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Ferriallanite-(Ce) |
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Kartashov P M, Ferraris G, Ivaldi G, Sokolova E V, McCammon C A |
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The Canadian Mineralogist 41 (2003) 829-830 |
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Ferriallanite-(Ce), CaCeFeAlFe(SiO4)(Si2O7)O(OH), a new member of the |
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epidote group: Description, X-ray and Mossbauer study: Errata |
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Note: supercedes data from The Canadian Mineralogist 40 (2002) 1641-1648 |
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_database_code_amcsd 0005860 |
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8.962 5.836 10.182 90 115.02 90 P2_1/m |
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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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CaA1 .75593 3/4 .14914 .97 .0129 .0199 .0098 .0139 0 .0120 0 |
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CeA1 .75593 3/4 .14914 .03 .0129 .0199 .0098 .0139 0 .0120 0 |
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CeA2 .5930 3/4 .42969 .89 .0101 .0073 .0141 .0080 0 .0023 0 |
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CaA2 .5930 3/4 .42969 .11 .0101 .0073 .0141 .0080 0 .0023 0 |
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Si1 .3426 3/4 .03835 .0069 .0060 .0072 .0073 0 .0027 0 |
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Si2 .6854 1/4 .27559 .0079 .0069 .0083 .0094 0 .0043 0 |
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Si3 .1930 3/4 .32639 .94 .0066 .0050 .0075 .0074 0 .0027 0 |
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Al3 .1930 3/4 .32639 .06 .0066 .0050 .0075 .0074 0 .0027 0 |
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FeM1 0 0 0 .80 .0068 .0057 .0063 .0084 -.0001 .0029 .0005 |
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TiM1 0 0 0 .14 .0068 .0057 .0063 .0084 -.0001 .0029 .0005 |
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AlM1 0 0 0 .06 .0068 .0057 .0063 .0084 -.0001 .0029 .0005 |
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AlM2 0 0 1/2 .56 .0077 .0060 .0070 .0093 .0004 .0023 -.0007 |
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FeM2 0 0 1/2 .44 .0077 .0060 .0070 .0093 .0004 .0023 -.0007 |
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FeM3 .30699 1/4 .21701 .93 .0095 .0058 .0106 .0100 0 .0012 0 |
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MnM3 .30699 1/4 .21701 .07 .0095 .0058 .0106 .0100 0 .0012 0 |
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O1 .2382 .9863 .0256 .0100 .0088 .0068 .0160 .0010 .0068 .0002 |
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O2 .3169 .9691 .3670 .0098 .0082 .0097 .0106 -.0017 .0031 .0003 |
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O3 .7955 .0178 .3304 .0125 .0103 .0077 .0152 .0004 .0013 -.0012 |
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O4 .0627 1/4 .1374 .0093 .0075 .0107 .0079 0 .0016 0 |
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O5 .0525 3/4 .1558 .0101 .0098 .0109 .0085 0 .0030 0 |
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O6 .0742 3/4 .4132 .0104 .0098 .0118 .0130 0 .0075 0 |
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O7 .5102 3/4 .1814 .0123 .0100 .0150 .0099 0 .0020 0 |
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O8 .5445 1/4 .3325 .0168 .0080 .032 .012 0 .0055 0 |
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O9 .6041 1/4 .0977 .0144 .015 .020 .0098 0 .0064 0 |
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O10 .0937 1/4 .4316 .0115 .01 .014 .011 0 .0054 0 |
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H .083 1/4 .358 .05 |
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Paravinogradovite |
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Khomyakov A P, Kulikova I E, Sokolova E V, Hawthorne F C, Kartashov P M |
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The Canadian Mineralogist 41 (2003) 989-1002 |
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Paravinogradovite, (Na,_)2[(Ti,Fe)4{Si2O6}2{Si3AlO10}(OH)4]H2O, a new mineral species |
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from the Khibina Alkaline Massif, Kola Penninsula, Russia: Description and crystal structure |
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Locality: Khibina Alkaline Massif, Kola Penninsula, Russia |
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_database_code_amcsd 0005880 |
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5.2533 8.7411 12.9480 70.466 78.472 89.932 P1 |
