 |
|
O2 .4147 .0680 .2178 .24 |
|
O3 .7634 .0987 .3444 .3 |
|
O4 .5371 .4202 .1006 .44 |
|
O5 .912 .4126 .2148 .26 |
|
O6 .6460 .3958 .4609 .16 |
|
O7 .1467 .0643 .4513 .18 |
|
O8 .2774 .4149 .3445 .22 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Lithiowodginite |
|
Gatehouse B M, Negas T, Roth R S |
| |
Journal of Solid State Chemistry 18 (1976) 1-7 |
|
The crystal structure of M-LiTa3O8 and its relationship to the mineral |
|
wodginite |
|
Locality: synthetic |
|
_database_code_amcsd 0013334 |
|
9.413 11.522 5.050 90. 91.05 90 C2/c |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li 0 .8034 .25 |
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Ta1 .2415 .0864 .2466 .0023 .0038 .0036 .0008 -.0007 -.0002 |
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Ta2 0 .3299 .25 .0018 .0029 .0045 0 .0001 0 |
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O1 .3541 .4516 .4413 .62 |
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O2 .3846 .1788 .4270 .61 |
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O3 .1332 .4375 .0792 .48 |
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O4 .1185 .1967 .1069 .64 |
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| 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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| |
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