|
Wagnerite |
 |
Ren L, Grew E S, Xiong M, Ma Z |
 |
The Canadian Mineralogist 41 (2003) 393-411 |
|
Wagnerite-Ma5bc, a new polytype of Mg2(PO4)(F,OH), from granulite-facies |
|
paragneiss, Larsemann Hills, Prydz Bay, East Antartica |
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Locality: Larsemann Hills, Prydz Bay, East Antartica |
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_database_code_amcsd 0005829 |
|
9.645 31.659 11.914 90 108.26 90 Ia |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg(1) .4443 .2227 .1170 .006 .012 .005 .003 .000 .003 -.001 |
|
Mg(2) .3471 .0223 .7797 .008 .002 .009 .012 .001 .001 .000 |
|
Mg(3) .7026 .2427 .5129 .006 .009 .005 .005 -.001 .003 .000 |
|
Mg(4) .2050 .1427 .0097 .006 .004 .006 .007 .000 .001 -.001 |
|
Mg(5) .8493 .1216 .2900 .010 .006 .009 .015 .000 .004 -.001 |
|
Mg(6) .3520 .772 .2841 .009 .004 .008 .014 -.001 .002 .001 |
|
Mg(7) .0946 .0430 .3879 .010 .009 .012 .008 .004 .002 .003 |
|
Mg(8) .0876 .0573 .8867 .006 .002 .008 .009 .000 .002 -.001 |
|
Mg(9) .5892 .1564 .3903 .008 .007 .012 .004 -.003 .002 -.003 |
|
Mg(10) .9469 .1782 1.1120 .010 .014 .006 .009 .002 .003 .000 |
|
Mg(11) .6881 .0517 .0042 .005 .002 .008 .006 -.002 .003 .002 |
|
Mg(12) .3607 .2211 .8059 .006 .007 .006 .006 .000 .004 .001 |
|
Mg(13) .1895 .1531 .5075 .006 .001 .011 .006 .001 .003 .003 |
|
Mg(14) -.3042 .0476 .5060 .006 .004 .010 .006 -.003 .003 -.003 |
|
Mg(15) .4341 .0791 .5937 .013 .015 .007 .021 .001 .012 -.001 |
|
Mg(16) .8620 .1780 .8003 .007 .006 .007 .007 -.002 .001 -.001 |
|
Mg(17) .6068 .1481 .8936 .006 .007 .006 .004 .001 .001 .000 |
|
Mg(18) -.0670 .1226 .6011 .011 .012 .005 .018 .001 .008 -.001 |
|
Mg(19) .1033 .2483 .3939 .007 .008 .008 .003 .002 -.001 .000 |
|
Mg(20) .4292 .0217 .0912 .011 .013 .007 .014 .000 .007 .001 |
|
P(1) .0144 .0196 .6221 .007 .007 .008 .006 .001 .003 .000 |
|
P(2) .0136 .0803 .1237 .007 .007 .007 .008 .000 .005 -.001 |
|
P(3) .5165 .1208 .1228 .007 .007 .008 .008 -.001 .005 -.001 |
|
P(4) .5138 .1805 .6250 .006 .006 .006 .007 .000 .005 -.001 |
|
P(5) .0163 .2208 .6234 .007 .008 .006 .006 .000 .003 -.001 |
|
P(6) .7753 .0792 .7743 .007 .008 .008 .007 .000 .002 .001 |
|
P(7) .2790 .1198 .7735 .008 .008 .007 .007 -.001 .000 .001 |
|
P(8) .2757 .1790 .2748 .007 .006 .005 .008 .000 .002 .000 |
|
P(9) .7773 .0208 .2728 .008 .008 .008 .006 -.001 .001 .001 |
|
P(10) .7789 .2200 .2750 .007 .009 .006 .006 .000 .002 .001 |
|
O(1) -.0821 .0587 .5850 .013 .009 .015 .014 .002 .003 .005 |
|
O(2) .1310 .0290 .7428 .012 .011 .015 .009 .001 .004 -.003 |
|
O(3) -.0848 -.0173 .6362 .015 .017 .012 .022 -.008 .013 -.001 |
|
O(4) .0885 .0087 .5309 .017 .021 .015 .018 .007 .010 .003 |
|
O(5) -.0863 .0431 .0815 .012 .007 .015 .015 -.005 .005 -.008 |
|
O(6) .1360 .0682 .2382 .012 .013 .011 .011 .000 .002 .009 |
|
O(7) -.0753 .1171 .1498 .010 .016 .013 .003 .001 .007 -.003 |
|
O(8) .0774 .0931 .0269 .015 .018 .011 .015 -.009 .004 -.001 |
|
O(9) .4204 .1601 .0862 .011 .006 .015 .012 .007 .002 .003 |
|
O(10) .6323 .1288 .2461 .008 .011 .008 .005 -.001 .001 -.004 |
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O(11) .4110 .0843 .1322 .012 .010 .010 .017 -.001 .005 -.001 |
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O(12) .5949 .1119 .0334 .013 .017 .010 .010 .004 .002 .000 |
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O(13) .4120 .1430 .5820 .010 .005 .016 .010 -.001 .002 -.007 |
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O(14) .6402 .1683 .7366 .012 .011 .011 .016 .002 .005 .006 |
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O(15) .5738 .1936 .5252 .010 .010 .009 .011 -.006 .002 -.001 |
|
O(16) .4211 .2161 .6527 .008 .018 .008 .000 .000 .008 .000 |
|
O(17) -.0835 .2595 .5841 .012 .009 .015 .010 .005 .002 .004 |
|
O(18) .1371 .2307 .7403 .011 .012 .011 .009 .000 .004 -.003 |
|
O(19) .0859 .2107 .5278 .014 .021 .007 .014 .003 .007 -.001 |
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O(20) -.0857 .1849 .6397 .009 .013 .007 .011 .000 .008 -.001 |
|
O(21) .8752 .0400 .8180 .007 .008 .002 .013 -.001 .004 -.003 |
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O(22) .6613 .0709 .6572 .011 .007 .018 .008 .000 -.002 .000 |
|
O(23) .7001 .0895 .8673 .010 .007 .017 .007 -.002 .006 .002 |
|
O(24) .8775 .1146 .7615 .010 .008 .010 .012 -.001 .005 .001 |
|
O(25) .3677 .0836 .7432 .013 .006 .007 .026 .002 .004 .002 |
|
O(26) .2137 .1057 .8710 .009 .007 .015 .006 .005 .006 .001 |
