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Arrojadite-(KFe) |
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Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F |
 |
American Mineralogist 66 (1981) 1034-1049 |
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The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: |
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Crystal structure and crystal chemistry |
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sample NM |
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Locality: Nancy mine, North Groton, New Hampshire, USA |
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_database_code_amcsd 0000846 |
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24.692 10.031 16.453 90 105.78 90 A2/a |
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atom x y z occ |
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Al1 0 .5 0 |
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Fe1 .47321 .89531 .22048 |
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Fe2 .26656 .00954 .21173 |
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Fe3 .14023 .01559 .10524 |
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Fe4 .40367 .25041 .02298 |
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Fe5 .39990 .74383 .03394 |
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Fe6 .35132 .70124 .20352 |
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Fe7 .34199 .29518 .21822 |
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Ca .48587 .22363 .23404 .5 |
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Na1 .11986 .51637 .13523 |
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Na2 0 0 0 .5 |
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Na3 .25 .1248 0 .5 |
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Na4 .4560 .9448 .2037 .5 |
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K .25 .5090 0 |
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P1 .36662 .01006 .11457 .5 |
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P2 .33440 .99720 .08030 .5 |
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P3 .42435 .46788 .13165 |
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P4 .03946 .25200 .12680 |
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P5 .04849 .76821 .10200 |
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P6 .21262 .72485 .12932 |
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P7 .20536 .30030 .14028 |
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O1 .3677 .0625 .0258 |
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O2 .3633 -.1412 .1122 |
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O3 .3179 .0734 .1382 .5 |
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O4 .4220 .0469 .1821 .5 |
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O5 .2718 .9540 .0224 .5 |
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O6 .3231 .0860 .1479 .5 |
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O7 .4456 .4443 .0519 |
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O8 .3909 .5970 .1207 |
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O9 .3872 .3430 .1317 |
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O10 .4725 .4678 .2131 |
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O11 .0752 .1662 .0843 |
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O12 .0367 .3958 .0950 |
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O13 -.0199 .1897 .1101 |
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O14 .0644 .2542 .2238 |
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O15 .0489 .6431 .0458 |
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O16 .0803 .8734 .0636 |
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O17 -.0114 .8142 .0967 |
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O18 .0793 .7371 .1939 |
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O19 .1712 .6753 .0486 |
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O20 .2709 .6765 .1296 |
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O21 .2105 .8783 .1348 |
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O22 .1952 .6648 .2057 |
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O23 .1646 .3456 .0562 |
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O24 .2644 .3551 .1456 |
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O25 .2055 .1470 .1443 |
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O26 .1847 .3561 .2151 |
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F .1395 .0035 .2301 |
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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 (permalink) |
| |
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Arrojadite-(KFe) |
| |
Moore P B, Araki T, Merlino S, Mellini M, Zanazzi P F |
|
American Mineralogist 66 (1981) 1034-1049 |
|
The arrojadite-dickinsonite series, KNa4Ca(Fe,Mn)14Al(OH)2(PO4)12: |
|
Crystal structure and crystal chemistry |
|
sample NP |
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Locality: Nickel Plate mine, Keystone, South Dakota, USA |
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_database_code_amcsd 0000847 |
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24.730 10.057 16.526 90 105.78 90 A2/a |
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atom x y z occ |
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Al1 0 .5 0 |
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Fe1 .4738 .8957 .2202 |
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Fe2 .2674 .0078 .2123 |
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Fe3 .1394 .0142 .1066 |
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Fe4 .4036 .2496 .0222 |
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Fe5 .4004 .7434 .0334 |
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Fe6 .3517 .6992 .2044 |
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Fe7 .3432 .2945 .2193 |
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Ca1 .4848 .2223 .2322 .5 |
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Na1 .1202 .5150 .1289 |
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Na2 0 0 0 .5 |
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Na3 .25 .1460 0 .5 |
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Na4 .4567 .9417 .2077 .5 |
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K .25 .5043 0 |
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P1 .3662 .0085 .1130 .5 |
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P2 .3354 .9948 .0799 .5 |
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P3 .4246 .4670 .1303 |
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P4 .0385 .2518 .1259 |
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P5 .0474 .7673 .1023 |
