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Vicanite-(Ce) |
| |
Ballirano P, Callegari A, Caucia F, Maras A, Mazzi F, Ungaretti L |
 |
American Mineralogist 87 (2002) 1139-1143 |
|
The crystal structure of vicanite - (Ce), a borosilicate showing an unusual |
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(Si3B3O18) polyanion |
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_database_code_amcsd 0002883 |
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10.8112 10.8112 27.3296 90 90 120 R3m |
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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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CeM1 -.13188 .13188 -.31881 .751 .0096 .0092 .0092 .0087 .0033 .0007 -.0007 |
|
CaM1 -.13188 .13188 -.31881 .249 .0096 .0092 .0092 .0087 .0033 .0007 -.0007 |
|
LaM2 -.13794 .13794 .09655 .738 .0121 .0135 .0135 .0097 .0069 -.0008 .0008 |
|
CaM2 -.13794 .13794 .09655 .262 .0121 .0135 .0135 .0097 .0069 -.0008 .0008 |
|
CaM3 .11490 -.11490 -.09790 .992 .0149 .0158 .0158 .0156 .0097 .0018 -.0018 |
|
CeM3 .11490 -.11490 -.09790 .008 .0149 .0158 .0158 .0156 .0097 .0018 -.0018 |
|
CaM4 .13025 -.13025 .46683 .983 .0151 .0132 .0132 .0111 .0008 .0020 -.0020 |
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CeM4 .13025 -.13025 .46683 .017 .0151 .0132 .0132 .0111 .0008 .0020 -.0020 |
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ThM5 .14125 -.14125 .21736 .816 .0088 .0082 .0082 .0088 .0033 -.0002 .0002 |
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CaM5 .14125 -.14125 .21736 .184 .0088 .0082 .0082 .0088 .0033 -.0002 .0002 |
|
Fe 0 0 0 .823 .0064 .0070 .0070 .0051 .0035 0 0 |
|
Al 0 0 0 .177 .0064 .0070 .0070 .0051 .0035 0 0 |
|
Si1 .1692 -.1692 .0431 .0087 .0091 .0091 .0091 .0055 -.0001 .0001 |
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Si2 -.1701 .1701 -.0404 .0084 .0083 .0083 .0089 .0043 .0001 -.0001 |
|
B1 -.0780 .0780 .2926 .0098 .0111 .0111 .0076 .0058 -.0006 .0006 |
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B2 0 0 .1467 .0156 .0143 .0143 .0182 .0072 0 0 |
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As1 0 0 -.2107 .773 .0088 .0092 .0092 .0078 .0046 0 0 |
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P1 0 0 -.2107 .227 .0088 .0092 .0092 .0078 .0046 0 0 |
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As2 0 0 -.4576 .417 .0074 .0078 .0078 .0067 .0039 0 0 |
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Na 0 0 -.4264 .583 .0238 .0311 .0311 .0091 .0156 0 0 |
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O1 .0821 -.0821 .0452 .0111 .0116 .0116 .0135 .0082 .0002 -.0002 |
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O2 .1867 -.1867 -.0149 .0120 .0164 .0164 .0089 .0124 .0013 -.0013 |
|
O3 .3233 -.0680 .0694 .0132 .0122 .0137 .0132 .0060 -.0033 -.0017 |
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O4 -.0837 .0837 -.0490 .0120 .0110 .0110 .0157 .0069 -.0001 .0001 |
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O5 -.1926 .1926 .0170 .0124 .0144 .0144 .0095 .0080 -.0003 .0003 |
|
O6 -.3277 .0783 -.0643 .0151 .0108 .0145 .0142 .0020 -.0033 -.0010 |
|
O7 .0761 -.0761 .3045 .0089 .0081 .0081 .0114 .0049 -.0003 .0003 |
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O8 -.0951 .0951 .2389 .0096 .0122 .0122 .0078 .0087 -.0009 .0009 |
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O9 .0728 -.0728 .1443 .0135 .0152 .0152 .0133 .0099 -.0005 .0005 |
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O10 0 0 -.1491 .0161 .0153 .0153 .0175 .0077 0 0 |
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O11 .1605 .0460 -.2332 .5 .0191 .0125 .0289 .0147 .0094 -.0006 -.0008 |
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O12 -.0812 .0812 -.4922 .417 .0185 .0156 .0156 .0239 .0074 .0001 -.0001 |
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F12 -.0812 .0812 -.4922 .583 .0185 .0156 .0156 .0239 .0074 .0001 -.0001 |
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F13 0 0 -.3366 .0258 .0174 .0174 .0425 .0087 0 0 |
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F14 .0212 .3058 -.1612 .0200 .0165 .0197 .0235 .0088 -.0072 -.0017 |
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Wat 0 0 .435 .21 .0200 |
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Tremolite |
 |
Ballirano P, Andreozzi G B, Belardi G |
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American Mineralogist 93 (2008) 1349-1355 |
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Crystal chemical and structural characterization of fibrous tremolite from |
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Susa Valley, Italy, with comments on potential harmful effects on human health |
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Locality: Condove, Susa Valley, Italy |
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_database_code_amcsd 0004630 |
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9.84174 18.05932 5.27876 90 104.732 90 C2/m |
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atom x y z occ Uiso |
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CaM4 0 .27737 .5 .97 .007 |
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KM4 0 .27737 .5 .005 .007 |
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NaM4 0 .27737 .5 .025 .007 |
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AlM1 0 .08738 .5 .005 .007 |
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FeM1 0 .08738 .5 .025 .007 |
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MgM1 0 .08738 .5 .96 .007 |
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MnM1 0 .08738 .5 .01 .007 |
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MgM2 0 .17656 0 .97 .007 |
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FeM2 0 .17656 0 .03 .007 |
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MgM3 0 0 0 .99 .007 |
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FeM3 0 0 0 .01 .007 |