|
O(27) .1566 .1314 .6622 .007 .002 .015 .003 .004 -.002 -.004 |
|
O(28) .3834 .1576 .8232 .008 .012 .002 .007 -.002 .000 .005 |
|
O(29) .3768 .2152 .2656 .007 .009 .007 .007 -.002 .005 -.002 |
|
O(30) .1961 .1891 .3650 .007 .003 .011 .012 -.001 .008 .002 |
|
O(31) .3766 .1402 .3190 .008 .015 .001 .009 -.002 .003 -.001 |
|
O(32) .1651 .1717 .1523 .013 .006 .016 .015 .000 .000 -.001 |
|
O(33) .6557 .0314 .1593 .011 .009 .017 .006 .002 .000 -.004 |
|
O(34) .7095 .0083 .3692 .012 .011 .019 .009 -.004 .008 -.002 |
|
O(35) .8715 -.0151 .2484 .014 .004 .011 .024 .007 .002 .004 |
|
O(36) .8796 .0590 .3198 .010 .015 .002 .013 .001 .006 .002 |
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O(37) .8814 .2580 .3208 .008 .014 .003 .006 -.002 .003 .002 |
|
O(38) .7068 .2075 .3689 .008 .011 .012 .003 .000 .006 -.002 |
|
O(39) .8691 .1837 .2516 .011 .008 .004 .023 -.001 .005 .001 |
|
O(40) .6610 .2302 .1587 .012 .008 .017 .007 -.003 -.001 -.003 |
|
F(1) .4802 .0318 .9413 .005 .000 .002 .012 .002 .002 -.003 |
|
F(2) .5663 .2847 .4205 .015 .013 .015 .018 -.004 .007 .008 |
|
F(3) .2263 .0149 .9805 .008 .006 .007 .006 .000 -.004 -.005 |
|
F(4) .0651 .1834 -.0843 .018 .009 .016 .028 -.006 .007 .013 |
|
F(5) .8081 .1702 .9562 .026 .032 .032 .012 -.011 .005 .001 |
|
F(6) .3063 .2299 -.0416 .017 .018 .028 .007 .004 .009 .002 |
|
F(7) .4909 .0706 .4366 .044 .064 .017 .028 .016 -.021 -.007 |
|
F(8) .9844 .1303 .4431 .021 .030 .012 .012 -.007 -.007 .002 |
|
F(9) .2347 .0840 .4722 .044 .063 .023 .024 -.030 -.018 .010 |
|
F(10) .7381 .1180 .4783 .051 .081 .021 .020 .036 -.028 -.015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zangboite |
|
Li G, Fang Q, Shi N, Bai W, Yang J, Xiong M, Ma Z, Rong H |
| |
The Canadian Mineralogist 47 (2009) 1265-1274 |
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Zangboite, TiFeSi2, a new mineral species from Luobusha, Tibet, China, |
|
and its crystal structure |
|
Locality: Luobusha, Tibet, China |
|
_database_code_amcsd 0006308 |
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8.6053 9.5211 7.6436 90 90 90 Pbam |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 .5 .74258 .0062 .0040 .0060 .0003 0 0 |
|
Fe2 -.08868 .24294 .74824 .0054 .00509 .0048 -.00035 -.00004 .00009 |
|
Ti1 .32719 .54777 .73815 .0038 .0044 .0065 .00007 .0001 -.00019 |
|
Ti2 .16749 .32052 .5 .0047 .0033 .0057 .0002 0 0 |
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Si1 .12725 .60427 .5 .0059 .0068 .0054 .0006 0 0 |
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Si2 .12376 .59728 0 .0094 .0085 .0059 .0010 0 0 |
|
Si3 -.03839 .11931 .5 .0056 .0050 .0057 .0008 0 0 |
|
Si4 -.33705 .18159 .84647 .0054 .0070 .0053 -.0002 .0001 -.0001 |
|
Si5 -.03895 .12131 0 .0143 .0060 .0050 .0018 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesium astrophyllite |
|
Shi N, Ma Z, Li G, Yamnova M A, Pushcharovsky D Y |
 |
Acta Crystallographica B54 (1998) 109-114 |
|
Structure refinement of monoclinic astrophyllite |
|
Locality: Khibina alkaline massif, Russia |
|
_database_code_amcsd 0009901 |
|
10.370 23.129 5.322 90 99.55 90 A2 |
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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) |
|
KNa1 0 .0047 0 .05 .0155 .0173 .0188 .0107 0 .0033 0 |
|
Na1 0 .0047 0 .95 .0155 .0173 .0188 .0107 0 .0033 0 |
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Na2 .5 .0048 0 .95 .0195 .0136 .0192 .0244 0 -.0007 0 |
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KNa2 .5 .0048 0 .05 .0195 .0136 .0192 .0244 0 -.0007 0 |
|
K1 .5 -.13404 .5 .9 .0319 .0281 .0278 .0375 0 -.0019 0 |
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NaK1 .5 -.13404 .5 .1 .0319 .0281 .0278 .0375 0 -.0019 0 |
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K2 .5 .14335 .5 .0293 .0237 .0305 .0372 0 .0152 0 |
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Fe1 0 -.07000 .5 .9 .0197 .0212 .0185 .0203 0 .0063 0 |
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MgFe1 0 -.07000 .5 .1 .0197 .0212 .0185 .0203 0 .0063 0 |
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Fe2 0 .07849 .5 .95 .0097 .0125 .0103 .0048 0 -.0029 0 |
|
MgFe2 0 .07849 .5 .05 .0097 .0125 .0103 .0048 0 -.0029 0 |
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Fe3 0 -.13960 0 .7 .0172 .0191 .0186 .0122 0 -.0026 0 |
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MgFe3 0 -.13960 0 .3 .0172 .0191 .0186 .0122 0 -.0026 0 |