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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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NaX(1) -.0044 .4533 .2092 .76 .0213 .022 .017 .027 .0033 -.0120 -.0075 |
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NaX(2) -.5125 -.1599 .2099 .43 .018 .014 .026 .017 .007 -.009 -.008 |
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NaX(3) -.522 .154 -.202 .16 .048 .054 .025 .09 .001 -.051 -.031 |
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NaA(1) -.144 -.007 -.5069 .18 .05 |
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NaA(2) -.338 -.009 -.4949 .20 .05 |
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NaA(3) .250 -.007 -.504 .15 .05 |
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NaA(4) .403 -.069 -.5053 .19 .05 |
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KA(5) -.167 .119 -.5018 .13 .05 |
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TiM(1) -.0026 .04863 .19107 .88 .0101 .0126 .0087 .0082 .0020 -.0024 -.0017 |
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FeM(1) -.0026 .04863 .19107 .12 .0101 .0126 .0087 .0082 .0020 -.0024 -.0017 |
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TiM(2) -.0129 -.04434 -.19148 .88 .0090 .0090 .0083 .0089 .0003 -.0004 -.0027 |
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FeM(2) -.0129 -.04434 -.19148 .12 .0090 .0090 .0083 .0089 .0003 -.0004 -.0027 |
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TiM(3) -.4946 .26018 .19098 .88 .0109 .0129 .0094 .0106 -.0011 .0003 -.0053 |
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FeM(3) -.4946 .26018 .19098 .12 .0109 .0129 .0094 .0106 -.0011 .0003 -.0053 |
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TiM(4) .4862 -.26523 -.18922 .88 .0086 .0080 .0104 .0077 -.0005 -.0002 -.0042 |
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FeM(4) .4862 -.26523 -.18922 .12 .0086 .0080 .0104 .0077 -.0005 -.0002 -.0042 |
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SiT(1) .2915 .3566 -.03811 .90 .0077 .0075 .0078 .0081 .0007 -.0007 -.0037 |
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AlT(1) .2915 .3566 -.03811 .10 .0077 .0075 .0078 .0081 .0007 -.0007 -.0037 |
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SiT(2) -.3067 -.3511 .03801 .0082 .0070 .0075 .0090 .0006 -.0027 -.0008 |
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SiT(3) -.2082 .1883 -.04019 .0079 .0066 .0109 .0065 .0020 -.0010 -.0035 |
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SiT(4) .1950 -.1767 .03601 .70 .0068 .0049 .0064 .0092 -.0008 -.0010 -.0029 |
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BeT(4) .1950 -.1767 .03601 .30 .0068 .0049 .0064 .0092 -.0008 -.0010 -.0029 |
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SiT(5) .2062 .3336 -.36896 .0109 .0123 .0107 .0074 -.0002 -.0009 -.0005 |
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SiT(6) -.6435 .4611 .37055 .0109 .0099 .0134 .0088 .0004 -.0012 -.0034 |
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SiT(7) .7022 -.4672 -.36715 .0116 .0151 .0113 .0082 -.0015 .0006 -.0046 |
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SiT(8) -.1473 -.3384 .37178 .0081 .0082 .0068 .0085 -.0001 -.0002 -.0023 |
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O(1) .2298 .2759 .1001 .0089 .009 .006 .010 .0003 -.0023 -.001 |
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O(2) -.2727 .1280 .0982 .0092 .010 .009 .008 -.0013 -.0015 -.002 |
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O(3) .1820 -.0266 .0796 .0125 .013 .014 .015 .0026 -.004 -.010 |
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O(4) -.3190 .4508 .0874 .0127 .012 .011 .011 -.0035 -.0032 .002 |
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Oh(5) -.2230 .1845 .2703 .0090 .010 .009 .007 -.0020 .0009 -.002 |
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Oh(6) .2806 .0462 .2696 .0102 .013 .010 .006 -.0019 -.0028 -.001 |
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O(7) .0622 .2984 -.0880 .0117 .007 .017 .012 -.0074 -.0018 -.007 |
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O(8) .5633 .2926 -.0873 .0103 .008 .011 .011 .0024 -.0021 -.004 |
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O(9) -.1598 -.1403 .2851 .0138 .020 .011 .007 -.003 -.003 .002 |
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O(10) -.2439 -.3399 .5074 .0259 .047 .014 .014 .003 -.004 -.003 |
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O(11) -.6661 .3483 .2922 .0153 .016 .018 .017 .0035 -.004 -.010 |
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O(12) -.8384 .6044 .3455 .0182 .017 .019 .018 .0018 .0009 -.0092 |
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O(13) -.3498 .5320 .3436 .0199 .016 .019 .024 -.0019 -.0023 -.007 |
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Oh(14) .2123 -.1833 -.2710 .0144 .011 .021 .014 .010 -.007 -.008 |