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Si1 .28106 .08436 .2977 .005 |
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Si2 .28751 .17064 .8041 .005 |
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O1 .1139 .08679 .2178 .008 |
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O2 .1166 .17198 .7236 .008 |
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O3 .1085 0 .7137 .98 .008 |
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F .1085 0 .7137 .015 .008 |
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Cl .1085 0 .7137 .005 .008 |
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O4 .3657 .24749 .7897 .008 |
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O5 .3454 .13364 .0985 .008 |
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O6 .3438 .11794 .5950 .008 |
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O7 .3387 0 .2893 .008 |
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H .206 0 .771 .98 .030 |
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|
| |
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Picromerite |
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Bosi F, Belardi G, Ballirano P |
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American Mineralogist 94 (2009) 74-82 |
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Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, |
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with M2+= Mg, Fe, Co, Ni, Cu, and Zn |
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Locality: synthetic |
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_database_code_amcsd 0004776 |
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9.0954 12.2484 6.1335 90 104.880 90 P2_1/a |
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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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K .13134 .34617 .34067 .03040 .03259 .03123 .02921 -.00269 .01124 -.00037 |
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MgM 0 0 0 .01600 .0154 .0168 .0157 -.0011 .0037 .0002 |
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S .41077 .13607 .72574 .01749 .01540 .01931 .01754 -.00266 .00382 -.00196 |
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O1 .40448 .23014 .57271 .0333 .0511 .0242 .0240 -.0128 .0083 .0023 |
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O2 .55583 .07906 .7543 .0410 .0185 .0552 .0456 .0099 .0016 -.0102 |
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O3 .28666 .06067 .62018 .02365 .0214 .0240 .0257 -.0080 .0064 -.0059 |
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O4 .39265 .17398 .94652 .0272 .0377 .0261 .0193 -.0045 .0103 -.0048 |
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OW1 .16878 .10875 .16561 .02416 .0219 .0284 .0208 -.0074 .0029 -.0005 |
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OW2 -.16687 .11337 .03085 .02245 .0192 .0208 .0272 .0013 .0058 .0010 |
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OW3 -.00576 -.06931 .29752 .02324 .0280 .0219 .0225 .0028 .0114 .0037 |
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H11 .208 .090 .284 .045 |
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H12 .232 .124 .104 .032 |
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H21 -.245 .104 -.054 .049 |
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H22 -.145 .177 -.003 .040 |
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H31 -.073 -.066 .340 .075 |
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H32 .027 -.131 .334 .051 |
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|
| |
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K2Fe(SO4)2(H2O)6 |
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Bosi F, Belardi G, Ballirano P |
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American Mineralogist 94 (2009) 74-82 |
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Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, |
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with M2+= Mg, Fe, Co, Ni, Cu, and Zn |
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Locality: synthetic |
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_database_code_amcsd 0004777 |
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9.0822 12.2786 6.1765 90 104.568 90 P2_1/a |
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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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K .13292 .34612 .34165 .03318 .0335 .0321 .0281 -.0024 .0088 -.0002 |
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FeM 0 0 0 .01664 .0152 .0171 .0157 -.00117 .00047 .00022 |
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S .41170 .13502 .72661 .02074 .0166 .0206 .0174 -.00235 .0016 -.00192 |
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O1 .4065 .22972 .5758 .0370 .0515 .0258 .0242 -.0121 .0038 .0041 |
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O2 .5553 .0764 .7503 .0441 .0202 .0598 .0410 .0109 -.0016 -.0133 |
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O3 .28558 .06087 .6222 .0276 .0230 .0261 .0263 -.0083 .0051 -.0056 |
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O4 .3960 .17192 .9476 .0303 .0377 .0280 .0199 -.0031 .0081 -.0040 |
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OW1 .1725 .11375 .1714 .0284 .0228 .0309 .0214 -.0072 -.0013 .0004 |
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OW2 -.17268 .11702 .0311 .0265 .0210 .0237 .0284 .0028 .0043 .0011 |
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OW3 -.0045 -.07101 .3023 .0274 .0307 .0253 .0214 .0032 .0084 .0037 |
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H11 .215 .088 .298 .029 |
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H12 .247 .121 .108 .061 |
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H21 -.262 .102 -.070 .035 |
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H22 -.128 .185 .034 .070 |
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H31 -.093 -.070 .341 .055 |
