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Fluorarrojadite-(KFe) |
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Steele I M |
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General Meeting of the International Mineralogical Association 18 (2002) MO2-117 |
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Arrojadite: variations in space group and composition |
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based on four new refinements |
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Sample: arronpc |
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Locality: Nickel Plate mine, South Dakota, USA |
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_database_code_amcsd 0012655 |
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16.506 10.036 24.723 90.00 105.67 90.00 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al 0 .5 0 .0090 .0094 .0098 .0078 .0009 .0025 .0002 |
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K 0 .5029 .25 .908 .0461 .0263 .043 .079 .000 .0316 .000 |
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Ca .23192 .2211 .48459 .584 .0276 .0276 .0274 .0355 .0141 .0218 .0166 |
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Fe 0 .074 .25 .78 .0121 .0067 .020 .0125 .000 .0074 .000 |
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Na1 0 .074 .25 .22 .0121 .0067 .020 .0125 .000 .0074 .000 |
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Na2 .1303 .5145 .11992 .991 .060 .113 .0181 .022 .0148 -.029 -.0032 |
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Na3 0 0 0 .95 .0285 .038 .015 .023 .0040 -.0092 .0015 |
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Fe1 -.22039 .89674 .02629 .48 .0319 .0208 .0370 .0438 .0144 .0185 .0257 |
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Mg1 -.22039 .89674 .02629 .52 .0319 .0208 .0370 .0438 .0144 .0185 .0257 |
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Fe2 .21268 .00732 .26725 .89 .0139 .0157 .0131 .0111 .0007 .0008 .0002 |
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Mg2 .21268 .00732 .26725 .11 .0139 .0157 .0131 .0111 .0007 .0008 .0002 |
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Fe3 .10609 .01445 .13958 .71 .0119 .0128 .0111 .0105 .0003 .0010 -.0011 |
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Mg3 .10609 .01445 .13958 .29 .0119 .0128 .0111 .0105 .0003 .0010 -.0011 |
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Fe4 .02220 .24976 .40347 .95 .0126 .0137 .0114 .0130 -.0019 .0042 -.0016 |
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Mg4 .02220 .24976 .40347 .05 .0126 .0137 .0114 .0130 -.0019 .0042 -.0016 |
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Fe5 .03367 .74347 .40044 .95 .0110 .0088 .0135 .0106 -.0002 .0024 .0002 |
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Mg5 .03367 .74347 .40044 .05 .0110 .0088 .0135 .0106 -.0002 .0024 .0002 |
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Fe6 .20440 .69978 .35169 .88 .0135 .0141 .0166 .0097 -.0011 .0029 .0008 |
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Mg6 .20440 .69978 .35169 .12 .0135 .0141 .0166 .0097 -.0011 .0029 .0008 |
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Fe7 .21921 .29450 .34269 .88 .0168 .0147 .0245 .0113 .0056 .0038 -.0013 |
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Mg7 .21921 .29450 .34269 .12 .0168 .0147 .0245 .0113 .0056 .0038 -.0013 |
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O1 .1812 .0442 .4216 .0529 .038 .044 .070 -.007 .003 -.011 |
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O2 .1121 -.1413 .3630 .0179 .018 .016 .024 .0029 .0131 .0027 |
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O3 .0256 .0618 .3675 .0169 .016 .014 .024 .0002 .0117 -.0032 |
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O4 .1426 .0773 .3210 .0369 .048 .026 .052 .010 .040 .015 |
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O5 .3697 .1563 .6130 .0173 .015 .016 .024 -.0020 .0109 -.0053 |
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O6 .3786 -.0972 .6077 .0169 .016 .014 .024 .0018 .0101 .0016 |
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O7 .2893 .0371 .5271 .0230 .013 .035 .018 .001 -.0001 -.002 |
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O8 .4495 .0554 .55508 .0126 .0125 .013 .0129 -.0005 .0052 -.0017 |
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O9 -.0845 .8339 -.07463 .0155 .016 .014 .018 .0004 .0079 .0028 |
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O10 -.0945 .6050 -.03595 .0132 .014 .012 .013 .0014 .0018 .0006 |
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O11 -.1084 .8114 .02029 .0169 .021 .018 .011 .0052 .0027 -.0019 |
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O12 -.2228 .7467 -.0627 .0180 .011 .020 .021 .0012 .0009 .0049 |