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Fe4 0 .14983 0 .55 .0103 .0104 .0096 .0134 0 .0092 0 |
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MgFe4 0 .14983 0 .45 .0103 .0104 .0096 .0134 0 .0092 0 |
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Mg1 0 -.20778 .5 .6 .0122 .0142 .0097 .0135 0 .0045 0 |
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FeMg1 0 -.20778 .5 .4 .0122 .0142 .0097 .0135 0 .0045 0 |
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Mg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
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FeMg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
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Ti .28802 .00415 .43713 .0110 .0120 .0113 .0098 -.0008 .0024 -.0004 |
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Si1 .2641 -.21274 -.0782 .0116 .0120 .0149 .0076 -.0005 .0012 -.0024 |
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Si2 .2649 .22238 -.0797 .0114 .0133 .0067 .0151 .0011 .0053 .0005 |
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Si3 .2710 -.08085 -.0704 .0132 .0140 .0084 .0164 -.0020 -.0001 .0015 |
|
Si4 -.2713 .09007 .0790 .0113 .0096 .0167 .0089 .0002 .0054 -.0015 |
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O1 .1168 .0027 .4037 .0158 .0112 .0173 .0174 -.0094 -.0017 .0083 |
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O2 .1146 -.0776 -.1285 .0138 .0172 .0126 .0159 .0031 .0155 .0002 |
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O3 -.1142 .0860 .1447 .0179 .0083 .0212 .0201 .0028 -.0095 -.0028 |
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O4 .3419 -.0525 .7037 .0182 .0116 .0179 .0240 -.0011 -.0004 -.0018 |
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O5 .3366 .0625 .6981 .0216 .0180 .0340 .0165 -.0153 .0140 -.0050 |
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O6 .3293 -.0542 .1987 .0194 .0145 .0270 .0213 -.0013 .0166 .011 |
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O7 .3296 .0605 .1946 .0314 .0281 .0377 .0226 .0195 -.0125 .0017 |
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O8 .3200 -.1477 -.0420 .0177 .0083 .0177 .0271 -.0107 .0032 -.0024 |
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O9 -.3272 .1587 .0671 .0191 .0225 .0057 .0280 .0082 .0010 .0027 |
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O10 .1041 -.2147 -.1266 .0177 .0246 .0175 .0089 .0004 -.0031 -.0014 |
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O11 -.1097 .2207 .1314 .0093 .0016 .0076 .0215 -.0012 .0071 .0001 |
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O12 .3235 -.2465 .6924 .0162 .0122 .0231 .0148 .0016 .0064 .0000 |
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O13 .3205 -.2496 .1801 .0168 .0125 .0218 .0143 .0105 -.0026 .0018 |
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O14 .1058 -.1418 .3643 .0100 .0118 .0043 .0134 -.0103 .0006 -.0021 |
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O15 -.1010 .1535 .6323 .0225 .0131 .0392 .0162 .0073 .0054 .0032 |
|
H1 -.1536 .150 .63 .067 |
|
H2 .169 -.116 .367 .032 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesioastrophyllite |
|
Shi N, Ma Z, Li G, Yamnova M A, Pushcharovsky D Y |
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Acta Crystallographica B54 (1998) 109-114 |
|
Structure refinement of monoclinic astrophyllite |
|
Locality: Khibina alkaline massif, Russia |
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_database_code_amcsd 0009902 |
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10.370 23.129 5.322 90 99.55 90 A2 |
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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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KNa1 0 .0047 0 .05 .0155 .0173 .0188 .0107 0 .0033 0 |
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Na1 0 .0047 0 .95 .0155 .0173 .0188 .0107 0 .0033 0 |
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Na2 .5 .0048 0 .95 .0195 .0136 .0192 .0244 0 -.0007 0 |
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KNa2 .5 .0048 0 .05 .0195 .0136 .0192 .0244 0 -.0007 0 |
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K1 .5 -.13404 .5 .9 .0319 .0281 .0278 .0375 0 -.0019 0 |
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NaK1 .5 -.13404 .5 .1 .0319 .0281 .0278 .0375 0 -.0019 0 |
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K2 .5 .14335 .5 .0293 .0237 .0305 .0372 0 .0152 0 |