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H32 .040 -.141 .354 .061 |
|
|
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|
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K2Co(SO4)2(H2O)6 |
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Bosi F, Belardi G, Ballirano P |
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American Mineralogist 94 (2009) 74-82 |
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Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, |
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with M2+= Mg, Fe, Co, Ni, Cu, and Zn |
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Locality: synthetic |
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_database_code_amcsd 0004778 |
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9.0609 12.2156 6.1586 90 104.839 90 P2_1/a |
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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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K .13269 .34534 .34159 .02916 .0301 .0304 .02903 -.00223 .01121 -.00041 |
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CoM 0 0 0 .01471 .01264 .01578 .01555 -.00105 .00331 .00029 |
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S .41148 .13499 .72532 .01711 .01455 .01910 .01763 -.00239 .00404 -.00191 |
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O1 .40752 .23005 .5751 .0319 .0462 .0242 .0244 -.0119 .0074 .0023 |
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O2 .55540 .07588 .7517 .0387 .0176 .0523 .0427 .0096 .0013 -.0103 |
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O3 .28472 .06080 .6189 .0232 .0189 .0246 .0265 -.0076 .0068 -.0051 |
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O4 .39463 .17267 .9464 .0260 .0355 .0250 .0189 -.0039 .0096 -.0034 |
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OW1 .17019 .11228 .1665 .0233 .0201 .0277 .0207 -.0068 .0028 -.0004 |
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OW2 -.17045 .11495 .0340 .0222 .0177 .0214 .0274 .0011 .0058 .0004 |
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OW3 -.00388 -.06892 .3000 .0226 .0270 .0217 .0215 .0034 .0107 .0036 |
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H11 .205 .091 .290 .035 |
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H12 .238 .121 .102 .048 |
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H21 -.254 .104 -.050 .058 |
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H22 -.147 .176 -.001 .048 |
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H31 -.072 -.060 .346 .061 |
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H32 .024 -.130 .333 .057 |
|
|
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View JMOL 3-D Structure
|
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K2Ni(SO4)2(H2O)6 |
| |
Bosi F, Belardi G, Ballirano P |
| |
American Mineralogist 94 (2009) 74-82 |
|
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, |
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with M2+= Mg, Fe, Co, Ni, Cu, and Zn |
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Locality: synthetic |
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_database_code_amcsd 0004779 |
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9.0049 12.1904 6.1368 90 105.047 90 P2_1/a |
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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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K .13415 .34561 .34287 .02864 .03046 .0295 .02847 -.00189 .01221 -.00026 |
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NiM 0 0 0 .01387 .01271 .01479 .01434 -.00095 .00391 .00014 |
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S .41182 .13508 .72625 .01642 .01451 .01763 .01711 -.00207 .00410 -.00185 |
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O1 .40933 .22977 .5747 .0305 .0466 .0221 .0236 -.0101 .0103 .0021 |
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O2 .55685 .07498 .7563 .0374 .0172 .0486 .0429 .0090 .0017 -.0096 |
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O3 .28357 .06140 .6186 .0223 .0192 .0238 .0248 -.0080 .0073 -.0049 |
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O4 .39398 .17389 .9472 .0257 .0355 .0257 .0177 -.0035 .0100 -.0035 |
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OW1 .16694 .11095 .1630 .0214 .0200 .0245 .0191 -.0061 .0043 -.0013 |
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OW2 -.16659 .11244 .0356 .0204 .0177 .0191 .0246 .0007 .0061 -.0005 |
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OW3 .00028 -.06662 .3016 .0207 .0252 .0197 .0195 .0013 .0100 .0028 |
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H11 .204 .087 .292 .032 |
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H12 .223 .122 .095 .044 |
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H21 -.249 .102 -.051 .048 |
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H22 -.149 .174 -.005 .042 |
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H31 -.065 -.064 .328 .075 |
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H32 .028 -.135 .328 .064 |
|
|
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View JMOL 3-D Structure
|
| |
|
Cyanochroite |
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Bosi F, Belardi G, Ballirano P |
| |
American Mineralogist 94 (2009) 74-82 |
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Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, |
|
with M2+= Mg, Fe, Co, Ni, Cu, and Zn |
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Locality: synthetic |
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_database_code_amcsd 0004780 |
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9.0851 12.1302 6.1674 90 104.450 90 P2_1/a |
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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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K .12305 .34736 .34202 .02853 .02998 .03057 .02703 -.00119 .01086 -.00043 |