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O13 .4038 .3142 .51222 .0174 .026 .016 .011 .0034 .0064 -.0006 |
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O14 .4353 .3721 .42072 .0145 .017 .012 .015 .0005 .0060 .0037 |
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O15 .3062 .2364 .4226 .0193 .010 .022 .022 -.0002 -.0009 .0037 |
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O16 .4532 .1430 .45170 .0130 .0130 .012 .014 .0018 .0027 .0023 |
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O17 .3607 .3764 .2910 .0290 .045 .013 .020 .002 -.007 -.0003 |
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O18 .4520 .1775 .3293 .0238 .021 .024 .022 .000 -.0030 -.003 |
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O19 .2960 .1602 .3059 .0209 .019 .024 .022 -.0025 .0083 .0008 |
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O20 .3699 .1774 .2296 .0237 .031 .026 .013 .002 .0049 -.0007 |
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O21 .1517 .3543 .2628 .0394 .065 .027 .015 .018 -.009 -.007 |
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O22 .1475 .1451 .20548 .0211 .034 .010 .014 .0001 -.0023 .0001 |
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O23 .0582 .3419 .1652 .0215 .022 .020 .019 .0022 -.0017 -.0011 |
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O24 .2155 .3530 .1821 .0262 .022 .021 .031 -.006 .000 .006 |
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F .2693 .5022 .3614 .0296 .027 .027 .035 .0008 .0101 -.0001 |
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P1A .11396 .0089 .36659 .760 .0149 .0149 .0121 .022 .0008 .0114 .0030 |
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P1B .0792 -.0060 .3342 .198 .003 .005 .004 .000 .000 .001 .001 |
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P2 .36946 .03325 .57555 .0113 .0102 .0124 .0119 -.0004 .0042 -.0012 |
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P3 -.12621 .74833 -.03851 .0100 .0091 .0114 .0093 .0012 .0023 .0010 |
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P4 .39758 .26751 .45243 .0106 .0111 .0104 .0100 .0006 .0025 .0009 |
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P5 .37030 .22356 .28814 .0128 .0154 .0117 .0101 -.0013 .0015 -.0003 |
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P6 .14239 .29777 .20441 .0158 .0209 .0112 .0119 -.0004 -.0015 -.0002 |
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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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Fluorarrojadite-(KFe) |
| |
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 |
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Sample: arro135C |
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Locality: Chandler Mills quarry, Newport, New Hampshire, USA |
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_database_code_amcsd 0012656 |
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16.459 10.018 24.597 90.00 105.78 90.00 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al .5 0 .5 .0103 .0119 .0082 .0112 -.0008 .0036 .0003 |
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Pb .5 .00372 .25 .17 .0338 .0213 .0321 .0531 .000 .0190 .000 |
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K .5 .00372 .25 .83 .0338 .0213 .0321 .0531 .000 .0190 .000 |
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Sr .23219 .2202 .48476 .08 .0297 .0307 .0274 .0390 .0136 .0230 .0161 |
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Ca .23219 .2202 .48476 .42 .0297 .0307 .0274 .0390 .0136 .0230 .0161 |
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Na 0 .047 .25 .21 .0580 .0121 .146 .0210 .000 .013 .000 |
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Na2 .3676 .0163 .37937 .958 .0515 .095 .0154 .022 -.0101 -.023 .0022 |
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Na3 .5 .5 .5 .98 .0310 .039 .012 .032 -.0040 -.008 -.0001 |
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Fe1 .72100 .3936 .47464 .34 .0325 .0233 .0347 .0449 -.0145 .0185 -.0248 |
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Mg1 .72100 .3936 .47464 .66 .0325 .0233 .0347 .0449 -.0145 .0185 -.0248 |
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Fe2 .21185 .01091 .26734 .91 .0154 .0186 .0117 .0146 .0000 .0023 .0000 |
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Mg2 .21185 .01091 .26734 .09 .0154 .0186 .0117 .0146 .0000 .0023 .0000 |
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Fe3 .39353 .51496 .36022 .42 .0131 .0156 .0098 .0130 -.0001 .0024 .0011 |
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Mg3 .39353 .51496 .36022 .58 .0131 .0156 .0098 .0130 -.0001 .0024 .0011 |
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Fe4 .47781 .24978 .59697 .89 .0140 .0160 .0105 .0159 -.0017 .0049 -.0012 |