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P6 .2115 .7241 .1304 |
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P7 .2045 .2972 .1425 |
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O1 .3675 .0614 .0250 |
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O2 .3635 -.1416 .1120 |
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O3 .3220 .0770 .1426 .5 |
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O4 .4222 .0462 .1807 .5 |
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O5 .2720 .9678 .0234 .5 |
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O6 .4222 .0462 .1807 .5 |
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O7 .4450 .4448 .0501 |
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O8 .3924 .5879 .1213 |
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O9 .3871 .3445 .1301 |
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O10 .4733 .4637 .2103 |
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O11 .0751 .1664 .0842 |
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O12 .0360 .3951 .0941 |
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O13 -.0206 .1891 .1078 |
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O14 .0623 .2533 .2224 |
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O15 .0482 .6428 .0467 |
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O16 .0794 .8719 .0652 |
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O17 -.0126 -.8139 .0961 |
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O18 .0770 .7357 .1939 |
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O19 .1703 .6785 .0484 |
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O20 .2703 .6781 .1315 |
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O21 .2088 .8773 .1395 |
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O22 .1938 .6604 .2044 |
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O23 .1653 .3402 .0583 |
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O24 .2632 .3509 .1516 |
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O25 .2052 .1447 .1489 |
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O26 .1824 .3541 .2156 |
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F .1383 .0013 .2315 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Arrojadite-(KNa) |
 |
Camara F, Oberti R, Chopin C, Medenbach O |
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American Mineralogist 91 (2006) 1249-1259 |
|
The arrojadite enigma: I. A new formula and |
|
a new model for the arrojadite structure |
|
Sample: Rapid Creek, Yukon, Canada |
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_database_code_amcsd 0004190 |
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16.5520 10.0529 24.6477 90 106.509 90 Cc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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KA1 -.0003 .4800 -.2457 .83 2.27 .0017 .0035 .0019 .0002 .0011 .0003 |
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Na1 .0001 .0042 -.0002 2.87 .0033 .0049 .0011 .0007 -.0002 .0001 |
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Na2 .1244 .5176 .1244 2.26 .0038 .0029 .0005 .0010 -.0004 -.0001 |
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Ca -.2367 .2236 .0181 .91 .90 .0009 .0021 .0005 -.0003 .0003 -.0002 |
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Sr -.2367 .2236 .0181 .01 .90 .0009 .0021 .0005 -.0003 .0003 -.0002 |
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NaB1 -.2947 .5663 -.0439 1.93 .0015 .0056 .0008 .0005 .0000 .0007 |
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NaB2 -.1220 .4855 -.1228 1.89 .0030 .0031 .0005 .0007 .0000 .0001 |
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NaA2 -.0190 .1859 .2288 2.02 |
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NaA2x .0093 .1754 .2734 .01 2.00 |
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FeM1 -.2247 .8853 .0284 .9 1.08 .0009 .0021 .0007 .0002 .0004 .0003 |
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MnM1 -.2247 .8853 .0284 .1 1.08 .0009 .0021 .0007 .0002 .0004 .0003 |
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FeM2a -.2893 .4803 -.2295 .9 .92 .0010 .0022 .0004 -.0003 .0001 .0000 |
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MnM2a -.2893 .4803 -.2295 .1 .92 .0010 .0022 .0004 -.0003 .0001 .0000 |
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MgM2b .2859 .5144 .2344 .7 .92 .0009 .0023 .0004 .0000 .0001 .0001 |
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FeM2b .2859 .5144 .2344 .27 .92 .0009 .0023 .0004 .0000 .0001 .0001 |
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MnM2b .2859 .5144 .2344 .03 .92 .0009 .0023 .0004 .0000 .0001 .0001 |
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MgM3a -.1125 -.0187 -.1367 .7 .78 .0008 .0018 .0003 -.0001 .0001 -.0001 |
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FeM3a -.1125 -.0187 -.1367 .27 .78 .0008 .0018 .0003 -.0001 .0001 -.0001 |
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MnM3a -.1125 -.0187 -.1367 .03 .78 .0008 .0018 .0003 -.0001 .0001 -.0001 |
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MgM3b .1036 1.0144 .1417 .7 .78 .0008 .0017 .0004 .0000 .0001 -.0001 |
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FeM3b .1036 1.0144 .1417 .27 .78 .0008 .0017 .0004 .0000 .0001 -.0001 |
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MnM3b .1036 1.0144 .1417 .03 .78 .0008 .0017 .0004 .0000 .0001 -.0001 |
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FeM4a -.0239 .2491 .0973 .9 .79 .0007 .0020 .0004 .0001 .0001 .0001 |
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MnM4a -.0239 .2491 .0973 .1 .79 .0007 .0020 .0004 .0001 .0001 .0001 |
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MgM4b .0238 .7513 -.0926 .7 .76 .0007 .0019 .0004 .0001 .0001 .0000 |
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FeM4b .0238 .7513 -.0926 .27 .76 .0007 .0019 .0004 .0001 .0001 .0000 |
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MnM4b .0238 .7513 -.0926 .03 .76 .0007 .0019 .0004 .0001 .0001 .0000 |
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FeM5a .0297 .2540 -.0973 .9 .75 .0007 .0021 .0003 .0000 .0001 .0000 |
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MnM5a .0297 .2540 -.0973 .1 .75 .0007 .0021 .0003 .0000 .0001 .0000 |
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FeM5b -.0360 .7407 .1016 .9 .77 .0007 .0021 .0003 .0000 .0001 .0000 |
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MnM5b -.0360 .7407 .1016 .1 .77 .0007 .0021 .0003 .0000 .0001 .0000 |
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FeM6a -.2046 .6943 .1501 .9 .95 .0010 .0029 .0003 .0000 .0001 .0001 |
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MnM6a -.2046 .6943 .1501 .1 .95 .0010 .0029 .0003 .0000 .0001 .0001 |