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CuM 0 0 0 .01548 .01541 .01697 .01406 -.00243 .00367 .00068 |
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S .40127 .13607 .72269 .01757 .01673 .01915 .01706 -.00278 .00465 -.00135 |
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O1 .39830 .23523 .5827 .0316 .0466 .0233 .0245 -.0109 .0079 .0035 |
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O2 .54389 .07577 .7409 .0359 .0193 .0482 .0381 .0076 .0033 -.0076 |
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O3 .27318 .06377 .61100 .0230 .0201 .0258 .0236 -.0076 .0062 -.0052 |
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O4 .38523 .16801 .94724 .0273 .0357 .0295 .0188 -.0031 .0100 -.0044 |
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OW1 .16072 .11203 .1636 .0261 .0238 .0346 .0192 -.0058 .0043 .0026 |
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OW2 -.18654 .11833 .0369 .0270 .0235 .0282 .0282 -.0021 .0045 .0031 |
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OW3 -.00266 -.06475 .28730 .0204 .0222 .0220 .0188 .0014 .0081 .0033 |
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H11 .194 .093 .295 .055 |
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H12 .228 .122 .098 .044 |
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H21 -.265 .108 -.052 .047 |
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H22 -.161 .184 .005 .055 |
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H31 -.074 -.061 .325 .059 |
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H32 .033 -.131 .316 .064 |
|
|
| Download AMC data (View Text File)
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|
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|
K2Zn(SO4)2(H2O)6 |
| |
Bosi F, Belardi G, Ballirano P |
| |
American Mineralogist 94 (2009) 74-82 |
|
Structural features in Tutton's salts K2[M2+(H2O)6](SO4)2, |
|
with M2+= Mg, Fe, Co, Ni, Cu, and Zn |
|
Locality: synthetic |
|
_database_code_amcsd 0004781 |
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9.0449 12.2213 6.1592 90 104.775 90 P2_1/a |
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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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K .13362 .34570 .34310 .02896 .0311 .0299 .0281 -.0025 .0115 -.0003 |
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ZnM 0 0 0 .01671 .0164 .01722 .01629 -.00150 .00369 .00033 |
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S .41199 .13524 .72669 .01703 .0154 .0183 .0174 -.0026 .0042 -.0014 |
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O1 .4079 .23002 .5770 .0327 .0506 .0238 .0228 -.0123 .0076 .0030 |
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O2 .5562 .0760 .7528 .0388 .0187 .0518 .0430 .0100 .0023 -.0104 |
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O3 .2841 .06149 .6206 .0232 .0189 .0260 .0255 -.0078 .0070 -.0068 |
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O4 .3954 .17307 .9477 .0255 .0339 .0257 .0190 -.0033 .0103 -.0046 |
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OW1 .1699 .11285 .1667 .0232 .0209 .0271 .0210 -.0065 .0042 -.0004 |
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OW2 -.1702 .11474 .0352 .0222 .0199 .0219 .0248 .0005 .0056 .0001 |
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OW3 -.0023 -.06799 .3000 .0225 .0272 .0220 .0206 .0025 .0104 .0019 |
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H11 .199 .095 .292 .039 |
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H12 .230 .121 .105 .038 |
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H21 -.245 .100 -.053 .047 |
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H22 -.149 .173 .003 .057 |
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H31 -.084 -.063 .337 .067 |
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H32 .031 -.127 .329 .050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Erionite-K |
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Ballirano P, Andreozzi G B, Dogan M, Dogan A U |
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American Mineralogist 94 (2009) 1262-1270 |
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Crystal structure and iron topochemistry of |
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erionite-K from Rome, Oregon, U.S.A. |
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Locality: Rome, Oregon, USA |
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_database_code_amcsd 0004973 |
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13.22794 13.22794 15.06946 90 90 120 P6_3/mmc |
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atom x y z occ Uiso |
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K1 0 0 .25 .976 .0286 |
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NaB .3065 .6130 .0902 .209 .202 |
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CaB .3065 .6130 .0902 .090 .202 |
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MgA .308 .617 .872 .093 .202 |
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MnB .3065 .6130 .0902 .002 .202 |
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Al1 .23397 -.00016 .10440 .143 .0054 |
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Si1 .23397 -.00016 .10440 .857 .0054 |
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Si2 .09314 .42355 .25 .723 .0091 |
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Al2 .09314 .42355 .25 .277 .0091 |
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O1 .34747 .02431 .66096 .0122 |
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O2 .09799 .1960 .12546 .0108 |
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O3 .12540 .2508 .6335 .0242 |
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O4 .26678 0 0 .0125 |
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O5 .23430 .4686 .25 .0318 |
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O6 .45910 .9182 .25 .0339 |