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Fe1 0 -.07000 .5 .9 .0197 .0212 .0185 .0203 0 .0063 0 |
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MgFe1 0 -.07000 .5 .1 .0197 .0212 .0185 .0203 0 .0063 0 |
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Fe2 0 .07849 .5 .95 .0097 .0125 .0103 .0048 0 -.0029 0 |
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MgFe2 0 .07849 .5 .05 .0097 .0125 .0103 .0048 0 -.0029 0 |
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Fe3 0 -.13960 0 .7 .0172 .0191 .0186 .0122 0 -.0026 0 |
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MgFe3 0 -.13960 0 .3 .0172 .0191 .0186 .0122 0 -.0026 0 |
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Fe4 0 .14983 0 .55 .0103 .0104 .0096 .0134 0 .0092 0 |
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MgFe4 0 .14983 0 .45 .0103 .0104 .0096 .0134 0 .0092 0 |
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Mg1 0 -.20778 .5 .6 .0122 .0142 .0097 .0135 0 .0045 0 |
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FeMg1 0 -.20778 .5 .4 .0122 .0142 .0097 .0135 0 .0045 0 |
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Mg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
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FeMg2 0 .21977 .5 .5 .0071 .0101 .008 .0027 0 -.0005 0 |
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Ti .28802 .00415 .43713 .0110 .0120 .0113 .0098 -.0008 .0024 -.0004 |
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Si1 .2641 -.21274 -.0782 .0116 .0120 .0149 .0076 -.0005 .0012 -.0024 |
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Si2 .2649 .22238 -.0797 .0114 .0133 .0067 .0151 .0011 .0053 .0005 |
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Si3 .2710 -.08085 -.0704 .0132 .0140 .0084 .0164 -.0020 -.0001 .0015 |
|
Si4 -.2713 .09007 .0790 .0113 .0096 .0167 .0089 .0002 .0054 -.0015 |
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O1 .1168 .0027 .4037 .0158 .0112 .0173 .0174 -.0094 -.0017 .0083 |
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O2 .1146 -.0776 -.1285 .0138 .0172 .0126 .0159 .0031 .0155 .0002 |
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O3 -.1142 .0860 .1447 .0179 .0083 .0212 .0201 .0028 -.0095 -.0028 |
|
O4 .3419 -.0525 .7037 .0182 .0116 .0179 .0240 -.0011 -.0004 -.0018 |
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O5 .3366 .0625 .6981 .0216 .0180 .0340 .0165 -.0153 .0140 -.0050 |
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O6 .3293 -.0542 .1987 .0194 .0145 .0270 .0213 -.0013 .0166 .011 |
|
O7 .3296 .0605 .1946 .0314 .0281 .0377 .0226 .0195 -.0125 .0017 |
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O8 .3200 -.1477 -.0420 .0177 .0083 .0177 .0271 -.0107 .0032 -.0024 |
|
O9 -.3272 .1587 .0671 .0191 .0225 .0057 .0280 .0082 .0010 .0027 |
|
O10 .1041 -.2147 -.1266 .0177 .0246 .0175 .0089 .0004 -.0031 -.0014 |
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O11 -.1097 .2207 .1314 .0093 .0016 .0076 .0215 -.0012 .0071 .0001 |
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O12 .3235 -.2465 .6924 .0162 .0122 .0231 .0148 .0016 .0064 .0000 |
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O13 .3205 -.2496 .1801 .0168 .0125 .0218 .0143 .0105 -.0026 .0018 |
|
O14 .1058 -.1418 .3643 .0100 .0118 .0043 .0134 -.0103 .0006 -.0021 |
|
O15 -.1010 .1535 .6323 .0225 .0131 .0392 .0162 .0073 .0054 .0032 |
|
H1 -.1536 .150 .63 .067 |
|
H2 .169 -.116 .367 .032 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ankangite |
|
Shi N, Ma Z, Liu W |
| |
Acta Petrologica et Mineralogica 10 (1991) 233-245 |
|
Crystal structure determination of ankangite with one dimensional incommensurate modulation |
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Locality: Shiti barite deposit, Ankang County, Shaanxi, China |
|
_database_code_amcsd 0018318 |
|
10.139 10.139 2.961 90 90 90 I4/m |
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atom x y z occ Biso |
|
Ba 0 0 .3790 .295 2.60 |
|
Ti .1652 .3494 0 .65 .55 |
|
V .1652 .3494 0 .35 .55 |
|
O1 .2026 .1556 0 .43 |
|
O2 .1673 .5390 0 .57 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ankangite |
|
Shi N, Ma Z, Liu W |
| |
Acta Petrologica et Mineralogica 10 (1991) 233-245 |
|
Crystal structure determination of ankangite with one dimensional incommensurate modulation |
|
Locality: Shiti barite deposit, Ankang County, Shaanxi, China |
|
_database_code_amcsd 0018319 |
|
10.126 10.126 41.41 90 90 90 P4/m |