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FeM6b -.3016 .8083 -.1471 .9 1.06 .0010 .0036 .0003 .0001 .0001 .0000 |
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MnM6b -.3016 .8083 -.1471 .1 1.06 .0010 .0036 .0003 .0001 .0001 .0000 |
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FeM7a -.2866 .2072 -.1525 .9 .86 .0008 .0026 .0003 -.0003 .0002 .0001 |
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MnM7a -.2866 .2072 -.1525 .1 .86 .0008 .0026 .0003 -.0003 .0002 .0001 |
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FeM7b -.2222 .6975 -.3402 .9 1.17 .0011 .0041 .0003 .0007 .0001 -.0001 |
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MnM7b -.2222 .6975 -.3402 .1 1.17 .0011 .0041 .0003 .0007 .0001 -.0001 |
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Al -.0044 .4995 .0016 .59 .0006 .0015 .0003 .0000 .0001 .0000 |
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P1 -.1165 1.0069 .1344 .65 .0007 .0016 .0003 -.0001 .0002 -.0001 |
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P1x -.4217 .5030 -.1604 .76 .0008 .0019 .0003 -.0001 .0002 -.0001 |
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P2a -.1338 .4644 .0770 .65 .0006 .0015 .0003 -.0001 .0002 -.0001 |
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P2b .1256 .5290 -.0741 .62 .0006 .0016 .0003 .0000 .0002 .0000 |
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P3a -.1303 .7454 -.0397 .60 .0005 .0016 .0003 .0002 .0001 .0001 |
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P3b -.3785 .7509 .0414 .60 .0006 .0016 .0003 .0000 .0001 .0000 |
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P4a -.1075 .2343 -.0462 .60 .0006 .0016 .0002 -.0001 .0001 .0000 |
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P4b .0984 .7686 .0497 .59 .0006 .0015 .0003 .0000 .0001 .0000 |
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P5a .1308 .7312 .2145 .66 .0007 .0016 .0003 .0000 .0001 .0000 |
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P5b -.1346 .2687 -.2097 .65 .0006 .0018 .0003 .0000 .0001 .0000 |
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P6a .1376 .2992 .2101 .79 .0008 .0017 .0003 .0000 .0000 .0000 |
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P6b -.1389 .7007 -.2043 .70 .0007 .0015 .0003 -.0001 .0001 .0000 |
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O1a -.4776 .4360 -.1287 1.28 .0013 .0027 .0008 -.0002 .0006 .0002 |
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O1b -.0286 .0620 .1357 .94 .0007 .0023 .0006 -.0002 .0002 .0001 |
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O2a -.3911 .6363 -.1328 .94 .0010 .0021 .0005 -.0001 .0003 -.0002 |
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O2b -.1144 .8544 .1381 .99 .0010 .0017 .0006 -.0003 .0004 -.0001 |
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O3 .3569 .5701 .1826 1.37 .0015 .0038 .0006 -.0006 .0006 -.0006 |
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O4 -.1819 1.0440 .0786 1.24 .0012 .0031 .0004 .0000 -.0001 .0002 |
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O3x -.4792 .5233 -.2231 1.57 .0015 .0052 .0004 .0000 .0000 .0000 |
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O4x -.3479 .4194 -.1654 1.36 .0015 .0028 .0008 .0008 .0008 .0003 |
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O5a -.0534 .4443 .0570 .81 .0007 .0020 .0004 -.0001 .0003 .0001 |
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O5b .0480 .5540 -.0524 .84 .0009 .0019 .0004 .0003 .0003 .0001 |
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O6a -.1229 .5931 .1110 .96 .0009 .0019 .0006 -.0004 .0004 -.0003 |
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O6b .1131 .4011 -.1084 .93 .0009 .0019 .0006 -.0002 .0004 -.0003 |
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O7a -.1337 .3374 .1133 .89 .0008 .0021 .0005 .0000 .0004 .0003 |
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O7b -.3718 .1554 -.1081 .96 .0009 .0021 .0005 .0001 .0003 .0003 |
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O8a -.2142 .4590 .0288 1.12 .0007 .0036 .0005 -.0001 -.0001 .0001 |
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O8b -.2922 1.0222 -.0255 1.07 .0009 .0027 .0005 .0001 -.0001 .0000 |
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O9a -.0812 .8342 -.0699 .98 .0009 .0026 .0005 .0001 .0004 .0001 |
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O9b -.4184 .6663 .0787 .91 .0009 .0020 .0005 -.0001 .0003 .0002 |
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O10a -.0997 .6022 -.0373 .81 .0007 .0024 .0003 .0001 .0001 .0001 |
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O10b .0901 .3952 .0395 .82 .0009 .0014 .0004 .0003 .0001 .0000 |
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O11a -.1178 .7998 .0211 1.08 .0010 .0038 .0003 .0008 .0002 .0000 |
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O11b -.3979 .6899 -.0175 1.03 .0013 .0026 .0003 .0004 .0001 -.0002 |
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O12a -.2248 .7500 -.0684 1.18 .0006 .0033 .0006 -.0002 .0000 .0004 |
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O12b -.2812 .7545 .0682 1.04 .0006 .0029 .0005 .0002 .0001 .0003 |
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O13a -.0516 .3576 -.0474 .74 .0008 .0012 .0004 -.0003 .0001 .0000 |
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O13b .0403 .6464 .0484 .75 .0008 .0016 .0004 -.0001 .0002 -.0001 |
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O14a -.0731 .1297 -.0795 .83 .0010 .0018 .0004 -.0002 .0002 -.0003 |
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O14b .0587 .8750 .0791 .85 .0009 .0017 .0005 .0000 .0003 -.0002 |
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O15a -.0953 .1857 .0147 .81 .0010 .0022 .0003 -.0002 .0001 .0000 |
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O15b .1000 .8127 -.0092 1.10 .0013 .0030 .0003 -.0006 .0002 .0000 |
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O16a -.2010 .2648 -.0717 .96 .0006 .0031 .0004 .0000 .0001 -.0001 |
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O16b .1878 .7331 .0842 1.01 .0006 .0032 .0004 .0002 .0000 .0000 |
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O17a .0515 .6792 .1718 1.03 .0009 .0026 .0004 -.0002 .0000 .0001 |
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O17b -.0531 .3193 -.1684 1.02 .0008 .0032 .0004 -.0003 -.0001 .0000 |
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O18a .1326 .3139 -.2266 1.21 .0013 .0040 .0003 .0002 .0001 -.0001 |
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O18b -.1417 .3232 -.2681 1.09 .0014 .0031 .0003 -.0005 .0002 .0001 |
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O19a .1355 .8838 .2105 1.47 .0020 .0018 .0005 -.0005 -.0001 .0001 |