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K2 .5 0 0 .135 .0286 |
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Wat1 .2299 .4597 .75 .744 .080 |
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Wat2 .2635 .5269 -.0388 .279 .182 |
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Wat3 .4317 .8633 .921 .377 .182 |
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Wat4 .4352 .8704 .6626 .458 .182 |
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Wat5 .2667 .533 .681 .366 .182 |
|
Wat6 .4435 .8871 .0143 .693 .182 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fluoro-edenite |
| |
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A |
| |
American Mineralogist 94 (2009) 1333-1340 |
|
Structural and spectroscopic characterization of a suite of fibrous amphiboles |
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with high environmental and health relevance from Biancaville (Sicily, Italy) |
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Locality: Biancaville, Sicily, Italy |
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Sample Name: Sample 1 |
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_database_code_amcsd 0004975 |
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9.8056 18.0105 5.2725 90 104.406 90 C2/m |
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atom x y z occ Uiso |
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O1 .1105 .0865 .2174 .01 |
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O2 .1180 .1703 .7250 .01 |
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O3 .1014 0 .7090 .01 |
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O4 .3681 .2477 .7997 .01 |
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O5 .3459 .1328 .0976 .01 |
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O6 .3442 .1139 .5987 .01 |
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O7 .3451 0 .2745 .01 |
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SiT1 .2772 .08347 .2926 .96 .005 |
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AlT1 .2772 .08347 .2926 .04 .005 |
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SiT2 .2917 .16898 .8050 .96 .005 |
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AlT2 .2917 .16898 .8050 .04 .005 |
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MgM1 0 .0884 .5 .95 .006 |
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Fe2+M1 0 .0884 .5 .05 .006 |
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MgM2 0 .1770 0 .80 .006 |
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Fe2+M2 0 .1770 0 .02 .006 |
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Fe3+M2 0 .1770 0 .18 .006 |
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MgM3 0 0 0 .006 |
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CaM4 0 .27571 .5 .64 .011 |
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NaM4 0 .27571 .5 .24 .011 |
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MnM4 0 .27571 .5 .04 .011 |
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FeM4 0 .27571 .5 .08 .011 |
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KA 0 .5 0 .21 .025 |
|
NaA 0 .5 0 .79 .025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A |
| |
American Mineralogist 94 (2009) 1333-1340 |
|
Structural and spectroscopic characterization of a suite of fibrous amphiboles |
|
with high environmental and health relevance from Biancaville (Sicily, Italy) |
|
Locality: Biancaville, Sicily, Italy |
|
Sample Name: Sample 2 |
|
_database_code_amcsd 0004976 |
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9.8112 18.0162 5.2774 90 104.624 90 C2/m |
|
atom x y z occ Uiso |
|
O1 .1109 .0850 .2225 .01 |
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O2 .1186 .1722 .7215 .01 |
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O3 .1048 0 .7092 .01 |
|
O4 .3661 .2486 .7914 .01 |
|
O5 .3475 .1342 .0990 .01 |
|
O6 .3443 .1162 .5968 .01 |
|
O7 .3431 0 .289 .01 |
|
SiT1 .2794 .08388 .2957 .95 .005 |
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AlT1 .2794 .08388 .2957 .05 .005 |
|
SiT2 .2916 .17076 .8052 .95 .005 |
|
AlT2 .2916 .17076 .8052 .05 .005 |
|
MgM1 0 .0882 .5 .96 .006 |
|
Fe2+M1 0 .0882 .5 .04 .006 |
|
MgM2 0 .1768 0 .72 .006 |
|
Fe2+M2 0 .1768 0 .04 .006 |
|
Fe3+M2 0 .1768 0 .24 .006 |
|
MgM3 0 0 0 .99 .006 |
|
Fe2+M3 0 0 0 .01 .006 |
|
CaM4 0 .2762 .5 .78 .011 |
|
NaM4 0 .2762 .5 .16 .011 |
|
MnM4 0 .2762 .5 .02 .011 |
|
Fe2+M4 0 .2762 .5 .04 .011 |
|
KA 0 .5 0 .09 .020 |
|
NaA(m) .082 .5 .079 .31 .030 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A |
| |
American Mineralogist 94 (2009) 1333-1340 |
|
Structural and spectroscopic characterization of a suite of fibrous amphiboles |
|
with high environmental and health relevance from Biancaville (Sicily, Italy) |
|
Locality: Biancaville, Sicily, Italy |
|
Sample Name: Sample 3 |
|
_database_code_amcsd 0004977 |
|
9.8272 17.9899 5.2756 90 104.596 90 C2/m |
|
atom x y z occ Uiso |
|
O1 .1121 .08488 .2196 .01 |
|
O2 .1168 .17076 .7279 .01 |
|
O3 .1016 0 .7136 .01 |
|
O4 .3614 .24898 .7982 .01 |
|
O5 .3492 .13333 .1006 .01 |
|
O6 .3434 .11831 .5983 .01 |
|
O7 .3454 0 .2830 .01 |
|
SiT1 .28044 .08421 .2971 .95 .005 |
|
AlT1 .28044 .08421 .2971 .05 .005 |
|
SiT2 .28837 .17102 .8057 .95 .005 |
|
AlT2 .28837 .17102 .8057 .05 .005 |
|
MgM1 0 .08670 .5 .94 .006 |
|
Fe3+M1 0 .08670 .5 .06 .006 |
|
MgM2 0 .17833 0 .85 .006 |
|
Fe2+M2 0 .17833 0 .02 .006 |
|
Fe3+M2 0 .17833 0 .13 .006 |
|
MgM3 0 0 0 .006 |
|
CaM4 0 .27751 .5 .70 .011 |
|
NaM4 0 .27751 .5 .19 .011 |
|
MnM4 0 .27751 .5 .03 .011 |
|
MgM4 0 .27751 .5 .08 .011 |
|
KA 0 .5 0 .10 .020 |
|
NaA(m) .0443 .5 .131 .47 .030 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Andreozzi G B, Ballirano P, Gianfagna A, Mazziotti-Tagliani S, Pacella A |
| |
American Mineralogist 94 (2009) 1333-1340 |
|
Structural and spectroscopic characterization of a suite of fibrous amphiboles |
|
