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Davyne |
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Hassan I, Grundy H D |
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The Canadian Mineralogist 28 (1990) 341-349 |
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Structure of davyne and implications for stacking faults |
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Sample BM1907,210 |
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_database_code_amcsd 0005240 |
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12.854 12.854 5.357 90 90 120 P6_3 |
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atom x y z occ Uiso |
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O1 .212 .424 .724 .019 |
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O2 .112 .554 .746 .025 |
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O3 .009 .340 .010 .007 |
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O4 .328 .346 .025 .039 |
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AlT1 .338 .413 .751 .63 .010 |
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SiT1 .338 .413 .751 .37 .010 |
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SiT2 .077 .414 .75 .60 .011 |
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AlT2 .077 .414 .75 .40 .011 |
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Cl 2/3 1/3 .711 .091 |
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Ca 2/3 1/3 .218 .009 |
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Na .153 .308 .258 .55 .038 |
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K .118 .228 .264 .28 .049 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Davyne |
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Hassan I, Grundy H D |
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The Canadian Mineralogist 28 (1990) 341-349 |
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Structure of davyne and implications for stacking faults |
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Sample 1469 |
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_database_code_amcsd 0005241 |
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12.793 12.793 5.367 90 90 120 P6_3 |
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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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O1 .2128 .4266 .7284 .0093 .0220 .0338 .0111 .0009 .0043 |
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O2 .1045 .5588 .7479 .0157 .0083 .0224 .0080 .0002 -.0013 |
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O3 .0004 .3300 .0203 .0224 .0183 .0147 .0139 .0124 .0081 |
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O4 .3205 .3383 .0028 .0143 .0221 .0143 .0065 -.0027 .0081 |
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SiT1 .3289 .4101 .75 .0039 .0054 .0049 .0029 .0001 .0013 |
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AlT2 .0704 .4099 .7508 .0038 .0051 .0059 .0025 -.0005 .0000 |
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Cl 2/3 1/3 .7322 .1314 .1314 .0172 .0657 0 0 |
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Ca 2/3 1/3 .2287 .97 .0114 .0114 .0221 .0057 0 0 |
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Na .1518 .3109 .2716 .51 .0507 .1600 .0355 .0826 -.0019 -.0083 |
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K .1106 .2264 .2564 .43 .0243 .0470 .0633 .0232 -.0007 .0029 |
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O51 -.0511 .0462 .1384 .23 .0707 |
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O52 .0591 .1148 .3619 .25 .0448 |
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S 0 0 .2708 .25 .0156 .0156 .0579 .0078 0 0 |
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O5 0 0 .4964 .28 .0723 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Davyne |
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Rozenberg K A, Rastsvetaeva R K, Chukanov N V |
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Crystallography Reports 54 (2009) 793-799 |
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Crystal structures of oxalate-bearing cancrinite with an unusual |
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arrangement of CO3 groups and sulfate-rich davyne |
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Locality: Sar-e Sang mine, Badakhshan, Afghanistan |
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_database_code_amcsd 0012420 |
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12.773 12.773 5.334 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Na1 .1579 .3108 .268 .50 .025 |
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Na2 .1163 .2292 .267 .37 .049 |
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Ca 2/3 1/3 .2042 .011 |
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K .1163 .2292 .267 .13 .049 |
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Si .0811 .4114 .7446 .0098 |
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Al .3385 .4102 .7440 .0091 |
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O1 .2128 .4253 .704 .019 |
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O2 .1079 .5490 .735 .019 |
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O3 .0234 .3449 .0073 .019 |
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O4 .3275 .3358 .023 .016 |
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Cl 1/3 2/3 .2079 .085 |
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S 0 0 .265 .50 .011 |
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O5 .069 .110 .14 .25 .057 |
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O6 .031 .109 .38 .25 .045 |
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O7 0 0 .51 .50 .069 |
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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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Davyne |
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Bonaccorsi E, Merlino S, Pasero M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 97-112 |
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Davyne: its structural relationships with cancrinite and vishnevite |
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Locality: Monte Somma, Vesuvius, Italy |
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_database_code_amcsd 0014841 |
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12.705 12.705 5.368 90 90 120 P6_3/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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K .2217 .1136 .75 .29 .061 .0837 .0402 .0755 .0424 0 0 |
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NaK .2217 .1136 .75 .21 .061 .0837 .0402 .0755 .0424 0 0 |
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Na .1510 .3097 .25 .5 .052 .0344 .1044 .0381 .0504 0 0 |
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Ca 1/3 2/3 .75 .0099 .0093 .0093 .0111 .0047 0 0 |
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Al .0691 .4086 .75 .0062 .0052 .0057 .0082 .0030 0 0 |
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Si .3284 .4093 .75 .0045 .0046 .0057 .0034 .0028 0 0 |
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S 0 0 .25 1/3 .053 |
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O1 .2145 .4307 .75 .0142 .0086 .0161 .0207 .0082 0 0 |
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O2 .1002 .5567 .75 .0140 .0143 .0087 .0196 .0063 0 0 |
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O3 -.0087 .3230 .0084 .0148 .0193 .0139 .0132 .0098 .0083 .0040 |
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Cl .3150 .6372 .25 1/3 .039 .0536 .0501 .0098 .0234 0 0 |
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OA .0400 .0200 .0200 1/18 .090 |
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OB .0701 .1132 .3746 1/6 .090 |
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Cl' .0490 .0400 -.0750 1/18 .156 |
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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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