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Oh(15) -.2848 -.0542 -.2727 .0141 .011 .014 .016 -.0005 -.001 -.005 |
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O(16) .2560 -.1311 -.0987 .0100 .007 .014 .008 -.0013 .0002 -.005 |
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O(17) -.2460 -.2707 -.0975 .0102 .011 .015 .004 -.0011 -.0028 -.000 |
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O(18) -.1855 .0323 -.0837 .0116 .009 .010 .017 .0020 -.0015 -.007 |
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O(19) -.0820 -.2910 .0875 .0103 .006 .015 .007 -.0017 -.0002 -.001 |
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O(20) .3102 .5513 -.0778 .0107 .011 .007 .014 .0039 -.0024 -.003 |
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O(21) -.5839 -.2929 .0880 .0128 .010 .018 .006 .0044 -.0011 .002 |
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O(22) .1528 .1419 -.2923 .0175 .015 .014 .017 -.008 .004 -.002 |
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O(23) .2698 .3409 -.4990 .0188 .027 .020 .006 -.001 .003 -.003 |
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O(24) .6509 -.3643 -.2839 .0197 .025 .023 .015 .008 -.003 -.012 |
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O(25) .9577 -.5687 -.3444 .0359 .034 .042 .027 .018 .001 -.009 |
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O(26) .4552 .4075 -.3431 .0312 .041 .027 .020 -.019 -.008 -.001 |
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Wat(27) .260 -.1620 -.5003 .48 .05 |
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Wat(28) -.316 .120 -.4936 .38 .05 |
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Wat(29) .092 -.065 -.4922 .31 .05 |
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H(1) -.239 .151 .3484 .0108 |
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H(2) .276 -.042 .345 .012 |
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H(3) .118 -.243 -.309 .017 |
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H(4) -.360 .029 -.298 .017 |
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Chevkinite-(Ce) |
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Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
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The Canadian Mineralogist 42 (2004) 1013-1025 |
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Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
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damage on site-occupancy refinement |
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Locality: Mongolia |
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Crystal (1) |
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_database_code_amcsd 0005956 |
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13.4319 5.7628 11.0914 90 100.629 90 C2/m |
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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) |
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CeA1 .35601 0 .73503 .0181 .0180 .0181 .0182 0 .0036 0 |
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CeA2 .06863 0 .74067 .0219 .0146 .0366 .0150 0 .0037 0 |
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Fe2+M1 .5 0 .5 .0217 .0328 .0188 .0137 0 .0049 0 |
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Fe3+M2 .25 .25 0 .0151 .0175 .0145 .0130 -.0002 .0022 .0005 |
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TiM3 0 0 0 .0139 .0142 .0155 .0126 0 .0045 0 |
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TiM4 .5 0 0 .0175 .0184 .0166 .0171 0 .0023 0 |
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Si1 .2008 .5 .7312 .0293 .0318 .0272 .0294 0 .0067 0 |
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Si2 .3567 .5 .5465 .0320 .0344 .0319 .0300 0 .0069 0 |
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O1 .4775 .2539 .8734 .0149 .015 .016 .014 -.003 .004 -.004 |
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O2 .1460 0 .9767 .0121 .013 .012 .013 0 .006 0 |
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O3 .1843 0 .5969 .0154 .021 .015 .010 0 .003 0 |
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O4 .3479 0 .9895 .0122 .012 .010 .015 0 .003 0 |
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O5 .4245 .2739 .5973 .0235 .030 .019 .019 .002 -.003 .011 |
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O6 .2285 -.7349 .8139 .0151 .027 .010 .009 .002 .002 .003 |
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O7 .0818 .5 .6726 .033 .010 .060 .027 0 -.001 0 |
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O8 .2648 .5 .6237 .040 .033 .068 .024 0 .023 0 |
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Chevkinite-(Ce) |
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Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