with high environmental and health relevance from Biancaville (Sicily, Italy) |
|
Locality: Biancaville, Sicily, Italy |
|
Sample Name: Sample 4 |
|
_database_code_amcsd 0004978 |
|
9.7935 17.9728 5.2746 90 104.403 90 C2/m |
|
atom x y z occ Uiso |
|
O1 .1100 .0857 .2205 .01 |
|
O2 .1142 .1733 .7190 .01 |
|
O3 .1048 0 .7177 .01 |
|
O4 .3614 .24980 .8014 .01 |
|
O5 .3497 .1327 .0931 .01 |
|
O6 .3427 .1195 .5938 .01 |
|
O7 .3462 0 .2874 .01 |
|
SiT1 .2780 .08468 .2939 .95 .005 |
|
AlT1 .2780 .08468 .2939 .05 .005 |
|
SiT2 .2906 .17007 .8080 .95 .005 |
|
AlT2 .2906 .17007 .8080 .05 .005 |
|
MgM1 0 .08645 .5 .98 .006 |
|
Fe3+M1 0 .08645 .5 .02 .006 |
|
MgM2 0 .17903 0 .74 .006 |
|
Fe2+M2 0 .17903 0 .02 .006 |
|
Fe3+M2 0 .17903 0 .24 .006 |
|
MgM3 0 0 0 .96 .006 |
|
Fe3+M3 0 0 0 .04 .006 |
|
CaM4 0 .27827 .5 .65 .011 |
|
NaM4 0 .27827 .5 .22 .011 |
|
MnM4 0 .27827 .5 .03 .011 |
|
MgM4 0 .27827 .5 .10 .011 |
|
KA 0 .5 0 .24 .025 |
|
NaA 0 .5 0 .76 .025 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Liottite |
|
Ballirano P, Merlino S, Bonaccorsi E, Maras A |
|
The Canadian Mineralogist 34 (1996) 1021-1030 |
|
The crystal structure of liottite, a six-layer member of the cancrinite group |
|
_database_code_amcsd 0005509 |
|
12.870 12.870 16.096 90 90 120 P-6 |
|
atom x y z occ Uiso |
|
Si1 .9954 .7437 0 .0077 |
|
Al1 .3339 .4088 .83304 .0081 |
|
Si2 .67182 .08217 .66374 .0075 |
|
Al2 .3364 .4097 .5 .0071 |
|
Si3 .58517 .66611 .83287 .0077 |
|
Al3 .7378 .7488 0 .0076 |
|
Si4 .5873 .6700 .5 .0072 |
|
Al4 .9282 .3431 .66345 .0079 |
|
O1 .8771 .1258 0 .0250 |
|
O2 .1025 .8798 0 .0207 |
|
O3 .9943 .6706 .9182 .0190 |
|
O4 .6631 .6698 .9119 .0203 |
|
O5 .2179 .7886 .8253 .0209 |
|
O6 .4501 .5552 .8386 .0209 |
|
O7 .3463 .3310 .7491 .0179 |
|
O8 .6574 .6560 .7543 .0193 |
|
O9 .5464 .4367 .6545 .0170 |
|
O10 .7933 .2105 .6632 .0266 |
|
O11 .6772 .0062 .5856 .0179 |
|
O12 .6659 .6735 .5794 .0177 |
|
O13 .2173 .7836 .5 .0197 |
|
O14 .4540 .5557 .5 .0148 |
|
Ca1 1/3 2/3 .5 .0162 |
|
Ca2 1/3 2/3 .8330 .0172 |
|
Ca3 0 0 .9783 .5 .0219 |
|
Ca4 2/3 1/3 .3915 .5 .0191 |
|
Ca5 2/3 1/3 .3436 .5 .0294 |
|
K1 .8463 .1651 .5 .0170 |
|
K1a .857 .143 .5 .0170 |
|
K2 .1125 .8864 .6651 .0392 |
|
K2a .145 .851 .675 .0392 |
|
K3 .8364 .1722 .8313 .0248 |
|
K3a .816 .191 .847 .0248 |
|
K4 .5543 .4458 0 .0338 |
|
F .7476 .2700 .5 .167 .0256 |
|
Cl1 1/3 2/3 0 .0732 |
|
Cl2 2/3 1/3 .5 .5 .1608 |
|
Cl3 1/3 2/3 .3335 .0742 |
|
S1 0 0 .7971 .5 .0172 |
|
S1' .977 .013 .7874 .167 .0338 |
|
S2 .0357 .017 .5 1/3 .0348 |
|
S3 2/3 1/3 .8568 .0410 |
|
OS1a 0 0 .886 .5 .1005 |
|
OS1b .1213 .0582 .7676 2/3 .0738 |
|
OS1c .056 .094 .723 1/6 .1154 |
|
OS1d .119 .054 .845 1/3 .0864 |
|
OS2a .119 .058 .426 1/3 .0649 |
|
OS2b .110 .051 .479 1/3 .1349 |
|
OS3a 2/3 1/3 .2409 .5 .0350 |
|
OS3b .7285 .4595 .8789 2/3 .0366 |
|
OS3c .692 .298 .211 1/6 .0931 |
|
OS3d .728 .288 .913 1/3 .1281 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
IMA2008-065 |
| |
Ballirano P, Bonaccorsi E, Merlino S |
|
The Canadian Mineralogist 36 (1998) 1285-1292 |
|
Carbonate groups in davyne: Structural and crystal-chemical considerations |
|
_database_code_amcsd 0005578 |
|
12.6916 12.6916 5.3333 90 90 120 P6_3 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .32745 .40795 .746 .0066 .0082 .0097 .0040 .0004 .0006 |
|
Al .06911 .40807 .746 .0077 .0084 .0095 .0047 .0003 .0004 |
|
O1 .2138 .4297 .717 .0117 .0267 .0437 .0140 .0044 .0108 |
|
O2 .0977 .5557 .741 .0195 .0103 .0225 .0089 .0001 .0000 |
|
O3 .0030 .3254 .018 .0274 .0201 .0193 .0164 .0139 .0085 |
|
O4 .3147 .3354 .001 .0183 .0204 .0160 .0064 -.0050 .0072 |
|
Ca 2/3 1/3 .218 .0148 .0148 .0256 .0074 0 0 |
|
Cl .336 .650 .221 .33 .1357 .1119 .0211 .0849 -.0283 -.0247 |
|
NaM1 .1179 .2459 .288 .43 .0209 .0432 .0381 .0222 .0048 -.0041 |
|
CaM1 .1179 .2459 .288 .10 .0209 .0432 .0381 .0222 .0048 -.0041 |
|
NaM2 .119 .234 .219 .22 .0337 .0715 .0357 .0423 .0094 -.0071 |
|
CaM2 .119 .234 .219 .05 .0337 .0715 .0357 .0423 .0094 -.0071 |
|
NaM3 .154 .316 .260 .16 .0549 .1622 .0344 .0840 -.0046 -.0066 |
|
CaM3 .154 .316 .260 .04 .0549 .1622 .0344 .0840 -.0046 -.0066 |
|
C1 0 0 .167 .29 |
|
OC1 .114 .059 .167 .29 .0222 .0276 .1200 .0120 -.0013 -.0178 |
|
C2 0 0 .380 .10 |
|
OC2 .118 .060 .380 .19 .0222 .0276 .1200 .0120 -.0013 -.0178 |
|
S 0 0 .266 .09 |
|
OS 0 0 .98 .09 |
|
Cl1 .014 .059 .08 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franzinite |
|
Ballirano P, Bonaccorsi E, Maras A, Merlino S |
|
The Canadian Mineralogist 38 (2000) 657-668 |
|
The crystal structure of franzinite, the ten-layer mineral of |
|
the cancrinite group |
|
_database_code_amcsd 0005652 |
|
12.916 12.916 26.543 90 90 120 P321 |
|
atom x y z occ Uiso |
|
Si1 .5834 .6684 .9018 .0158 |
|
Al1 .4190 .3332 .0978 .0135 |
|
Al2 .5866 .6658 .1963 .019 |
|
Si2 .4158 .3323 .8038 .0121 |
|
Al3 .5927 .6770 .6028 .0120 |
|
Si3 .4162 .3365 .3964 .0139 |
|
Al4 .7511 .7511 0 .018 |
|
Si4 .2472 .2472 0 .013 |
|
Si5 .7486 .7495 .2976 .0131 |
|
Al5 .2540 .2515 .7026 .015 |
|
Si6 .7485 .7485 .5 .014 |
|
Al6 .2544 .2544 .5 .012 |
|
O1 .4462 .218 .1051 .065 |
|
O2 .875 .7478 .2876 .028 |
|
O3 .2425 .1159 .5098 .025 |
|
O4 .322 .0005 .3468 .028 |
|
O5 .671 .002 .6482 .025 |
|
O6 .659 .6760 .5470 .022 |
|
O7 .353 .3302 .4504 .022 |
|
O8 .669 .650 .1495 .049 |
|
O9 .348 .351 .8495 .060 |
|
O10 .4501 .2340 .3901 .022 |
|
O11 .666 .686 .9481 .072 |
|
O12 .327 .307 .0468 .084 |
|
O13 .442 .549 .1995 .035 |
|
O14 .541 .0786 .3940 .026 |
|
O15 .656 .673 .2534 .027 |
|
O16 .344 .320 .7537 .053 |
|
O17 .888 .7821 .6994 .030 |
|
O18 .4275 .220 .8161 .037 |
|
O19 .9157 .454 .0863 .065 |
|
O20 .120 .233 .0106 .074 |
|
S1 .373 .676 .0546 1/3 .064 |
|
S2 .343 .706 .7415 1/3 .078 |
|
S3 .025 .023 .1561 1/3 .080 |
|
S4 1/3 2/3 .3199 .0293 |
|
S5 1/3 2/3 .4884 .0241 |
|
Wat .009 .039 .604 .11 |
|
KA1 2/3 1/3 .8189 .0370 |
|
NaA2 0 0 .490 .5 .20 |
|
NaA3 0 0 .7218 .19 .034 |
|
KA3 0 0 .7218 .17 .034 |
|
NaA3a 0 0 .7477 .10 .034 |
|
KA3a 0 0 .7477 .08 .034 |
|