|
atom x y z occ Uiso |
|
Ba1 0 0 0 .005 |
|
Ba3 0 0 .143 .069 |
|
Ba23 0 0 .273 .096 |
|
Ba27 0 0 .416 .052 |
|
Ba8 0 0 .5 .050 |
|
Ba31 .5 .5 .048 .127 |
|
Ba10 .5 .5 .107 .091 |
|
Ba35 .5 .5 .191 .078 |
|
Ba38 .5 .5 .309 .058 |
|
Ba15 .5 .5 .464 .137 |
|
Ti1 .340 .854 0 .65 .022 |
|
V1 .340 .854 0 .35 .022 |
|
Ti2 .334 .853 .0677 .65 .012 |
|
V2 .334 .853 .0677 .35 .012 |
|
Ti3 .337 .845 .1392 .65 .002 |
|
V3 .337 .845 .1392 .35 .002 |
|
Ti4 .320 .856 .2114 .65 .016 |
|
V4 .320 .856 .2114 .35 .016 |
|
Ti5 .331 .850 .2835 .65 .026 |
|
V5 .331 .850 .2835 .35 .026 |
|
Ti6 .345 .836 .3535 .65 .004 |
|
V6 .345 .836 .3535 .35 .004 |
|
Ti7 .334 .844 .4265 .65 .204 |
|
V7 .334 .844 .4265 .35 .204 |
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Ti8 .335 .853 .5 .65 .008 |
|
V8 .335 .853 .5 .35 .008 |
|
Ti9 .165 .653 .0356 .65 .010 |
|
V9 .165 .653 .0356 .35 .010 |
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Ti10 .164 .650 .1019 .65 .056 |
|
V10 .164 .650 .1019 .35 .056 |
|
Ti11 .163 .649 .1737 .65 .012 |
|
V11 .163 .649 .1737 .35 .012 |
|
Ti12 .168 .652 .2463 .65 .004 |
|
V12 .168 .652 .2463 .35 .004 |
|
Ti13 .167 .658 .3123 .65 .356 |
|
V13 .167 .658 .3123 .35 .356 |
|
Ti14 .166 .647 .3870 .65 .015 |
|
V14 .166 .647 .3870 .35 .015 |
|
Ti15 .163 .649 .4614 .65 .014 |
|
V15 .163 .649 .4614 .35 .014 |
|
O1 .334 .030 0 .022 |
|
O2 .331 .038 .070 .010 |
|
O3 .339 .032 .138 .075 |
|
O4 .332 .038 .213 .073 |
|
O5 .332 .038 .282 .093 |
|
O6 .366 .040 .3536 .012 |
|
O7 .338 .035 .4234 .079 |
|
O8 .331 .039 .5 .050 |
|
O9 .346 .314 0 .074 |
|
O10 .343 .301 .070 .009 |
|
O11 .342 .298 .139 .117 |
|
O12 .342 .298 .214 .045 |
|
O13 .340 .304 .281 .161 |
|
O14 .350 .296 .356 .017 |
|
O15 .345 .300 .429 .031 |
|
O16 .347 .300 .5 .062 |
|
O17 .160 .201 .035 .016 |
|
O18 .161 .204 .104 .036 |
|
O19 .162 .203 .175 .081 |
|
O20 .158 .201 .249 .051 |
|
O21 .150 .201 .319 .299 |
|
O22 .155 .201 .389 .050 |
|
O23 .152 .202 .462 .009 |
|
O24 .167 .468 .035 .005 |
|
O25 .165 .461 .100 .016 |
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O26 .168 .456 .177 .008 |
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O27 .161 .465 .243 .162 |
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O28 .170 .467 .312 .295 |
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O29 .169 .457 .383 .008 |
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O30 .170 .459 .459 .155 |
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Suolunite |
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Ma Z, Shi N, Mou G, Liao L |
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Chinese Science Bulletin 44 (1999) 2125-2130 |
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Crystal structure refinement of suolunite and its significance to the cement |
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techniques |
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Locality: Suolun, China |
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_database_code_amcsd 0012227 |
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19.776 5.9900 11.119 90 90 90 Fd2d |
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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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Ca .0761 0 .1621 .0008 .0008 .0009 .0007 .0001 .0001 .0000 |
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Si .1840 .5022 .1609 .0006 .0006 .0006 .0006 .0000 .0001 .0001 |
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O1 .25 .5033 .25 .0013 .0014 .0010 .0016 0 -.0010 0 |
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O2 .1622 .7505 .1285 .0009 .0010 .0007 .0010 .0003 .0000 .0003 |
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O3 .1266 .3480 .2186 .0009 .0010 .0008 .0009 -.0002 .0001 .0000 |
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O4 .2142 .3873 .0359 .0010 .0009 .0013 .0009 -.0001 .0001 -.0002 |
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O5 .25 .0283 .25 .0017 .0018 .0008 .0025 0 -.0007 0 |
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H1 .2730 -.0574 .2920 .0050 |
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H2 .1923 .2603 -.0078 .0050 |
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Bussenite |
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Zhou H, Rastsvetaeva R K, Khomyakov A P, Ma Z, Shi N |
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Crystallography Reports 47 (2002) 43-46 |