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O19b -.1352 .1146 -.2091 1.19 .0016 .0015 .0005 .0000 .0000 .0000 |
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O20a .2077 .6725 .1987 1.13 .0009 .0036 .0005 .0003 .0003 .0001 |
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O20b -.2091 .3205 -.1893 1.08 .0010 .0028 .0006 .0002 .0003 .0000 |
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O21a .0520 .3357 .1697 1.14 .0010 .0028 .0005 .0004 -.0001 -.0001 |
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O21b -.0564 .6617 -.1609 1.04 .0008 .0028 .0004 .0002 -.0002 -.0002 |
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O22a .1394 .6572 -.2309 2.19 .0029 .0056 .0004 -.0023 -.0002 .0006 |
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O22b -.1337 .6634 -.2634 1.31 .0017 .0033 .0003 .0007 .0001 -.0001 |
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O23a .1467 .1465 .2088 1.13 .0015 .0017 .0005 -.0001 .0000 -.0001 |
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O23b -.1522 .8524 -.2013 1.02 .0013 .0015 .0004 .0004 -.0001 -.0001 |
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O24a .2090 .3647 .1906 1.86 .0011 .0044 .0011 -.0010 .0001 .0011 |
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O24b -.2126 .6273 -.1898 1.46 .0011 .0034 .0007 -.0007 .0000 .0004 |
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OW1 -.2357 1.0031 -.1348 .97 1.21 .0011 .0032 .0006 .0000 .0004 .0000 |
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FW1 -.2357 1.0031 -.1348 .03 1.21 .0011 .0032 .0006 .0000 .0004 .0000 |
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OW2 -.2734 .5004 .1370 1.17 .0011 .0032 .0005 -.0002 .0002 -.0001 |
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HW1 -.227 1.008 -.100 .97 1.20 |
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HW2 -.277 .498 .098 1.20 |
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HO3x -.512 .548 -.269 1.20 |
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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 (permalink) |
| |
|
Arrojadite-(SrFe) |
| |
Camara F, Oberti R, Chopin C, Medenbach O |
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American Mineralogist 91 (2006) 1249-1259 |
|
The arrojadite enigma: I. A new formula and |
|
a new model for the arrojadite structure |
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Sample: Horrsjoberg, Varmland, Sweden |
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_database_code_amcsd 0004191 |
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16.3992 9.9400 24.4434 90 105.489 90 Cc |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 -.0051 .0074 .0028 2.03 .0022 .0031 .0009 .0005 -.0003 .0002 |
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Na2 .1325 .5174 .1216 3.12 .0055 .0035 .0006 .0004 -.0007 -.0002 |
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K -.2307 .2158 .0215 .03 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 |
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Ca -.2307 .2158 .0215 .59 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 |
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Na -.2307 .2158 .0215 .15 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 |
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Ba -.2307 .2158 .0215 .20 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 |
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Pb -.2307 .2158 .0215 .03 1.21 .0011 .0029 .0007 -.0006 .0005 -.0005 |
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SrA1 -.0013 .5016 -.2442 .93 2.07 .0014 .0036 .0017 -.0001 .0009 -.0001 |
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NaB2 -.1288 .4861 -.1195 .4 1.76 .0027 .0027 .0005 .0011 -.0001 .0002 |
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FeB1 -.2993 .5494 -.0402 .1 3.39 |
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MnB1 -.2993 .5494 -.0402 .1 3.39 |
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NaB1 -.2993 .5494 -.0402 .13 3.39 |
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FeB1x -.2513 .5184 -.0721 .1 1.72 |
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MnB1x -.2513 .5184 -.0721 .1 1.72 |
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NaB1x -.2513 .5184 -.0721 .13 1.72 |
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FeB1y -.2352 .5148 -.0798 .1 .85 |
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MnB1y -.2352 .5148 -.0798 .1 .85 |
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NaB1y -.2352 .5148 -.0798 .13 .85 |
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FeM1 -.2290 .8860 .0225 .67 .93 .0008 .0024 .0005 .0002 .0003 .0002 |
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MnM1 -.2290 .8860 .0225 .33 .93 .0008 .0024 .0005 .0002 .0003 .0002 |
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FeM2a -.2850 .4866 -.2306 .67 1.48 .0020 .0023 .0006 .0000 .0000 .0000 |
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MnM2a -.2850 .4866 -.2306 .33 1.48 .0020 .0023 .0006 .0000 .0000 .0000 |
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MgM2b .2877 .5118 .2345 .9 .91 .0010 .0021 .0004 -.0001 .0001 .0000 |
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FeM2b .2877 .5118 .2345 .07 .91 .0010 .0021 .0004 -.0001 .0001 .0000 |
|
MnM2b .2877 .5118 .2345 .03 .91 .0010 .0021 .0004 -.0001 .0001 .0000 |
|
MgM3a -.1115 -.0134 -.1383 .9 .89 .0009 .0020 .0004 -.0001 .0001 -.0001 |
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FeM3a -.1115 -.0134 -.1383 .07 .89 .0009 .0020 .0004 -.0001 .0001 -.0001 |
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MnM3a -.1115 -.0134 -.1383 .03 .89 .0009 .0020 .0004 -.0001 .0001 -.0001 |
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MgM3b .1000 1.0167 .1437 .9 .87 .0010 .0019 .0004 .0000 .0001 .0000 |
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FeM3b .1000 1.0167 .1437 .07 .87 .0010 .0019 .0004 .0000 .0001 .0000 |
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MnM3b .1000 1.0167 .1437 .03 .87 .0010 .0019 .0004 .0000 .0001 .0000 |
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FeM4a -.0225 .2559 .1024 .67 .86 .0007 .0019 .0005 .0001 .0003 .0001 |
|
MnM4a -.0225 .2559 .1024 .33 .86 .0007 .0019 .0005 .0001 .0003 .0001 |
|
MgM4b .0208 .7546 -.0947 .9 .96 .0009 .0023 .0005 .0002 .0002 .0001 |
|
FeM4b .0208 .7546 -.0947 .07 .96 .0009 .0023 .0005 .0002 .0002 .0001 |
|
MnM4b .0208 .7546 -.0947 .03 .96 .0009 .0023 .0005 .0002 .0002 .0001 |
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FeM5a .0310 .2565 -.0967 .67 .78 .0007 .0023 .0003 -.0001 .0002 -.0001 |
|
MnM5a .0310 .2565 -.0967 .33 .78 .0007 .0023 .0003 -.0001 .0002 -.0001 |
|
FeM5b -.0377 .7450 .1024 .67 .90 .0008 .0025 .0004 .0000 .0002 .0000 |
|
MnM5b -.0377 .7450 .1024 .33 .90 .0008 .0025 .0004 .0000 .0002 .0000 |
|