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The Canadian Mineralogist 42 (2004) 1013-1025 |
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Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
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damage on site-occupancy refinement |
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Locality: Mongolia |
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Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02) |
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(Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 |
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Crystal (2) |
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_database_code_amcsd 0005957 |
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13.534 5.789 11.159 90 100.57 90 C2/m |
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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) |
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CeA1 .35496 0 .73642 .0283 .0304 .0248 .0308 0 .0086 0 |
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CeA2 .06918 0 .74232 .0316 .0242 .0462 .0254 0 .0073 0 |
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Fe2+M1 .5 0 .5 .0347 .053 .0286 .0234 0 .0095 0 |
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Fe3+M2 .25 .25 0 .0231 .0284 .0204 .0206 .0003 .0045 .0005 |
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TiM3 0 0 0 .0209 .024 .019 .0222 0 .0085 0 |
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TiM4 .5 0 0 .0266 .0301 .0215 .0277 0 .0041 0 |
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Si1 .2020 .5 .7317 .0370 .041 .0303 .040 0 .0088 0 |
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Si2 .3576 .5 .5470 .0416 .046 .041 .038 0 .0093 0 |
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O1 .4776 .2532 .8744 .0223 .023 .026 .020 -.005 .0078 -.006 |
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O2 .1468 0 .9786 .020 .021 .017 .023 0 .006 0 |
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O3 .1827 0 .5957 .025 .036 .019 .019 0 .008 0 |
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O4 .3486 0 .9886 .021 .024 .019 .019 0 .005 0 |
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O5 .4247 .273 .5985 .037 .040 .037 .031 .003 -.005 .0172 |
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O6 .2286 -.7354 .8138 .0193 .036 .010 .012 .000 .004 .003 |
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O7 .0831 .5 .6737 .052 .016 .083 .053 0 -.004 0 |
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O8 .2654 .5 .6254 .053 .044 .083 .039 0 .030 0 |
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Chevkinite-(Ce) |
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Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
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The Canadian Mineralogist 42 (2004) 1013-1025 |
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Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
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damage on site-occupancy refinement |
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Locality: Mongolia |
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Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02) |
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(Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 |
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Crystal (2an) |
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_database_code_amcsd 0005958 |
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13.400 5.7232 11.0573 90 100.537 90 C2/m |
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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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CeA1 .35648 0 .73698 .0146 .0162 .0150 .0129 0 .0031 0 |
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CeA2 .07064 0 .74336 .0177 .0128 .0263 .0129 0 -.0005 0 |
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Fe2+M1 .5 0 .5 .85 .0119 .0141 .0151 .0049 0 -.0022 0 |
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CaM1 .5 0 .5 .05 .0119 .0141 .0151 .0049 0 -.0022 0 |
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MnM1 .5 0 .5 .04 .0119 .0141 .0151 .0049 0 -.0022 0 |
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YM1 .5 0 .5 .03 .0119 .0141 .0151 .0049 0 -.0022 0 |
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ZrM1 .5 0 .5 .03 .0119 .0141 .0151 .0049 0 -.0022 0 |
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Fe3+M2 .25 .25 0 .595 .0100 .0129 .0110 .0055 -.0003 .0004 .0001 |
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TiM2 .25 .25 0 .285 .0100 .0129 .0110 .0055 -.0003 .0004 .0001 |
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NbM2 .25 .25 0 .08 .0100 .0129 .0110 .0055 -.0003 .0004 .0001 |