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Crystal structure of new micalike titanosilicate - bussenite, |
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Na2Ba2Fe2+[TiSi2O7][CO3]O(OH)(H2O)F |
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Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0012376 |
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5.399 7.016 16.254 102.44 93.18 90.10 P-1 |
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atom x y z occ Biso |
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Na1 .733 .243 .9527 .5 3.1 |
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Na2 .251 .289 .0461 .5 2.4 |
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K1 .2234 .4246 .8493 .2 1.80 |
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Ba1 .2234 .4246 .8493 .8 1.80 |
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Ba2 .2933 .1222 .2449 .47 1.56 |
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NaM1 .0073 .2513 .5030 .5 .65 |
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MnM1 .0073 .2513 .5030 .275 .65 |
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FeM1 .0073 .2513 .5030 .225 .65 |
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FeM2 .5 0 .5 .5 .75 |
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NaM2 .5 0 .5 .4 .75 |
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MnM2 .5 0 .5 .1 .75 |
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NaM3 .5 .5 .5 .5 .53 |
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FeM3 .5 .5 .5 .4 .53 |
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MnM3 .5 .5 .5 .1 .53 |
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SrM4 .2789 .0938 .1870 .32 2.50 |
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CaM4 .2789 .0938 .1870 .21 2.50 |
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Ti .6951 .3449 .6897 .95 .87 |
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Nb .6951 .3449 .6897 .05 .87 |
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Si1 .1911 .0583 .6684 .76 |
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Si2 .8083 .3887 .3315 .81 |
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C .758 .052 .106 4.6 |
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O1 .957 .165 .7119 1.0 |
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O2 .045 .451 .2870 1.4 |
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O3 .555 .450 .2863 1.4 |
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O4 .449 .162 .7134 1.7 |
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O5 .800 .150 .3044 2.0 |
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O6 .180 .032 .5690 2.2 |
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O7 .822 .460 .4302 2.5 |
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O8 .677 .292 .5809 1.7 |
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O9 .154 .097 .902 9.6 |
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O10 .889 .213 .106 7.9 |
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O11 .555 .138 .095 9.4 |
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OH .338 .215 .4314 1.8 |
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Wat .719 .417 .8360 2.7 |
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F1 .5 .5 0 3.7 |
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F2 0 .5 0 5.7 |
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Isomertieite |
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Shi N, Ma Z, Zhang N, Ding X |
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Kexue Tongbao 23 (1978) 499-501 |
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Crystal structure of isomertieite (fengluanite) |
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_database_code_amcsd 0014175 |
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12.28 12.28 12.28 90 90 90 Fd3m |
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atom x y z |
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Pd1 .2748 0 0 |
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Pd2 .3415 .3415 .3415 |
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As .625 .625 .625 |
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Sb .125 .125 .125 |
|
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Clinochalcomenite |
|
Lo K, Chen Z, Ma Z |
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Kexue Tongbao 29 (1984) 352-355 |