FeM6a -.2092 .7012 .1502 .67 .88 .0009 .0026 .0003 .0002 .0001 .0000 |
|
MnM6a -.2092 .7012 .1502 .33 .88 .0009 .0026 .0003 .0002 .0001 .0000 |
|
FeM6b -.2976 .8035 -.1458 .67 1.27 .0011 .0046 .0004 .0006 .0001 -.0001 |
|
MnM6b -.2976 .8035 -.1458 .33 1.27 .0011 .0046 .0004 .0006 .0001 -.0001 |
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FeM7a -.2848 .2129 -.1532 .67 1.01 .0009 .0033 .0004 -.0003 .0002 .0001 |
|
MnM7a -.2848 .2129 -.1532 .33 1.01 .0009 .0033 .0004 -.0003 .0002 .0001 |
|
FeM7b -.2221 .7054 -.3393 .67 1.09 .0010 .0036 .0004 .0005 .0002 -.0001 |
|
MnM7b -.2221 .7054 -.3393 .33 1.09 .0010 .0036 .0004 .0005 .0002 -.0001 |
|
Al -.0045 .5031 .0013 .71 .0007 .0017 .0004 .0000 .0002 .0000 |
|
P1 -.1194 1.0128 .1338 .66 .0007 .0015 .0003 .0000 .0002 .0000 |
|
P1x -.4217 .5041 -.1621 .92 .0010 .0021 .0005 -.0001 .0003 .0000 |
|
P2a -.1356 .4645 .0762 .86 .0007 .0018 .0006 -.0002 .0003 -.0002 |
|
P2b .1267 .5377 -.0747 .68 .0006 .0019 .0003 .0001 .0001 .0001 |
|
P3a -.1296 .7542 -.0374 .77 .0006 .0022 .0003 .0003 .0002 .0001 |
|
P3b -.3801 .7508 .0405 .63 .0006 .0016 .0003 .0000 .0001 .0000 |
|
P4a -.1103 .2398 -.0474 .72 .0007 .0017 .0003 -.0002 .0002 -.0001 |
|
P4b .0985 .7731 .0488 .68 .0006 .0014 .0004 .0001 .0001 -.0001 |
|
P5a .1238 .7233 .2154 .69 .0007 .0016 .0003 .0000 .0001 .0000 |
|
P5b -.1291 .2737 -.2100 .68 .0007 .0017 .0003 -.0001 .0001 .0000 |
|
P6a .1388 .3009 .2107 .81 .0010 .0017 .0003 .0000 .0001 -.0001 |
|
P6b -.1454 .6980 -.2001 1.15 .0009 .0017 .0007 .0001 -.0002 -.0003 |
|
O1a -.4819 .4382 -.1317 1.11 .0010 .0030 .0006 .0000 .0005 .0002 |
|
O1b -.0320 .0652 .1325 .98 .0007 .0023 .0006 .0000 .0003 .0002 |
|
O2a -.3874 .6355 -.1311 1.09 .0013 .0021 .0006 -.0003 .0005 -.0004 |
|
O2b -.1153 .8602 .1426 1.08 .0012 .0017 .0007 -.0001 .0004 .0003 |
|
O3 .3481 .5866 .1789 1.32 .0017 .0030 .0007 .0002 .0008 -.0001 |
|
O4 -.1849 1.0409 .0767 1.18 .0011 .0029 .0005 .0002 -.0001 .0002 |
|
O3x -.4750 .5311 -.2242 1.86 .0014 .0080 .0005 .0002 .0002 .0003 |
|
O4x -.3463 .4179 -.1645 1.38 .0014 .0024 .0010 .0001 .0008 -.0001 |
|
O5a -.0526 .4438 .0582 .88 .0008 .0024 .0005 -.0004 .0003 -.0002 |
|
O5b .0478 .5620 -.0529 .83 .0008 .0025 .0004 .0005 .0003 .0002 |
|
O6a -.1303 .6004 .1058 1.32 .0012 .0022 .0010 -.0002 .0006 -.0003 |
|
O6b .1173 .4060 -.1069 1.09 .0011 .0024 .0007 -.0003 .0005 -.0005 |
|
O7a -.1317 .3445 .1176 1.68 .0015 .0034 .0012 .0007 .0010 .0009 |
|
O7b -.3744 .1602 -.1129 .98 .0009 .0024 .0006 .0003 .0005 .0005 |
|
O8a -.2143 .4450 .0267 2.13 .0008 .0079 .0010 -.0004 .0001 -.0010 |
|
O8b -.2924 1.0399 -.0261 1.06 .0007 .0032 .0005 .0001 .0000 .0002 |
|
O9a -.0870 .8364 -.0749 1.07 .0012 .0030 .0005 .0002 .0004 .0004 |
|
O9b -.4189 .6715 .0812 .96 .0009 .0024 .0005 .0001 .0003 .0002 |
|
O10a -.1005 .6077 -.0340 .91 .0009 .0023 .0004 .0002 .0001 .0000 |
|
O10b .0905 .3974 .0372 .92 .0010 .0015 .0005 .0002 .0002 .0001 |
|
O11a -.1093 .8196 .0224 1.05 .0012 .0031 .0004 .0004 .0002 -.0001 |
|
O11b -.4021 .6837 -.0173 1.12 .0014 .0031 .0003 .0004 .0001 -.0002 |
|
O12a -.2265 .7592 -.0599 1.20 .0006 .0040 .0006 .0005 .0001 .0003 |
|
O12b -.2827 .7555 .0651 1.02 .0006 .0031 .0005 -.0001 .0001 .0003 |
|
O13a -.0527 .3626 -.0482 .86 .0009 .0019 .0005 -.0006 .0003 -.0002 |
|
O13b .0418 .6479 .0496 .82 .0010 .0019 .0004 -.0001 .0003 -.0001 |
|
O14a -.0756 .1340 -.0813 1.04 .0012 .0021 .0005 -.0003 .0003 -.0004 |
|
O14b .0627 .8754 .0834 .94 .0010 .0020 .0005 -.0001 .0002 -.0003 |
|
O15a -.1006 .1897 .0133 1.15 .0016 .0027 .0004 -.0001 .0003 .0001 |
|
O15b .0918 .8235 -.0110 1.25 .0018 .0030 .0003 -.0007 .0002 .0000 |
|
O16a -.2031 .2734 -.0738 1.21 .0007 .0040 .0006 .0000 .0001 -.0001 |
|
O16b .1898 .7361 .0788 1.23 .0007 .0033 .0006 .0002 -.0001 -.0003 |
|
O17a .0421 .6713 .1749 1.15 .0009 .0032 .0005 -.0003 -.0001 .0001 |
|
O17b -.0464 .3248 -.1700 1.17 .0009 .0030 .0006 -.0003 .0000 .0001 |
|
O18a .1253 .3280 -.2254 1.22 .0014 .0033 .0004 .0002 .0003 -.0001 |
|
O18b -.1328 .3307 -.2685 1.07 .0014 .0025 .0003 -.0003 .0000 .0002 |
|
O19a .1298 .8781 .2132 1.41 .0020 .0020 .0005 -.0004 .0000 .0000 |
|
O19b -.1332 .1187 -.2088 1.33 .0017 .0017 .0006 -.0006 -.0001 .0002 |
|
O20a .1994 .6649 .1972 1.22 .0009 .0036 .0007 .0003 .0004 -.0001 |
|
O20b -.2057 .3275 -.1901 1.18 .0009 .0039 .0005 .0002 .0003 .0000 |
|
O21a .0550 .3501 .1717 1.24 .0010 .0033 .0005 .0004 -.0001 -.0001 |
|
O21b -.0586 .6555 -.1632 1.19 .0009 .0028 .0006 .0004 .0000 -.0002 |
|
O22a .1447 .6457 -.2299 1.54 .0020 .0040 .0004 -.0009 .0000 .0003 |
|
O22b -.1558 .6368 -.2591 3.28 .0050 .0044 .0007 .0028 -.0011 -.0013 |
|
O23a .1445 .1469 .2097 1.13 .0015 .0019 .0005 .0000 .0001 .0000 |
|
O23b -.1544 .8517 -.2015 1.33 .0018 .0016 .0005 .0002 -.0002 -.0003 |
|
O24a .2130 .3567 .1890 1.43 .0013 .0037 .0007 -.0004 .0002 .0004 |
|
O24b -.2178 .6397 -.1765 2.31 .0009 .0033 .0021 -.0003 .0005 .0000 |
|
OW1 -.2342 1.0092 -.1390 .1 1.76 .0010 .0054 .0010 .0002 .0004 -.0003 |
|
FW1 -.2342 1.0092 -.1390 .9 1.76 .0010 .0054 .0010 .0002 .0004 -.0003 |
|
OW2 -.2750 .5005 .1423 1.51 .0009 .0038 .0010 .0000 .0002 -.0001 |
|
HW1 -.274 1.018 -.126 .1 .50 |
|
HW2 -.279 .498 .107 1.20 |
|
HO3x .468 .469 .229 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 (permalink) |
| |
|
Arrojadite-(KFe) |
| |
Merlino S, Mellini M, Zanazzi P F |
 |
Acta Crystallographica B37 (1981) 1733-1736 |
|
Structure of arrojadite, KNa4CaMn4Fe10Al(PO4)12(OH,F)2 |
|
Locality: Nickel Plate mine, Keystone, South Dakota, USA |
|
_database_code_amcsd 0009747 |
|
16.526 10.057 24.730 90 105.78 90 C2/c |
|
atom x y z occ Biso |
|
CaX1 .2322 .2223 .4848 .5 1.03 |
|
NaX2 .1289 .5150 .1202 2.99 |
|
NaX3 0 0 0 1.95 |
|
KX4 0 .5043 .25 .75 2.87 |
|
NaX4 0 .5043 .25 .25 2.87 |
|
NaX5 0 .1460 .25 .86 6.40 |
|
LiM1 .2202 .8957 .4738 .06 2.52 |
|
MgM1 .2202 .8957 .4738 .25 2.52 |
|
FeM1 .2202 .8957 .4738 .69 2.52 |
|
FeM2 .2123 .0078 .2674 .88 |
|
FeM3 .1066 .0142 .1394 1.14 |
|
FeM4 .0222 .2496 .4036 .66 |
|
FeM5 .0334 .7434 .4004 .58 |
|
MnM6 .2044 .6992 .3517 .73 |
|
MnM7 .2193 .2945 .3432 .90 |
|
Al 0 .5 0 .38 |
|
P1 .1130 .0085 .3662 1.78 |
|
P2 .1303 .4670 .4246 .48 |
|
P3 .1259 .2518 .0385 .43 |
|
P4 .1023 .7673 .0474 .47 |
|
P5 .1304 .7241 .2115 .57 |
|
P6 .1425 .2972 .2045 .77 |
|
O1 .0250 .0614 .3675 1.10 |
|
O2 .1120 .8584 .3635 1.10 |
|
O3 .1426 .0770 .3220 2.17 |
|
O4 .1807 .0462 .4222 3.15 |
|
O5 .0501 .4448 .4450 .53 |
|
O6 .1213 .5879 .3924 .96 |
|
O7 .1301 .3445 .3871 .92 |
|
O8 .2103 .4637 .4733 1.44 |
|
O9 .0842 .1664 .0751 .89 |
|
O10 .0941 .3951 .0360 .71 |
|
O11 .1078 .8109 .4794 .96 |
|
O12 .2224 .2533 .0623 1.07 |
|
O13 .0467 .6428 .0482 .66 |
|
O14 .0652 .8719 .0794 .82 |
|
O15 .0961 .1861 .4874 1.16 |
|
O16 .1939 .7357 .0770 1.17 |
|
O17 .0484 .6785 .1703 1.21 |
|
O18 .1315 .6781 .2703 1.38 |
|
O19 .1395 .8773 .2088 1.70 |
|