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Mg4 .47781 .24978 .59697 .11 .0140 .0160 .0105 .0159 -.0017 .0049 -.0012 |
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Fe5 .53393 .24390 .40016 .96 .0132 .0125 .0131 .0140 -.0005 .0035 -.0003 |
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Mg5 .53393 .24390 .40016 .04 .0132 .0125 .0131 .0140 -.0005 .0035 -.0003 |
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Fe6 .79560 .29890 .64802 .88 .0155 .0171 .0170 .0117 -.0026 .0028 .0004 |
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Mg6 .79560 .29890 .64802 .12 .0155 .0171 .0170 .0117 -.0026 .0028 .0004 |
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Fe7 .21852 .29257 .34338 .86 .0184 .0169 .0235 .0146 .0063 .0040 -.0014 |
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Mg7 .21852 .29257 .34338 .14 .0184 .0169 .0235 .0146 .0063 .0040 -.0014 |
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O1 .1809 .0418 .4232 .061 .053 .057 .068 -.010 .006 -.017 |
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O2 .1119 -.1398 .3628 .0190 .021 .014 .024 .0023 .0108 .0021 |
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O3 .0250 .0625 .3675 .0175 .019 .014 .022 .0002 .0103 -.0016 |
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O4 .1465 .0801 .3238 .0353 .048 .021 .050 .008 .037 .012 |
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O5 .3704 .1565 .6140 .0178 .018 .015 .023 -.0016 .0109 -.0062 |
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O6 .3796 -.0969 .6092 .0203 .022 .013 .029 -.0010 .012 .0004 |
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O7 .2890 .0364 .5277 .0258 .017 .037 .020 -.001 .001 -.005 |
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O8 .4493 .0556 .55528 .0133 .013 .013 .015 .0003 .0060 -.0003 |
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O9 .5848 .3334 .5759 .0166 .021 .012 .019 -.0010 .0102 -.0032 |
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O10 .5947 .1042 .53653 .0144 .014 .011 .019 -.0017 .0036 .0004 |
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O11 .6081 .3109 .48000 .0190 .026 .018 .013 -.0059 .0048 -.0001 |
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O12 .7227 .2466 .5639 .0192 .013 .017 .026 .0013 .0037 -.0039 |
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O13 .4036 .3143 .5119 .0191 .028 .014 .014 .0029 .0055 -.0003 |
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O14 .4345 .3719 .4198 .0163 .019 .012 .018 -.0001 .0074 .0023 |
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O15 .3057 .2347 .4223 .0199 .014 .017 .026 -.0020 -.0013 .0018 |
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O16 .4538 .1431 .45174 .0139 .016 .010 .016 .0013 .0051 -.0001 |
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O17 .3653 .3796 .2901 .0236 .035 .009 .020 .001 -.004 -.0001 |
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O18 .4518 .1752 .3289 .0191 .019 .016 .019 .0009 .0004 .0000 |
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O19 .2946 .1668 .3058 .0192 .018 .021 .019 -.0021 .0057 .0022 |
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O20 .3685 .1758 .2289 .0215 .029 .019 .016 .003 .004 -.0001 |
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O21 .1484 .3515 .2647 .0294 .041 .024 .017 .013 -.002 -.007 |
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O22 .1480 .1459 .2054 .0204 .029 .009 .019 .0017 .000 -.0007 |
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O23 .0577 .3442 .1661 .0204 .022 .017 .019 .0040 -.0010 -.0025 |
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O24 .2155 .3572 .1846 .0228 .019 .019 .028 -.0032 .002 .006 |
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F .2697 .4988 .3605 .0316 .024 .035 .036 .0015 .010 .005 |
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P1A .11319 .0091 .36621 .783 .0252 .0288 .0111 .045 .0034 .0263 .0057 |
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P1B .0778 -.0038 .3329 .087 .003 .000 .000 .000 -.002 -.016 -.004 |
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P2 .36949 .03287 .57610 .0127 .0128 .0114 .0143 -.0007 .0044 -.0016 |
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P3 .62628 .24833 .53920 .0115 .0122 .0089 .0135 -.0014 .0037 -.0012 |
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P4 .39727 .26758 .45204 .0119 .0141 .0088 .0127 .0003 .0034 .0013 |
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P5 .37045 .22589 .28776 .0127 .0147 .0090 .0138 .0005 .0028 .0004 |
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P6 .14201 .29888 .20572 .0143 .0165 .0103 .0143 .0005 .0011 -.0001 |
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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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Total number of retrieved datasets: 