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The crystal structure of clinochalcomenite |
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Note: reported coordinates do not produce the reported bond lengths |
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Locality: Gansu Province, China |
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_database_code_amcsd 0018480 |
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8.177 8.611 6.290 90 97.27 90 P2_1/n |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .4775 .3621 .3565 .0079 .0014 .0072 -.0013 .0004 -.0136 |
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Se .1518 .8542 .6012 .0048 .0030 .0094 .0011 -.0041 -.0092 |
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O1 .2145 .6815 .6740 .0106 .0148 .0092 .0081 -.0150 -.0085 |
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O2 .4682 .4153 .6695 .0100 .0036 .0054 .0061 -.0132 -.0317 |
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O3 .0024 .8154 .4533 .0129 .0033 .0233 .0114 -.0046 -.0394 |
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Wat4 .1897 .4415 .3749 .0052 .0111 -.0043 -.0113 -.0178 .0183 |
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Wat5 .4304 .1403 .4217 .0124 .0059 .0288 .0064 .0240 .0294 |
|
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Dingdaohengite-(Ce) |
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Li G, Yang G, Ma Z, Shi N, Xiong M, Sheng G, Fan H |
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Kuangwu Xuebao 25 (2005) 313-320 |
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The crystal structure of a new mineral dingdaohengite-(Ce) |
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Locality: Bayun Obo, Inner Mongolia, China |
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_database_code_amcsd 0014198 |
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13.4656 5.7356 11.0977 90 100.636 90 P2_1/a |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .43027 .51328 .76028 .525 .014 .028 .015 .000 .003 .001 |
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LaA1 .43027 .51328 .76028 .365 .014 .028 .015 .000 .003 .001 |
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CaA1 .43027 .51328 .76028 .110 .014 .028 .015 .000 .003 .001 |
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CeA2 .14386 .49202 .76557 .525 .018 .016 .017 .000 .003 -.001 |
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LaA2 .14386 .49202 .76557 .365 .018 .016 .017 .000 .003 -.001 |
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CaA2 .14386 .49202 .76557 .110 .018 .016 .017 .000 .003 -.001 |
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FeB 0 .5 .5 .017 .013 .014 0 0 0 |
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TiC1 .25198 .25110 .50003 .44 .015 .012 .013 .000 .002 .000 |
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Fe2+C1 .25198 .25110 .50003 .23 .015 .012 .013 .000 .002 .000 |
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MgC1 .25198 .25110 .50003 .20 .015 .012 .013 .000 .002 .000 |
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Fe3+C1 .25198 .25110 .50003 .13 .015 .012 .013 .000 .002 .000 |
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TiC2A .5 .5 .5 .99 .015 .014 .014 0 .004 0 |
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NbC2A .5 .5 .5 .01 .015 .014 .014 0 .004 0 |
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TiC2B .5 0 0 .97 .025 .015 .012 0 .003 0 |
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NbC2B .5 0 0 .03 .025 .015 .012 0 .003 0 |
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Si1 .29919 .0006 .76859 .016 .010 .014 .001 .003 .001 |
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Si2 .35776 .4998 .04651 .017 .014 .012 .000 .003 .000 |
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O1 .5219 .2567 .6267 .016 .021 .018 .003 .005 .003 |
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O2 .5228 .7466 .6265 .016 .021 .020 .004 .006 .002 |
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O3 .4212 .2644 .0943 .027 .023 .024 .007 .002 .003 |
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O4 .4307 .7208 .0934 .030 .027 .021 .011 .001 .003 |
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O5 .2753 .2357 .6850 .027 .012 .014 .001 .004 .000 |
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O6 .2686 .7674 .6857 .026 .013 .015 .000 .003 .001 |