O20 .2044 .6604 .1938 1.21 |
|
O21 .0583 .3402 .1653 1.21 |
|
O22 .1516 .3509 .2632 2.39 |
|
O23 .1489 .1447 .2052 1.15 |
|
O24 .2156 .3541 .1824 1.70 |
|
OH25 .2315 .0013 .1383 1.13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Arrojadite-(KNa) |
|
Steele I M |
| |
General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
|
Arrojadite: variations in space group and composition |
|
based on four new refinements |
|
Sample: red06ye |
|
Locality: Rapid Creek, Yukon, Canada |
|
_database_code_amcsd 0012657 |
|
16.549 10.053 24.618 90.00 106.55 90.00 Cc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al .26188 .99948 .20675 .0090 .0081 .0098 .0093 -.0005 .0030 -.0005 |
|
Ca .49493 .72432 .19056 .984 .0111 .0111 .0109 .0127 .0016 .0056 .0015 |
|
K1 .75734 .52011 -.04573 .902 .0309 .0224 .0216 .0553 .0023 .0216 .0020 |
|
Na1 .27631 .6859 -.02073 .996 .0271 .0238 .0262 .0303 .0047 .0064 .0002 |
|
Na2A .1336 .0173 .08367 .971 .0303 .049 .0168 .0154 -.0098 -.0071 .0019 |
|
Na2B .87933 .4854 .33112 .970 .0244 .0421 .0139 .0128 -.0043 .0008 .0001 |
|
Na3A .2564 .5048 .20892 .961 .0257 .0354 .0129 .0209 -.0047 -.0047 -.0024 |
|
Na3B .55234 .0668 .25287 .960 .0224 .0211 .0234 .0190 -.0018 -.0002 -.0062 |
|
Fe1 .98183 .88533 .17886 .89 .0126 .0115 .0107 .0172 -.0015 .0065 -.0027 |
|
Mg1 .98183 .88533 .17886 .11 .0126 .0115 .0107 .0172 -.0015 .0065 -.0027 |
|
Fe2A .04671 .51992 -.06256 .95 .0125 .0135 .0125 .0108 -.0017 .0026 -.0008 |
|
Mg2A .04671 .51992 -.06256 .05 .0125 .0135 .0125 .0108 -.0017 .0026 -.0008 |
|
Fe2B .47184 .51456 -.02650 .76 .0121 .0119 .0126 .0112 -.0001 .0024 -.0019 |
|
Mg2B .47184 .51456 -.02650 .24 .0121 .0119 .0126 .0112 -.0001 .0024 -.0019 |
|
Fe3A .36992 .51879 -.15516 .57 .0101 .0107 .0097 .0101 -.0002 .0032 -.0013 |
|
Mg3A .36992 .51879 -.15516 .43 .0101 .0107 .0097 .0101 -.0002 .0032 -.0013 |
|
Fe3B .15404 .51410 .06640 .43 .0102 .0110 .0098 .0098 .0008 .0028 .0011 |
|
Mg3B .15404 .51410 .06640 .57 .0102 .0110 .0098 .0098 .0008 .0028 .0011 |
|
Fe4A .23319 .74925 -.19937 .72 .0111 .0107 .0111 .0114 .0007 .0032 -.0003 |
|
Mg4A .23319 .74925 -.19937 .28 .0111 .0107 .0111 .0114 .0007 .0032 -.0003 |
|
Fe4B .28149 .74904 .11087 .78 .0094 .0090 .0105 .0087 -.0009 .0027 -.0008 |
|
Mg4B .28149 .74904 .11087 .22 .0094 .0090 .0105 .0087 -.0009 .0027 -.0008 |
|
Fe5A .22793 .75397 .30554 .97 .0104 .0095 .0126 .0095 -.0001 .0034 .0000 |
|
Mg5A .22793 .75397 .30554 .03 .0104 .0095 .0126 .0095 -.0001 .0034 .0000 |
|
Fe5B .79365 .74052 .10639 .93 .0104 .0086 .0120 .0107 .0003 .0027 -.0004 |
|
Mg5B .79365 .74052 .10639 .07 .0104 .0086 .0120 .0107 .0003 .0027 -.0004 |
|
Fe6A .05935 .80813 .35518 .94 .0147 .0133 .0210 .0091 -.0009 .0021 -.0004 |
|
Mg6A .05935 .80813 .35518 .06 .0147 .0133 .0210 .0091 -.0009 .0021 -.0004 |
|
Fe6B .96160 .69430 .05802 .92 .0121 .0127 .0156 .0075 .0003 .0021 -.0009 |
|
Mg6B .96160 .69430 .05802 .08 .0121 .0127 .0156 .0075 .0003 .0021 -.0009 |
|
Fe7A .47946 .80246 .04808 .92 .0141 .0128 .0202 .0086 .0057 .0019 -.0023 |
|
Mg7A .47946 .80246 .04808 .08 .0141 .0128 .0202 .0086 .0057 .0019 -.0023 |
|
Fe7B .04422 .79268 -.13948 .76 .0115 .0108 .0151 .0095 -.0021 .0041 -.0001 |
|
Mg7B .04422 .79268 -.13948 .24 .0115 .0108 .0151 .0095 -.0021 .0041 -.0001 |
|
P1A .17902 .49699 -.13108 .0110 .0112 .0122 .0104 .0003 .0045 -.0004 |
|
P1B .87411 .00690 .07398 .0099 .0107 .0102 .0100 -.0001 .0049 .0007 |
|
P2A .39154 .96492 .13161 .0100 .0102 .0094 .0111 .0007 .0043 -.0005 |
|
P2B .13165 .97190 -.21748 .0096 .0093 .0105 .0098 -.0003 .0039 -.0004 |
|
P3A .13595 .75125 .16697 .0090 .0093 .0100 .0089 -.0006 .0044 .0003 |
|
P3B .88776 .74495 .24841 .0095 .0089 .0099 .0095 -.0010 .0025 -.0018 |
|
P4A .65913 .76825 .15860 .0093 .0091 .0092 .0098 .0000 .0029 .0009 |
|
P4B .36510 .73439 .25473 .0093 .0097 .0103 .0084 .0011 .0032 .0001 |
|
P5A .89204 .73110 -.08148 .0100 .0109 .0096 .0099 .0001 .0034 -.0008 |
|
P5B .12654 .76826 .49385 .0107 .0102 .0112 .0105 -.0001 .0026 .0001 |
|
P6A .39573 .79932 -.08692 .0109 .0115 .0102 .0102 -.0012 .0020 -.0005 |
|
P6B .12012 .79938 -.00182 .0115 .0104 .0111 .0116 -.0003 .0009 -.0003 |
|
O1A .2373 .4766 -.06859 .0197 .021 .0246 .0129 -.0008 .0035 .0000 |
|
O1B .9388 .0441 .12986 .0169 .0194 .0147 .0148 -.0004 .0020 -.0005 |
|
O2A .1480 .6367 .34120 .0136 .0149 .0118 .0167 .0033 .0086 .0014 |
|
O2B .8725 .8540 .07095 .0141 .0167 .0107 .0156 .0000 .0059 .0024 |
|
O3A .2344 .5637 -.16290 .0174 .017 .0165 .0220 -.0011 .0110 .0036 |
|
O3B .2863 .5614 .07269 .0139 .0102 .0157 .0167 .0014 .0050 -.0002 |
|
O4A .1052 .5800 -.12632 .0164 .0179 .0147 .0208 .0056 .0125 -.0012 |
|
O4B .4004 .5704 .02512 .0196 .019 .024 .0190 .0049 .0098 .0048 |
|
O5A .1289 .8448 -.18385 .0138 .0118 .0147 .0190 .0020 .0108 .0030 |
|
O5B .3915 .8383 .09511 .0125 .0156 .0116 .0098 .0010 .0030 -.0044 |
|
O6A .3801 .0942 .09721 .0154 .0159 .0129 .0204 .0038 .0100 .0049 |
|
O6B .1442 .0983 -.18272 .0138 .0149 .0111 .0190 -.0010 .0105 -.0015 |
|
O7A .4717 .9597 .17947 .0152 .0128 .0163 .0155 .0022 .0023 -.0001 |
|
O7B .0493 .9804 -.26619 .0142 .014 .0127 .0136 -.0002 .0008 -.0005 |
|
O8A .3113 .9442 .15169 .0105 .0109 .0115 .0105 .0012 .0052 -.0024 |
|
O8B .2093 .9471 -.23913 .0125 .0129 .0134 .0124 .0024 .0055 -.0011 |
|
O9A .1761 .6663 .13014 .0144 .0135 .0167 .0140 -.0010 .0056 -.0013 |
|
O9B .8380 .8351 .27778 .0129 .0115 .0147 .0148 .0004 .0077 -.0021 |
|
O10A .1673 .8948 .16890 .0123 .0159 .0100 .0114 -.0022 .0047 -.0028 |
|
O10B .8571 .6019 .24623 .0122 .0106 .0119 .0140 -.0005 .0032 .0003 |
|
O11A .1549 .6902 .22613 .0153 .023 .0161 .0058 -.0039 .0029 .0002 |
|
O11B .8759 .7991 .18748 .0149 .018 .0162 .0132 -.0029 .0084 .0032 |
|
O12A .0384 .7545 .13981 .0146 .0126 .0173 .0145 -.0009 .0048 -.0043 |
|
O12B .9822 .7496 .27820 .0163 .0064 .0198 .0220 .0009 .0029 -.0044 |
|
O13A .6566 .8111 .21732 .0136 .0135 .0178 .0109 .0018 .0057 -.0020 |
|
O13B .3518 .6849 .19385 .0127 .0147 .0140 .0100 .0022 .0046 -.0005 |
|
O14A .6990 .8755 .12987 .0118 .0147 .0102 .0115 -.0007 .0057 .0027 |
|
O14B .3302 .6308 .28828 .0124 .0139 .0105 .0140 -.0003 .0055 -.0007 |
|
O15A .5702 .7321 .12394 .0140 .0074 .0187 .0142 -.0013 .0004 -.0029 |
|
O15B .4585 .7637 .28039 .0129 .0097 .0141 .0173 .0025 .0076 .0020 |
|
O16A .7169 .6452 .16027 .0109 .0125 .0089 .0113 .0005 .0032 -.0019 |
|
O16B .3089 .8572 .25584 .0116 .0119 .0112 .0118 .0025 .0036 .0023 |
|
O17A .8921 .8857 -.08184 .0184 .020 .0123 .0191 .0007 .0002 .0033 |
|
O17B .1222 .6167 .49726 .0205 .028 .0115 .0167 -.0018 -.0026 -.0015 |
|
O18A .8102 .6802 -.12288 .0140 .0123 .0183 .0098 .0005 .0005 -.0002 |
|
O18B .2058 .8209 .53694 .0136 .0125 .0128 .0139 -.0026 .0011 .0022 |
|
O19A .9664 .6809 -.10228 .0151 .0111 .0199 .0159 -.0003 .0061 .0008 |
|
O19B .0491 .8267 .50976 .0157 .013 .0186 .0157 .0033 .0043 -.0011 |
|