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TiM3 0 0 0 .0163 .014 .02479 .010 0 .0023 0 |
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TiM4 .5 0 0 .0156 .012 .022 .011 0 -.0012 0 |
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Si1 .2020 .5 .7312 .0265 .030 .0248 .0240 0 .0031 0 |
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Si2 .3596 .5 .5442 .0302 .032 .032 .0252 0 .0027 0 |
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O1 .4781 .2522 .8732 .0109 .007 .017 .009 -.003 .000 -.003 |
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O2 .1467 0 .9786 .009 .009 .008 .009 0 .000 0 |
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O3 .1872 0 .5963 .012 .021 .013 .000 0 .001 0 |
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O4 .3478 0 .9886 .0048 .003 .007 .004 0 -.002 0 |
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O5 .4279 .269 .5905 .021 .019 .030 .012 .008 .000 .010 |
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O6 .2277 -.7360 .8142 .0098 .021 .006 .003 .001 .002 .001 |
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O7 .0851 .5 .6660 .028 .006 .048 .024 0 -.010 0 |
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O8 .2734 .5 .6308 .034 .027 .054 .028 0 .025 0 |
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| Download AMC data (View Text File)
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Chevkinite-(Ce) |
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Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
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The Canadian Mineralogist 42 (2004) 1013-1025 |
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Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
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damage on site-occupancy refinement |
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Locality: Mongolia |
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Reported formula: (Ce1.88 La1.01 Nd.61 Pr.19 Sm.06 Gd.03 Ca.27 Y.03 Th.02) |
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(Fe2+.93 Mn.06 Zr.01) (Ti2.55 Fe3+1.29 Nb.16) Si3.91 O22 |
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Crystal (3an) |
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_database_code_amcsd 0005959 |
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13.368 5.7243 11.041 90 100.516 90 C2/m |
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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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CeA1 .35694 0 .73625 .0183 .0216 .0207 .0125 0 .0029 0 |
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CeA2 .07052 0 .74265 .0211 .0178 .0334 .0114 0 .0012 0 |
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Fe2+M1 .5 0 .5 .93 .0173 .0208 .0226 .0079 0 .0013 0 |
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Mn2+M1 .5 0 .5 .06 .0173 .0208 .0226 .0079 0 .0013 0 |
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ZrM1 .5 0 .5 .01 .0173 .0208 .0226 .0079 0 .0013 0 |
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Fe3+M2 .25 .25 0 .645 .0127 .0176 .0144 .0057 .0006 .0007 .0001 |
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TiM2 .25 .25 0 .275 .0127 .0176 .0144 .0057 .0006 .0007 .0001 |
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NbM2 .25 .25 0 .08 .0127 .0176 .0144 .0057 .0006 .0007 .0001 |
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TiM3 0 0 0 .0152 .0143 .026 .0050 0 .0011 0 |
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TiM4 .5 0 0 .0194 .0186 .029 .0094 0 -.0003 0 |
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Si1 .2014 .5 .7310 .0296 .0333 .0318 .0233 0 .0038 0 |
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Si2 .3588 .5 .5447 .0332 .0368 .0385 .0227 0 .0013 0 |
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O1 .4780 .2517 .8734 .0148 .0141 .020 .010 -.002 .004 -.001 |
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O2 .1461 0 .9780 .0115 .012 .013 .008 0 .002 0 |
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O3 .1872 0 .5969 .0168 .023 .020 .008 0 .003 0 |
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O4 .3479 0 .9886 .0126 .017 .010 .011 0 .008 0 |
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O5 .4264 .2708 .5915 .0272 .027 .038 .014 .007 -.002 .013 |
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O6 .2273 -.7351 .8137 .0132 .026 .014 .000 .002 .001 .003 |
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O7 .0833 .5 .6683 .030 .016 .054 .016 0 -.007 0 |
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O8 .2719 .5 .6291 .041 .031 .077 .021 0 .021 0 |
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Vergasovaite |
