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Nezilovite |
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Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S |
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The Canadian Mineralogist 34 (1996) 1287-1297 |
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Nezilovite, a new member of the magnetoplumbite group, and the crystal |
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chemistry of mognetoplumbite and hibonite |
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_database_code_amcsd 0005518 |
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5.849 5.849 22.809 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Pb 2/3 1/3 .25 7.5 |
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AlM1 0 0 0 .6 |
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FeM2 0 0 .2590 .18 .2 |
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TiM2 0 0 .2590 .22 .2 |
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MnM2 0 0 .2590 .10 .2 |
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ZnM3 1/3 2/3 .0272 .95 .5 |
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MnM4 2/3 1/3 -.1893 .29 .5 |
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FeM4 2/3 1/3 -.1893 .71 .5 |
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MnM5 .1677 .3354 -.1063 .29 .2 |
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FeM5 .1677 .3354 -.1063 .71 .2 |
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O1 0 0 .1512 2.1 |
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O2 1/3 2/3 -.0598 .6 |
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O3 .361 .1805 .75 3.1 |
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O4 .145 .290 .0523 .8 |
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O5 .5024 -.5024 .3511 1.1 |
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Magnetoplumbite |
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Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S |
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The Canadian Mineralogist 34 (1996) 1287-1297 |
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Nezilovite, a new member of the magnetoplumbite group, and the crystal |
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chemistry of mognetoplumbite and hibonite |
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_database_code_amcsd 0005519 |
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5.902 5.902 23.185 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Pb 2/3 1/3 .25 .98 7.4 |
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Ba 2/3 1/3 .25 .02 7.4 |
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FeM1 0 0 0 .75 .3 |
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MgM1 0 0 0 .25 .3 |
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FeM2 0 0 .2587 .5 .6 |
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MnM3 1/3 2/3 .0262 .45 .7 |
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FeM3 1/3 2/3 .0262 .55 .7 |
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SbM4 2/3 1/3 -.1895 .29 .6 |
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FeM4 2/3 1/3 -.1895 .71 .6 |
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MnM5 .16675 .3335 -.1076 .15 .6 |
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FeM5 .16675 .3335 -.1076 .85 .6 |
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O1 0 0 .1523 1.6 |
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O2 1/3 2/3 -.0585 .8 |
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O3 .375 .1875 .75 .9 |
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O4 .1505 .301 .0532 .7 |
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O5 .503 -.503 .3490 .9 |
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Hibonite |
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Bermanec V, Holtstam D, Sturman D, Criddle A J, Back M E, Scavnicar S |
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The Canadian Mineralogist 34 (1996) 1287-1297 |
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Nezilovite, a new member of the magnetoplumbite group, and the crystal |
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chemistry of mognetoplumbite and hibonite |
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_database_code_amcsd 0005520 |
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5.613 5.613 22.285 90 90 120 P6_3/mmc |
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atom x y z occ Biso |
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Ca 2/3 1/3 .25 .85 2.8 |
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Ce 2/3 1/3 .25 .06 2.8 |
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La 2/3 1/3 .25 .03 2.8 |
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Nd 2/3 1/3 .25 .01 2.8 |
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Mg 2/3 1/3 .25 .05 2.8 |
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AlM1 0 0 0 .5 |
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AlM2 0 0 .2379 .5 1.1 |
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FeM3 1/3 2/3 .0271 .15 .7 |
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MgM3 1/3 2/3 .0271 .24 .7 |
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AlM3 1/3 2/3 .0271 .61 .7 |
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SiM4 2/3 1/3 -.1889 .03 .8 |
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TiM4 2/3 1/3 -.1889 .25 .8 |
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AlM4 2/3 1/3 -.1889 .72 .8 |
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AlM5 .1679 .3358 -.1071 .4 |
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O1 0 0 .1481 .7 |
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O2 1/3 2/3 -.0565 .8 |
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O3 .362 .181 .75 2.3 |
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O4 .1531 .3063 .0520 1.0 |
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O5 .5043 -.5043 .3508 .9 |