O20A .9000 .6769 -.02275 .0189 .021 .0198 .0150 -.0039 .0035 -.0007 |
|
O20B .1245 .8151 .43511 .0158 .016 .0203 .0098 -.0026 .0022 .0025 |
|
O21A .3909 .8357 -.02811 .0175 .020 .0178 .0133 .0047 .0021 -.0013 |
|
O21B .1187 .8428 -.06097 .0291 .038 .031 .0101 -.0182 -.0056 .0064 |
|
O22A .4096 .6475 -.08998 .0168 .027 .0084 .0114 .0019 .0001 -.0018 |
|
O22B .1113 .6469 -.00041 .0150 .018 .0115 .0162 -.0008 .0059 .0028 |
|
O23A .3133 .8387 -.13040 .0141 .016 .0102 .0141 .0008 .0005 -.0013 |
|
O23B .2066 .8354 .03858 .0179 .016 .0180 .0168 -.0032 .0001 .0005 |
|
O24A .4698 .8719 -.10107 .0183 .017 .0198 .0162 -.0060 .0023 .0039 |
|
O24B .0493 .8661 .01801 .0277 .017 .026 .037 .0081 .0025 -.0161 |
|
O25A .4931 .4968 -.15613 .0183 .011 .023 .022 -.0013 .0081 -.0004 |
|
O25B .0305 .4999 .07129 .0150 .017 .0138 .0141 .0016 .0040 .0034 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Arrojadite-(KNa) |
|
Steele I M |
| |
General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
|
Arrojadite: variations in space group and composition |
|
based on four new refinements |
|
Sample: arropala |
|
Locality: Palermo No. 1 mine, Groton, New Hampshire, USA |
|
_database_code_amcsd 0012658 |
|
16.531 10.0040 24.644 90.00 105.943 90.00 Cc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al .26167 .99887 .20654 .0049 .0055 .0028 .0064 -.0003 .0018 .0002 |
|
Sr .48669 .71368 .18636 .23 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
|
Ca .48669 .71368 .18636 .23 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
|
Fe .48669 .71368 .18636 .54 .01368 .0149 .0114 .0148 .0014 .0043 .0010 |
|
Ba .75613 .50461 -.04781 .06 .0197 .0120 .0287 .0214 .0037 .0094 .0033 |
|
K1A .75613 .50461 -.04781 .51 .0197 .0120 .0287 .0214 .0037 .0094 .0033 |
|
K1B .7605 .6446 -.0441 .17 .0082 |
|
Na1 .2804 .6832 -.01886 .589 .0187 .015 .024 .017 .0137 .0051 .0110 |
|
Na2A .1345 .0118 .08591 .945 .0247 .045 .0062 .0123 -.0048 -.0099 .0019 |
|
Na2B .87846 .4893 .32899 .947 .0098 .0155 .0041 .0074 -.0018 -.0010 .0000 |
|
Na3A .2614 .5023 .20652 .998 .0115 .0150 .0058 .0112 -.0018 -.0009 -.0008 |
|
Na3B .55256 .0539 .25049 .980 .0116 .0099 .0129 .0097 -.0021 -.0014 -.0022 |
|
Fe1 .98516 .88337 .18470 .96 .0075 .0073 .0060 .0096 -.0015 .0027 -.0032 |
|
Mg1 .98516 .88337 .18470 .04 .0075 .0073 .0060 .0096 -.0015 .0027 -.0032 |
|
Fe2A .04671 .51112 -.06381 .98 .0096 .0141 .0067 .0069 -.0019 .0010 -.0015 |
|
Mg2A .04671 .51112 -.06381 .02 .0096 .0141 .0067 .0069 -.0019 .0010 -.0015 |
|
Fe2B .47272 .50570 -.02527 .91 .0067 .0081 .0056 .0054 -.0005 -.0001 -.0005 |
|
Mg2B .47272 .50570 -.02527 .09 .0067 .0081 .0056 .0054 -.0005 -.0001 -.0005 |
|
Fe3A .37110 .51504 -.15429 .52 .0055 .0070 .0039 .0053 .0001 .0012 -.0006 |
|
Mg3A .37110 .51504 -.15429 .48 .0055 .0070 .0039 .0053 .0001 .0012 -.0006 |
|
Fe3B .15387 .51177 .06580 .56 .0049 .0060 .0028 .0050 .0008 .0001 .0009 |
|
Mg3B .15387 .51177 .06580 .44 .0049 .0060 .0028 .0050 .0008 .0001 .0009 |
|
Fe4A .23606 .74611 -.19800 .82 .0047 .0063 .0028 .0047 .0013 .0008 .0002 |
|
Mg4A .23606 .74611 -.19800 .18 .0047 .0063 .0028 .0047 .0013 .0008 .0002 |
|
Fe4B .27880 .74836 .10850 .84 .0060 .0058 .0040 .0074 .0003 .0007 -.0005 |
|
Mg4B .27880 .74836 .10850 .16 .0060 .0058 .0040 .0074 .0003 .0007 -.0005 |
|
Fe5A .22744 .75219 .30433 .99 .0051 .0059 .0040 .0050 .0000 .0007 -.0010 |
|
Mg5A .22744 .75219 .30433 .01 .0051 .0059 .0040 .0050 .0000 .0007 -.0010 |
|
Fe5B .79347 .74065 .10695 .99 .0058 .0064 .0046 .0060 -.0002 .0009 .0006 |
|
Mg5B .79347 .74065 .10695 .01 .0058 .0064 .0046 .0060 -.0002 .0009 .0006 |
|
Fe6A .05591 .80261 .35348 .90 .0079 .0093 .0084 .0055 -.0009 .0014 .0004 |
|
Mg6A .05591 .80261 .35348 .10 .0079 .0093 .0084 .0055 -.0009 .0014 .0004 |
|
Fe6B .96393 .69474 .05822 .93 .0066 .0085 .0059 .0052 .0004 .0015 .0002 |
|
Mg6B .96393 .69474 .05822 .07 .0066 .0085 .0059 .0052 .0004 .0015 .0002 |
|
Fe7A .48162 .79830 .04887 .89 .0066 .0085 .0071 .0040 .0027 .0010 -.0007 |
|
Mg7A .48162 .79830 .04887 .11 .0066 .0085 .0071 .0040 .0027 .0010 -.0007 |
|
Fe7B .04223 .78902 -.13981 .86 .0064 .0078 .0062 .0048 -.0014 .0011 .0008 |
|
Mg7B .04223 .78902 -.13981 .14 .0064 .0078 .0062 .0048 -.0014 .0011 .0008 |
|
P1A .87477 .00588 .07462 .0052 .0072 .0035 .0052 -.0001 .0018 -.0005 |
|
P1B .18060 .49527 -.12937 .0067 .0095 .0044 .0069 -.0015 .0035 -.0005 |
|
P2A .39013 .95864 .13120 .0053 .0073 .0033 .0053 .0000 .0016 .0004 |
|
P2B .13162 .96699 -.21767 .0049 .0061 .0035 .0045 -.0005 .0008 -.0005 |
|
P3A .13681 .74684 .16906 .0044 .0056 .0034 .0041 .0003 .0008 .0004 |
|
P3B .88714 .74808 .24583 .0050 .0058 .0033 .0057 -.0008 .0010 -.0002 |
|
P4A .65834 .76867 .16115 .0045 .0061 .0028 .0045 -.0001 .0016 -.0007 |
|
P4B .36724 .73522 .25388 .0054 .0071 .0034 .0048 .0006 .0002 .0009 |
|
P5A .88967 .72444 -.08280 .0058 .0086 .0037 .0046 .0015 .0008 -.0004 |
|
P5B .12898 .77651 .49440 .0060 .0064 .0044 .0069 -.0006 .0014 .0003 |
|
P6A .40234 .79605 -.08916 .0079 .0114 .0024 .0077 .0004 -.0011 -.0005 |
|
P6B .11464 .79483 .00011 .0079 .0079 .0054 .0076 -.0016 -.0026 .0000 |
|
O1A .2373 .4679 -.06651 .0220 .020 .038 .0063 -.004 .0015 .0037 |
|
O1B .9403 .0401 .13059 .0111 .014 .0071 .0092 .0015 -.0014 -.0008 |
|
O2A .1470 .6350 .34113 .0069 .010 .0033 .0078 .0019 .0028 .0004 |
|
O2B .8723 .8525 .06839 .0083 .011 .0053 .0104 -.0011 .0050 .0000 |
|
O3A .2403 .5602 -.15950 .0107 .013 .0075 .0134 -.0020 .0070 -.0015 |
|
O3B .2868 .5594 .07475 .0068 .0052 .0054 .0094 .0001 .0013 -.0034 |
|
O4A .1086 .5828 -.12411 .0164 .021 .0091 .025 .0018 .0157 -.0002 |
|
O4B .4024 .5752 .02679 .0144 .021 .012 .0144 .0041 .0122 .0048 |
|
O5A .1341 .8464 -.17891 .0079 .011 .0057 .0076 -.0018 .0041 -.0009 |
|
O5B .3864 .8385 .09027 .0086 .011 .0049 .011 -.0024 .0048 -.0067 |
|
O6A .3848 .0949 .10266 .0086 .011 .0051 .0116 .0020 .0052 .0020 |
|
O6B .1397 .1015 -.18755 .0086 .012 .0062 .0075 .0005 .0024 .0009 |
|
O7A .4701 .9359 .17945 .0097 .008 .0117 .0084 .0038 .0012 .0033 |
|
O7B .0502 .9630 -.26660 .0078 .011 .0048 .0058 -.0028 -.0007 .0008 |
|
O8A .3080 .9412 .15010 .0056 .0045 .0057 .0084 -.0024 .0050 -.0007 |
|
O8B .2109 .9432 -.23855 .0066 .008 .0047 .0057 -.0011 -.0013 .0003 |
|
O9A .1755 .6655 .12955 .0068 .008 .0056 .0078 .0008 .0030 -.0018 |
|
O9B .8438 .8332 .28145 .0089 .012 .0067 .0098 -.0014 .0059 .0004 |
|
O10A .1662 .8925 .17222 .0069 .012 .0018 .0070 .0019 .0021 .0018 |
|
O10B .8571 .6027 .24318 .0059 .0059 .0052 .0055 -.0016 -.0007 -.0019 |
|
O11A .1595 .6803 .22693 .0076 .010 .0080 .0053 -.0014 .0020 -.0022 |
|
O11B .8682 .8119 .18562 .0093 .012 .0070 .0087 -.0001 .0019 .0043 |
|
O12A .0394 .7509 .14521 .0069 .0044 .0060 .0110 -.0026 .0031 -.0032 |
|
O12B .9835 .7549 .26869 .0101 .010 .0049 .014 .0005 .0016 -.0028 |
|
O13A .6659 .8187 .22086 .0075 .012 .0039 .0069 .0024 .0036 -.0003 |
|