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Berlepsch P, Armbruster T, Brugger J, Bykova E Y, Kartashov P M |
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European Journal of Mineralogy 11 (1999) 101-110 |
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The crystal structure of vergasovaite Cu3O[(Mo,S)O4SO4], |
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and its relation to synthetic Cu3O[MoO4]2 |
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_database_code_amcsd 0006764 |
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7.421 6.754 13.624 90 90 90 Pnma |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 0 0 1/2 1.62 .0129 .0161 .0195 -.0006 -.0006 -.0013 |
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Cu2 .8367 -1/4 .34104 2.27 .0320 .0219 .0142 0 -.0023 0 |
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Cu3 .6731 -1/4 .55569 2.29 .0212 .0199 .0276 0 .0096 0 |
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Mo1 .74740 1/4 .31217 .742 1.53 .0130 .0157 .0172 0 -.0005 0 |
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S1 .74740 1/4 .31217 .258 1.53 .0130 .0157 .0172 0 -.0005 0 |
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S2 .3355 -1/4 .3980 1.97 .0176 .0208 .0206 0 .0019 0 |
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O1 .8920 -1/4 .4794 1.48 .016 .016 .013 0 .004 0 |
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O2 .7738 -1/4 .2033 4.4 .075 .035 .023 0 .000 0 |
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O3 .5336 -1/4 .4075 4.0 .019 .037 .063 0 .014 0 |
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O4 .2625 -.0727 .4470 2.63 .021 .030 .028 -.004 .002 .001 |
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O5 .8665 .0405 .3466 2.62 .028 .026 .025 .003 -.001 -.007 |
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O6 .7031 1/4 .1915 3.7 .036 .027 .049 0 -.006 0 |
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O7 .5456 1/4 .3738 3.4 .029 .038 .037 0 .014 0 |
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Arsenoflorencite-(La) |
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Mills S J, Kartashov P M, Kampf A R, Raudsepp M |
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European Journal of Mineralogy 22 (2010) 613-621 |
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Arsenoflorencite-(La), a new mineral from the Komi Republic, Russian Federation: |
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description and crystal structure |
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Locality: Grubependity Lake cirque, Prepolar Ural, Komi Republic, Russia |
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_database_code_amcsd 0017090 |
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7.0316 7.0316 16.5151 90 90 120 R-3m |
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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) |
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La 0 0 0 .00728 .00815 .00815 .00555 .00408 0 0 |
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Al .5 0 .5 .0055 .0057 .0044 .0060 .0022 .00004 .0001 |
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As 0 0 .31492 .00478 .00472 .00472 .00488 .00236 0 0 |
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O1 0 0 .58543 .0113 .0117 .0117 .0105 .0059 0 0 |
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O2 .20482 -.20482 -.05460 .0100 .0117 .0117 .0090 .0078 .0005 .0005 |
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O3 .12273 -.12273 .13701 .0084 .0071 .0071 .0113 .0037 .0008 .0008 |
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H .194 -.194 .122 .048 |
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Fluorocronite |
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Mills S J, Kartashov P M, Gamyanin G N, Whitfield P S, Kern A, |
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Guerault H, Kampf A R, Raudsepp M |
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European Journal of Mineralogy 23 (2011) 695-700 |
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Fluorocronite, the natural analogue of beta-PbF2, |
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from the Sakha Republic, Russian Federation |
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Locality: Kupol’noe deposit, Sarychev range, Sakha Republic, Russian Federation |
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_database_code_amcsd 0018634 |
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5.9306 5.9306 5.9306 90 90 90 Fm3m |
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atom x y z |
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Pb 0 0 0 |
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F .25 .25 .25 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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