NaA3b 0 0 .7009 .12 .034 |
|
KA3b 0 0 .7009 .10 .034 |
|
NaA4 0 0 .0318 .24 .060 |
|
KA4 0 0 .0318 .03 .060 |
|
NaA4a 0 0 0 .06 .060 |
|
KA4a 0 0 0 .01 .060 |
|
KA5 2/3 1/3 .3733 .0276 |
|
NaA6 2/3 1/3 .0635 .31 .051 |
|
KA6 2/3 1/3 .0635 .06 .051 |
|
NaA6a 2/3 1/3 .1339 .21 .051 |
|
KA6a 2/3 1/3 .1339 .04 .051 |
|
NaM1 .503 .503 0 .28 .047 |
|
KM1 .503 .503 0 .14 .047 |
|
NaM1a .450 .544 .0150 .09 .047 |
|
KM1a .450 .544 .0150 .05 .047 |
|
KM2 .7815 .5649 .5960 .74 .0289 |
|
NaM2 .7815 .5649 .5960 .17 .0289 |
|
NaM3 .4909 .5140 .3017 .50 .0396 |
|
KM3 .4909 .5140 .3017 .16 .0396 |
|
KM4 .5015 .5015 .5 .47 .0284 |
|
NaM4 .5015 .5015 .5 .34 .0284 |
|
NaM5 .849 .6967 .8973 .21 .041 |
|
KM5 .849 .6967 .8973 .08 .041 |
|
NaM5a .806 .586 .9164 .09 .041 |
|
KM5a .806 .586 .9164 .03 .041 |
|
NaM5b .873 .760 .8870 .11 .041 |
|
KM5b .873 .760 .8870 .04 .041 |
|
NaM5c .829 .650 .903 .08 .041 |
|
KM5c .829 .650 .903 .03 .041 |
|
NaM6 .834 .6655 .2001 .20 .034 |
|
KM6 .834 .6655 .2001 .13 .034 |
|
NaM6a .772 .556 .2169 .09 .034 |
|
KM6a .772 .556 .2169 .06 .034 |
|
NaM6b .873 .726 .1849 .08 .034 |
|
KM6b .873 .726 .1849 .05 .034 |
|
NaM6c .795 .605 .2139 .07 .034 |
|
KM6c .795 .605 .2139 .05 .034 |
|
OS1a .617 .32 .9054 .12 |
|
OS1b .375 .603 .0207 .16 |
|
OS1c .488 .736 .076 .16 |
|
OS2a .401 .786 .7078 .10 |
|
OS2b .730 .470 .225 .07 |
|
OS2c .728 .399 .229 .12 |
|
OS3a .046 .126 .131 .08 |
|
OS3b .113 .078 .184 .18 |
|
OS3c .045 .042 .113 .13 |
|
OS4a 1/3 2/3 .2650 .093 |
|
OS4b .396 .789 .3390 .053 |
|
OS5a 1/3 2/3 .5433 .058 |
|
OS5b .397 .791 .4698 .042 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-edenite |
| |
Gianfagna A, Andreozzi G B, Ballirano P, Mazziotti-Tagliani S, Bruni B M |
| |
The Canadian Mineralogist 45 (2007) 249-262 |
|
Structural and chemical contrasts between prismatic and fibrous fluoro-edenite |
|
from Biancavilla, Sicily, Italy |
|
Locality: Biancavilla, Mt. Etna, Sicily, Italy |
|
_database_code_amcsd 0006136 |
|
9.8125 18.0188 5.2781 90 104.620 90 C2/m |
|
atom x y z occ Uiso |
|
KA 0 .5 0 .157 .02 |
|
NaAm .074 .5 .067 .154 .030 |
|
CaM4 0 .2761 .5 .753 .011 |
|
NaM4 0 .2761 .5 .247 .011 |
|
AlM1 0 .0886 .5 .052 .006 |
|
TiM1 0 .0886 .5 .031 .006 |
|
MgM1 0 .0886 .5 .917 .006 |
|
Fe3+M2 0 .1767 0 .167 .006 |
|
Fe2+M2 0 .1767 0 .063 .006 |
|
MnM2 0 .1767 0 .031 .006 |
|
MgM2 0 .1767 0 .729 .006 |
|
Fe2+M3 0 0 0 .037 .006 |
|
MgM3 0 0 0 .963 .006 |
|
SiT1 .2807 .0838 .2961 .933 .005 |
|
AlT1 .2807 .0838 .2961 .067 .005 |
|
SiT2 .2913 .1709 .8047 .933 .005 |
|
AlT2 .2913 .1709 .8047 .067 .005 |
|
O1 .1115 .0851 .2219 .010 |
|
O2 .1191 .1727 .7217 .010 |
|
F3 .1028 0 .7077 .985 .010 |
|
Cl3 .1028 0 .7077 .010 .010 |
|
O4 .3670 .2487 .7903 .010 |
|
O5 .3463 .1344 .0986 .010 |
|
O6 .3453 .1168 .5959 .010 |
|
O7 .3425 0 .2917 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Afghanite |
|
Ballirano P, Bonaccorsi E, Maras A, Merlino S |
| |
European Journal of Mineralogy 9 (1997) 21-30 |
|
Crystal structure of afghanite, the eight-layer member |
|
of the cancrinite-group: evidence for long-range Si,Al ordering |
|
_database_code_amcsd 0006636 |
|
12.8013 12.8013 21.4119 90 90 120 P31c |
|
atom x y z occ Uiso |
|
Si1 .2530 .0000 .4950 .0049 |
|
Al1 .7412 .0000 .9952 .0117 |
|
Si2 .9234 .5849 .3687 .0091 |
|
Al2 .0784 .4032 .8684 .0088 |
|
Si3 .0056 .2570 .2445 .0091 |
|
Al3 .0040 .7424 .7450 .0057 |
|
Si4 .9232 .5851 .1217 .0075 |
|
Al4 .0783 .4035 .6220 .0070 |
|
O1 .342 .333 .6773 .0254 |
|
O2 .669 .680 .1820 .0194 |
|
O3 .348 .345 .8062 .0161 |
|
O4 .663 .668 .3020 .0194 |
|
O5 .122 .887 .7462 .0147 |
|
O6 .336 .335 .4281 .0266 |
|
O7 .674 .677 .9335 .0214 |
|
O8 .3516 .3424 .0554 .0153 |
|
O9 .658 .669 .5508 .0220 |
|
O10 .121 .883 .0028 .0310 |
|
O11 .117 .887 .4947 .0217 |
|
O12 .118 .884 .2491 .0223 |
|
O13 .4580 .5465 .6257 .0293 |
|
O14 .4562 .5482 .8750 .0202 |
|
O15 .2113 .7732 .6264 .0208 |
|
O16 .2128 .7715 .8660 .0188 |
|
Ca1 0 0 0 .0175 |
|
Ca2 0 0 .2500 .0163 |
|
Ca3 1/3 2/3 .6296 .90 .0131 |
|
Ca3a 1/3 2/3 .660 .10 .0131 |
|
Ca4 1/3 2/3 .8791 .90 .0147 |
|
Ca4a 1/3 2/3 .853 .10 .0147 |
|
Cl1 0 0 .1237 .0701 |
|
Cl2 0 0 .3739 .0796 |
|
Cl3 1/3 2/3 .7527 .90 .1157 |
|
F .4018 .5995 .7452 .0334 .0500 |
|
K1 .4432 .2235 .8651 .17 .0387 |
|
Ca1 .4432 .2235 .8651 .06 .0387 |
|
Na1 .4432 .2235 .8651 .27 .0387 |
|
K1a .386 .199 .860 .17 .0387 |
|
Ca1a .386 .199 .860 .06 .0387 |
|
Na1a .386 .199 .860 .27 .0387 |
|
K2 .5054 .5014 .9912 .305 .0377 |
|
Ca2 .5054 .5014 .9912 .145 .0377 |
|
Na2 .5054 .5014 .9912 .55 .0377 |
|
K3 .5211 .4845 .7412 .015 .0399 |
|
Ca3 .5211 .4845 .7412 .008 .0399 |
|
Na3 .5211 .4845 .7412 .97 .0399 |
|
K4 .423 .210 .6238 .0666 .0341 |
|
Ca4 .423 .210 .6238 .0303 .0341 |
|
Na4 .423 .210 .6238 .41 .0341 |
|
K4a .456 .236 .6163 .06 .0341 |
|
Ca4a .456 .236 .6163 .03 .0341 |
|
Na4a .456 .236 .6163 .41 .0341 |
|
S1 1/3 2/3 .2475 .0429 |
|
S2 1/3 2/3 .4625 .0445 |
|
S3 1/3 2/3 .0301 .0532 |
|
OS1a .444 .744 .278 1/3 .0920 |
|
OS1b .400 .619 .208 1/3 .1173 |
|
OS1c .40 .64 .296 1/3 .1387 |
|
OS1d .432 .762 .214 1/3 .1895 |
|
OS2a 1/3 2/3 .5231 .1252 |
|
OS2b .211 .608 .442 .0875 |
|
OS3a .206 .587 .073 1/3 .1621 |
|
OS3b .215 .608 .042 2/3 .1251 |
|
OS3c .265 .635 .970 1/3 .1596 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bassanite |
|
Ballirano P, Maras A, Meloni S, Caminiti R |
| |
European Journal of Mineralogy 13 (2001) 985-993 |
|
The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate |
|
_database_code_amcsd 0006909 |
|
12.0350 6.9294 12.6705 90 90.266 90 I2 |
|
atom x y z Biso |
|
Ca1 0 .5 0 .91 |
|
Ca2 .5 .011 0 .91 |
|
Ca3 .2380 .199 .1677 .91 |
|
Ca4 .2217 .165 .6648 .91 |
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S1 -.0016 .499 .2493 .75 |
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S2 .2247 .164 .9183 .75 |
|
S3 .2282 .185 .4146 .75 |
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O1 .127 .211 .984 .90 |
|
O2 .125 .230 .473 .90 |
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O3 .074 .616 .315 .90 |