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Prehnite |
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Balic-Zunic T, Scavnicar S, Molin G |
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European Journal of Mineralogy 2 (1990) 731-734 |
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Crystal structure of prehnite from Komiza |
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Locality: Komiza |
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_database_code_amcsd 0006388 |
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4.646 5.491 18.52 90 90 90 P2cm |
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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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Ca 0 .7601 .1507 1.9 .0290 .0132 .0291 .0004 0 .0010 |
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Si1 .799 .5 0 1.6 .0250 .0090 .0260 0 0 .0010 |
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Si2 .490 .2509 .1302 1.6 .0225 .0109 .0281 .0005 .0030 0 |
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Al1 .179 0 0 1.7 .0230 .0100 .0310 0 0 .0010 |
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Al2 -.002 .2628 .25 .83 1.8 .0230 .0120 .0320 -.0030 0 0 |
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Fe2 -.002 .2628 .25 .17 1.8 .0230 .0120 .0320 -.0030 0 0 |
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O1 -.018 .739 .0196 2.1 .0310 .0150 .0320 0 -.0040 0 |
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O2 .611 .459 .0730 2.6 .0330 .0180 .0470 .0020 -.0010 0 |
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O3 .350 .032 .0825 1.4 .0160 .0130 .0230 -.0010 -.0050 -.0030 |
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O4 .245 .392 .1758 1.3 .0170 .0160 .0160 .0030 .0060 .0010 |
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O5 .745 .130 .1766 2.7 .0400 .0090 .0550 0 .0070 -.0040 |
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OH1 .206 .960 .25 2.0 .0350 .0180 .0220 -.0040 0 0 |
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OH2 .790 .565 .25 1.7 .0220 .0020 .0410 .0030 0 0 |
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Stibnite |
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Scavnicar S |
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Zeitschrift fur Kristallographie 114 (1960) 85-97 |
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The crystal structure of stibnite. A redetermination of atomic positions |
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Locality: synthetic |
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_database_code_amcsd 0010587 |
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11.25 11.33 3.83 90 90 90 Pbnm |
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atom x y z Biso |
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Sb1 .326 .030 .25 1.47 |
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Sb2 .036 .149 .75 1.47 |
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S1 .879 .054 .25 1.47 |
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S2 .440 .130 .75 1.47 |
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S3 .190 .213 .25 1.47 |
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Zn(NO3)2(H2O)2 |
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Ribar B, Nowacki W, Sljukic M, Scavnicar S, Gabela F |
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Zeitschrift fur Kristallographie 129 (1969) 305-317 |
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Die kristallstruktur von Zn(NO3)2*2H2O |
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_database_code_amcsd 0010691 |
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5.754 5.978 8.557 90 91.03 90 P2_1/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Zn .5 0 .5 2.67 .0204 .0182 .0093 -.0004 .0007 -.0001 |
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N .2557 .3413 .3032 2.37 .0239 .0116 .0078 .0041 .0007 .0008 |
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O1 .0721 .4165 .2470 3.24 .0233 .0208 .0125 .0010 .0004 .0036 |
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O2 .4414 .3668 .2386 2.82 .0171 .0252 .0090 .0046 .0056 .0037 |
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O3 .2432 .2250 .4213 2.46 .0199 .0234 .0048 -.0014 .0018 .0022 |
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Ow4 .7457 .2428 .4884 2.49 .0240 .0196 .0051 -.0029 -.0009 -.0009 |
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H1 .675 .295 .395 2.5 |
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H2 .90 .24 .51 2.5 |
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Rebulite |
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Balic-Zunic T, Scavnicar S, Engel P |
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Zeitschrift fur Kristallographie 160 (1982) 109-125 |
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The crystal structure of rebulite, Tl5Sb5As8S22 |
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Locality: Allchar, Macedonia, Yugoslavia |
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_database_code_amcsd 0010849 |
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17.441 7.363 32.052 90 105.03 90 P2_1/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Tl1 .30905 .2987 .45738 .00275 .0115 .00081 -.0001 .00032 -.00015 |
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Tl2 .69251 .1470 .28730 .00287 .0155 .00083 -.0004 .00018 -.00045 |
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Tl3 .12171 .4011 .06272 .00274 .0143 .00064 .0004 .00025 .0001 |
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Tl4 .89889 .3259 .18642 .00219 .0074 .00064 -.00015 .0001 .00005 |
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Tl5 .47617 .3655 .11055 .00271 .0106 .00083 -.0003 .00068 .0000 |
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Sb1 .6896 .3257 .43188 .00126 .0087 .00050 .00065 .00035 .00045 |
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Sb2 .3068 .0979 .31611 .00117 .0062 .00038 -.00005 .00018 .0002 |