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O7 .3543 .5036 .5226 .017 .014 .017 .000 .005 .001 |
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O8 .3137 .5035 .9033 .025 .017 .016 .000 .003 .001 |
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O9 .1521 .4985 .5108 .017 .013 .020 .002 .004 .000 |
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O10 .2296 .0184 .8713 .039 .051 .026 -.005 .019 .003 |
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O11 .4152 -.0178 .8280 .019 .051 .023 .000 .001 .001 |
|
|
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|
| |
|
Dingdaohengite-(Ce) |
| |
Li G, Yang G, Ma Z, Shi N, Xiong M, Sheng G, Fan H |
| |
Kuangwu Xuebao 25 (2005) 313-320 |
|
The crystal structure of a new mineral dingdaohengite-(Ce) |
|
Locality: Bayun Obo, Inner Mongolia, China |
|
_database_code_amcsd 0014199 |
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13.4656 5.7356 11.0977 90 100.636 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .43028 .5 .76027 .525 .014 .036 .015 0 .003 0 |
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LaA1 .43028 .5 .76027 .365 .014 .036 .015 0 .003 0 |
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CaA1 .43028 .5 .76027 .110 .014 .036 .015 0 .003 0 |
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CeA2 .14385 .5 .76556 .525 .018 .018 .018 0 .003 0 |
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LaA2 .14385 .5 .76556 .365 .018 .018 .018 0 .003 0 |
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CaA2 .14385 .5 .76556 .110 .018 .018 .018 0 .003 0 |
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FeB 0 .5 .5 .017 .014 .014 0 .000 0 |
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TiC1 .25 .25 .5 .44 .016 .013 .013 .000 .002 .000 |
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Fe2+C1 .25 .25 .5 .23 .016 .013 .013 .000 .002 .000 |
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MgC1 .25 .25 .5 .20 .016 .013 .013 .000 .002 .000 |
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Fe3+C1 .25 .25 .5 .13 .016 .013 .013 .000 .002 .000 |
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TiC2A .5 .5 .5 .99 .016 .014 .014 0 .004 0 |
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NbC2A .5 .5 .5 .01 .016 .014 .014 0 .004 0 |
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TiC2B .5 0 0 .97 .026 .015 .012 0 .004 0 |
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NbC2B .5 0 0 .03 .026 .015 .012 0 .004 0 |
|
Si1 .29921 0 .76857 .017 .011 .014 0 .003 0 |
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Si2 .35775 .5 .04647 .018 .015 .013 0 .003 0 |
|
O1 .5224 .7449 .6266 .017 .021 .019 .004 .005 .003 |
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O2 .4259 .2715 .0939 .033 .028 .023 .012 0 .003 |
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O3 .2720 .2341 .6853 .030 .014 .015 .001 .004 .001 |
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O4 .3543 .5 .5226 .017 .016 .018 0 .005 0 |
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O5 .3138 .5 .9033 .026 .018 .016 0 .003 0 |
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O6 .1521 .5 .5108 .018 .014 .020 0 .004 0 |
|
O7 .2297 0 .8713 .040 .065 .027 0 .019 0 |
|
O8 .4152 0 .8281 .020 .062 .024 0 .001 0 |
|
|
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|
| |
|
Balipholite |
|
Peng Z, Ma Z, Han S |
| |
Scientia Sinica B30 (1987) 779-784 |
|
The refinement of crystal structure of balipholite |
|
Locality: Hunan Province, China |
|
_database_code_amcsd 0015443 |
|
13.587 20.164 5.144 90 90 90 *Ccca |
|
0 -.25 -.25 |
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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) |
|
Ba 0 .75 .25 .0014 .0013 .0071 0 0 0 |
|
Mg 0 .5386 .25 .0003 .0002 -.0014 0 .0000 0 |
|
Li 0 .1154 .25 .5 .0016 .0007 .0072 0 .0012 0 |
|
Al 0 .1154 .25 .5 .0016 .0007 .0072 0 .0012 0 |
|
Al .1925 .25 .25 .0009 .0003 .0011 0 0 .0001 |
|
Si .1924 .6204 .0838 .0005 .0002 .0003 .0000 .0001 .0000 |
|
O2 .2035 .6998 .0722 .0011 .0002 .0038 .0000 -.0001 .0001 |
|
O3 .2536 .9111 .1736 .0011 .0004 .0007 .0000 .0008 -.0001 |
|
O4 .0785 .6027 .0975 .0006 .0005 .0018 .0000 .0003 .0000 |
|
O5 .0695 .4680 .0679 .0006 .0004 .0026 .0001 -.0004 -.0001 |
|
H .122 .468 .094 -.1171 |
|
F .0972 .3075 .1329 .0016 .0007 .0031 -.0001 -.0009 -.0002 |
|
|
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|
| |
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