O13B .3558 .6856 .19318 .0074 .011 .0060 .0055 .0007 .0023 -.0021 |
|
O14A .6946 .8721 .12729 .0063 .0069 .0055 .0052 -.0003 -.0003 .0016 |
|
O14B .3327 .6307 .28725 .0075 .012 .0042 .0068 .0007 .0044 -.0003 |
|
O15A .5664 .7347 .13112 .0093 .004 .0103 .0117 -.0001 -.0006 -.0012 |
|
O15B .4601 .7650 .27885 .0085 .007 .0067 .0104 -.0024 .0005 .0015 |
|
O16A .7145 .6434 .16005 .0052 .0078 .0019 .0058 .0006 .0019 -.0016 |
|
O16B .3104 .8583 .25525 .0066 .008 .0050 .0052 .0015 -.0007 .0014 |
|
O17A .8946 .8788 -.08334 .0138 .018 .0056 .0123 .0013 -.0058 .0000 |
|
O17B .1184 .6232 .49746 .0176 .027 .0047 .014 .0006 -.0070 .0028 |
|
O18A .8071 .6777 -.12400 .0092 .010 .0089 .0079 .0012 .0009 -.0002 |
|
O18B .2123 .8217 .53560 .0108 .009 .0088 .0103 -.0030 -.0040 .0048 |
|
O19A .9622 .6647 -.10367 .0105 .009 .012 .0108 .0014 .0021 -.0043 |
|
O19B .0553 .8406 .51341 .0125 .009 .019 .0098 .0042 .0039 -.0023 |
|
O20A .8943 .6729 -.02411 .0129 .014 .015 .0093 -.0057 .0034 .0004 |
|
O20B .1267 .8217 .43494 .0107 .016 .0117 .0040 -.0012 .0024 .0014 |
|
O21A .4068 .8461 -.03002 .0310 .053 .020 .010 .025 -.009 -.0051 |
|
O21B .1021 .8534 -.05808 .0254 .039 .018 .009 -.019 -.010 .0077 |
|
O22A .4121 .6440 -.08930 .0096 .018 .0001 .0091 -.0032 .0006 .0015 |
|
O22B .1091 .6407 -.00151 .0092 .012 .0058 .0079 -.0040 .0000 .0006 |
|
O23A .3188 .8378 -.12982 .0075 .014 .0030 .0050 .0005 .0021 -.0021 |
|
O23B .2015 .8354 .03764 .0139 .015 .013 .012 -.0077 .0000 .0006 |
|
O24A .4741 .8590 -.1099 .0183 .010 .011 .028 -.0038 -.0044 .0065 |
|
O24B .0436 .8498 .02553 .0154 .012 .010 .022 .0039 -.0001 -.0076 |
|
O25A .4934 .4975 -.15736 .0095 .006 .011 .012 -.0017 .0029 -.0052 |
|
O25B .0305 .4989 .07229 .0077 .012 .0025 .0070 -.0022 .0001 -.0010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Arrojadite-(KFe) |
| |
Krutik V M, Pushcharovskii D Y, Podebimskaya E A, Belov N V |
| |
Kristallografiya 24 (1979) 743-750 |
|
Crystal structure of arrojadite |
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Locality: Nickel Plate mine, South Dakota, USA |
|
_database_code_amcsd 0014185 |
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16.476 24.581 9.996 90 90 105.79 B2/b |
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atom x y z occ Biso |
|
FeX1 .4664 .6001 .2550 .84 |
|
FeX2 .4783 .5969 .7497 1.42 |
|
FeX3 .2958 .6478 .2986 1.12 |
|
FeX4 .2816 .6570 .7057 1.58 |
|
MnX5 .2882 .7327 -.0113 1.02 |
|
FeX6 .3936 .3601 .0155 .86 |
|
FeX7 .2218 .4761 .3920 1.52 |
|
AlX8 0 0 0 .85 |
|
NaA1 0 .25 -.0018 .25 .71 |
|
KA1 0 .25 -.0018 .25 .71 |
|
BaA1 0 .25 -.0018 .25 .71 |
|
SrA1 0 .25 -.0018 .25 .71 |
|
NaA2 .5 .5 0 1.81 |
|
NaA3 .1331 .1207 .0155 .5 .89 |
|
CaA3 .1331 .1207 .0155 .5 .89 |
|
P1 .3734 .4606 .2512 .37 |
|
P2 .3694 .5765 .5340 .51 |
|
P3 .3569 .2946 .3004 .64 |
|
P4 .3704 .2879 .7260 .47 |
|
P5 .3864 .6298 -.0102 2.12 |
|
P6 .3981 .4523 .7684 .55 |
|
O1 .3913 .5197 .1878 .94 |
|
O2 .2766 .4363 .2568 1.46 |
|
O3 .4146 .4236 .1662 .70 |
|
O4 .4043 .4631 .3958 .68 |
|
O5 .2908 .0285 .4631 1.64 |
|
O6 .1201 .3904 .0975 1.24 |
|
O7 .3703 .6138 .6580 1.06 |
|
O8 .4491 .5549 .5561 .47 |
|
O9 .4414 .3348 .3465 1.10 |
|
O10 .2824 .3170 .3583 1.49 |
|
O11 .3491 .2354 .3548 1.83 |
|
O12 .3518 .2941 .1418 .85 |
|
O13 .4534 .3293 .6754 1.18 |
|
O14 .2938 .3062 .6665 1.29 |
|
O15 .3683 .2291 .6744 1.14 |
|
O16 .1298 .2105 .3813 1.86 |
|
O17 .3882 .6380 .1392 1.10 |
|
O18 .4748 .1320 .0630 .89 |
|
O19 .3545 .1765 .0799 2.04 |
|
O20 .3179 .0741 .0405 .34 4.05 |
|
OH20 .3179 .0741 .0405 .33 4.05 |
|
F20 .3179 .0741 .0405 .33 4.05 |
|
O21 .0457 .0486 .1463 .49 |
|
O22 .0640 .0800 .3704 .79 |
|
O23 .1952 .0766 .2340 1.02 |
|
O24 .4053 .0133 .1853 .34 1.02 |
|
OH24 .4053 .0133 .1853 .33 1.02 |
|
F24 .4053 .0133 .1853 .33 1.02 |
|
F25 .2311 .1392 .4979 1.41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Arrojadite |
|
Yakubovich O V, Matviyenko Y N, Simonov M A, Melnikov O K |
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Vestnik Moskovskogo Universiteta Geologiya 41 (1986) 36-47 |
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The crystalline structure of synthetic Fe3+-arrojadites with |
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the idealized formula K2Na5Fe2+14Fe3+(PO4)12(OH)2 |
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Locality: synthetic |
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Note: the number of errors and/or typos in this paper is large |
|
_database_code_amcsd 0015708 |
|
16.53 10.084 24.64 90 105.75 90 C2/c |
|
atom x y z occ Biso |
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Fe1 0 0 0 .51 |
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Fe2 .39086 .9858 .85696 .88 |
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Fe3 .53328 .2566 .40047 .74 |
|
Fe4 .02187 .2523 .40101 1.03 |
|
Fe5 .29910 .3005 .14731 .97 |
|
Fe6 .21735 .4969 .26753 1.10 |
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Fe7 .2191 .2077 .34131 .84 .96 |
|
Fe8 .2732 .1081 .0192 .60 1.17 |
|
Fe9 .2254 .2921 .4773 .40 .95 |
|
Fe10 .2108 .2395 .3428 .16 1.0 |
|
Fe11 .2566 .139 .0112 .09 1.4 |
|
P1 .1279 .2544 .0389 .73 |
|
P2 .3696 .2770 .2875 .70 |
|
P3 .1467 .2064 .2035 .92 |
|
P4 .3932 .2287 .4514 .89 |
|
P5 .1309 .0388 .4213 .76 |
|
P6 .3809 .9933 .1316 .75 1.05 |
|
P7 .4214 .0095 .3238 .25 .7 |
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Na1 0 .5 0 2.4 |
|
Na2 .1229 .9876 .1218 .70 2.7 |
|
Na3 .4733 .186 .2240 .32 2.9 |
|
Na4 .2902 .032 .0449 .25 1.2 |
|
Na5 .3304 .481 .3891 .30 1.3 |
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Na6 .25 .25 .5 .28 2.3 |
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K1 0 .0087 .25 2.82 |
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K2 0 .318 .25 .36 4.1 |
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K3 .5 .059 .25 .36 3.1 |
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O1 .2364 .4979 .1419 1.1 |
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O2 .3598 .1241 .2896 1.7 |
|
O3 .0607 .1621 .1670 1.6 |
|
O4 .3940 .1833 .0207 1.2 |
|
O5 .1500 .3586 .2066 1.3 |
|
O6 .0989 .3168 .4883 1.5 |
|
O7 .4529 .3181 .3285 1.3 |
|
O8 .1277 .1554 .3798 1.0 |
|
O9 .0297 .4399 .3686 1.4 |
|
O10 .4498 .3519 .4491 .7 |
|
O11 .2251 .2603 .0610 1.1 |
|
O12 .0494 .0615 .4402 1.0 |
|
O13 .1602 .1470 .2620 2.0 |
|
O14 .1024 .1082 .0363 .9 |
|
O15 .0848 .3337 .0758 1.0 |
|
O16 .3888 .1434 .1386 1.2 |
|
O17 .1894 .4668 .4247 .75 2.4 |
|
O18 .1496 .4269 .3223 1.9 |
|
O19 .2170 .1541 .1783 1.6 |
|
O20 .3761 .4027 .1059 1.0 |
|
O21 .3017 .2616 .4223 1.5 |
|
O22 .2093 .0511 .4711 1.9 |
|
O23 .3670 .3238 .2284 1.4 |
|
O24 .4308 .1245 .4195 1.2 |
|
O25 .2968 .3430 .3069 1.4 |
|
OH26 .473 .024 .2292 .25 3.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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