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Sb3 .0852 .1893 .42811 .00133 .0095 .00051 .0008 .00012 .0001 |
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Sb4 .9206 .1884 .32652 .00163 .0071 .00050 -.0001 .00021 -.00035 |
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Sb5 .8993 .4529 .4251 .45 .0007 .0086 .00074 .00055 .0001 .0002 |
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As5' .9138 .4467 .4212 .55 .0005 .0081 .00059 .0006 .00005 .0004 |
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As1 .2960 .0691 .1679 .0011 .0081 .00034 -.0001 .0001 -.0003 |
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As2 .7020 .3425 .0860 .0012 .0054 .00034 -.00025 .00005 -.00015 |
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As3 .8799 .1950 .0469 .0012 .0079 .00034 .0002 .0000 -.00015 |
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As4 .1234 .1976 .2118 .0011 .0075 .00039 .0003 .0002 -.0001 |
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As5 .5362 .2525 .4893 .0010 .0087 .00033 -.00045 .0001 .00015 |
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As6 .4727 .1767 .2609 .0008 .0071 .00029 -.0002 .00015 .00005 |
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As7 .4826 .4159 .3614 .0013 .0070 .00040 -.0003 .0000 -.00005 |
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As8 .1162 .3688 .3161 .0012 .0049 .00044 .00045 .00015 -.00005 |
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S1 -.0065 .4698 .1170 .0016 .005 .00058 -.0006 -.00005 .0003 |
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S2 .1824 -.0182 .0079 .0013 .010 .00057 .00015 .0002 -.0004 |
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S3 .8165 .240 .3842 .0018 .010 .00062 .0004 .00015 -.0005 |
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S4 .8314 .473 .0234 .0016 .011 .00055 -.0007 .00005 .00075 |
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S5 .1949 .285 .1647 .0020 .012 .00045 .00105 .00045 .00065 |
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S6 .8166 .4430 .2611 .0016 .006 .00063 -.0005 .0002 -.0004 |
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S7 .8047 .134 .0942 .0018 .008 .00053 .0001 .0002 .00035 |
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S8 .1829 .4101 .2634 .0018 .010 .00034 -.00015 .0006 .0002 |
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S9 .1935 .1641 .3596 .0014 .008 .00063 .0004 .0001 .0002 |
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S10 .9937 .248 .4715 .0012 .011 .00055 .00005 .00025 -.0003 |
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S11 .9832 .4522 .3666 .0018 .006 .00044 -.0003 .0001 -.00005 |
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S12 .4131 -.0090 .0424 .0013 .008 .00038 -.00015 .00035 -.0004 |
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S13 .5884 .2443 .3559 .0013 .008 .00041 .0000 .00025 -.0002 |
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S14 .3863 .535 .0213 .0036 .007 .00068 -.0017 .00045 -.00035 |
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S15 .4056 .257 .1922 .0014 .011 .00055 -.00215 -.0001 .0006 |
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S16 .5910 .4379 .2219 .0017 .005 .00058 -.0002 .00015 .00005 |
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S17 .5932 .1617 .0608 .0012 .008 .00059 -.0008 .0001 -.00005 |
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S18 .4134 .4084 .2891 .0017 .008 .00050 .00035 .00015 .00045 |
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S19 .4083 .199 .3854 .0010 .011 .00049 -.00045 .0000 -.0005 |
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S20 .0154 .1931 .2784 .0015 .008 .00042 -.00005 .00015 -.0001 |
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S21 .2931 .1401 .0974 .0015 .007 .00050 .0003 .0002 .00025 |
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S22 .6935 .2836 .1550 .0018 .007 .00056 -.0006 .0003 .00005 |
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|
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Simonite |
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Engel P, Nowacki W, Balic-Zunic T, Scavnicar S |
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Zeitschrift fur Kristallographie 161 (1982) 159-166 |
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The crystal structure of simonite, TlHgAs3S6 |
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_database_code_amcsd 0010851 |
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5.948 11.404 15.979 90 90.15 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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Tl .3855 .38393 .31816 .0196 .00493 .00321 -.00120 .00125 .000295 |
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Hg .9365 .39814 .09751 .0191 .00510 .00131 .00085 -.00040 -.000395 |
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As1 .0192 .1308 .4320 .0100 .0027 .00123 -.00030 -.00055 -.00010 |
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As2 .3989 .1584 .0825 .0084 .0032 .00130 -.00065 .0001 .00025 |
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As3 .7025 .1301 .2515 .0096 .0030 .00116 .00100 .00005 .00005 |
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S1 .3778 .3419 .1202 .0111 .0040 .0018 .00145 -.00035 -.00030 |
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S2 .7801 .1313 .1131 .0124 .0035 .0015 .00095 .00015 .00030 |
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S3 .3931 .1419 .4502 .0108 .0041 .0013 .00025 -.00040 .00020 |
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S4 .9279 .3272 .4420 .0132 .0034 .0015 .00090 -.00030 .00020 |
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S5 .0716 .1394 .2882 .0108 .0035 .0013 -.00080 -.00030 -.00025 |
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S6 .8772 .4393 .2430 .0112 .0029 .0014 .00115 .00020 .00000 |
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|
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