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O4 .075 .620 .816 .90 |
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O5 .196 .044 .332 .90 |
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O6 .205 -.015 .858 .90 |
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O7 .057 .366 .178 .90 |
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O8 .058 .376 .673 .90 |
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O9 .272 .359 .361 .90 |
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O10 .238 .317 .838 .90 |
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O11 .319 .161 .991 .90 |
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O12 .308 .103 .491 .90 |
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Wat1 0 .843 0 6.4 |
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Wat2 .953 .004 .353 6.4 |
|
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|
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Dietrichite |
|
Ballirano P, Bellatreccia F, Grubessi O |
| |
European Journal of Mineralogy 15 (2003) 1043-1049 |
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New crystal-chemical and structural data of dietrichite, |
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ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group |
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_database_code_amcsd 0007025 |
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6.1757 24.262 21.206 90 100.436 90 P2_1/c |
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atom x y z occ Uiso |
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Zn .370 .5957 .0803 .954 .014 |
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Al(1) .441 .6128 .4242 .97 .016 |
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Al(2) .692 .3454 .1957 1.02 .016 |
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S(1) .087 .2431 .5261 .018 |
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S(2) .964 .4644 .3886 .018 |
|
S(3) .140 .1961 .2571 .018 |
|
S(4) .165 .4745 .1045 .018 |
|
O(1) .136 .214 .4694 .035 |
|
O(2) .017 .2999 .508 .035 |
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O(3) -.089 .2146 .551 .035 |
|
O(4) .287 .244 .5762 .035 |
|
O(5) .993 .436 .3293 .035 |
|
O(6) .894 .5217 .372 .035 |
|
O(7) .793 .436 .417 .035 |
|
O(8) .173 .4646 .4352 .035 |
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O(9) .132 .188 .3257 .035 |
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O(10) .220 .2528 .249 .035 |
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O(11) -.082 .1884 .218 .035 |
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O(12) .294 .1560 .236 .035 |
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O(13) .157 .4426 .1639 .035 |
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O(14) .236 .4383 .056 .035 |
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O(15) -.057 .4962 .079 .035 |
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O(16) .323 .5207 .120 .035 |
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Wat(1) .697 .586 .122 .035 |
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Wat(2) .324 .634 .165 .035 |
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Wat(3) .434 .673 .043 .035 |
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Wat(4) .044 .609 .044 .035 |
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Wat(5) .406 .559 -.004 .035 |
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Wat(6) .491 .559 .366 .035 |
|
Wat(7) .153 .620 .375 .035 |
|
Wat(8) .536 .668 .371 .035 |
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Wat(9) .368 .669 .480 .035 |
|
Wat(10) .733 .606 .472 .035 |
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Wat(11) .357 .560 .478 .035 |
|
Wat(12) .529 .348 .112 .035 |
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Wat(13) .943 .317 .168 .035 |
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Wat(14) .603 .271 .208 .035 |
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Wat(15) .839 .344 .281 .035 |
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Wat(16) .444 .372 .224 .035 |
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Wat(17) .785 .418 .187 .035 |
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Wat(18) .808 .259 .364 .035 |
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Wat(19) .199 .540 .264 .035 |
|
Wat(20) .665 .507 .234 .035 |
|
Wat(21) .405 .389 .346 .035 |
|
Wat(22) .416 .291 .413 .035 |
|
|
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|
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Cancrinite |
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Ballirano P, Maras A |
| |
European Journal of Mineralogy 16 (2004) 135-141 |
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The crystal structure of a "disordered" cancrinite |
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Locality: Cava Satom, Cameroon |
|
_database_code_amcsd 0007028 |
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12.6216 12.6216 5.1293 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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Na 2/3 1/3 .3664 .0309 .0233 .0233 .0462 .0117 0 0 |
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Na1 .8762 .7555 .6885 .41 .0207 .0181 .0188 .0248 .0090 .0005 -.0008 |
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Ca1 .8762 .7555 .6885 .09 .0207 .0181 .0188 .0248 .0090 .0005 -.0008 |
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Na2 .8719 .7469 .733 .445 .0294 .0224 .0442 .0282 .0216 .0085 .0169 |
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Ca2 .8719 .7469 .733 .055 .0294 .0224 .0442 .0282 .0216 .0085 .0169 |
|
Si .91733 .58917 .25081 .00850 .00816 .00943 .00829 .00469 .00018 .00043 |
|
Al .66291 .58775 .25000 .00865 .00838 .00936 .00859 .00473 .00024 .00028 |
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O1 .79802 .59493 .3432 .0151 .0119 .0227 .0144 .0114 .0017 .0023 |
|
O2 .88515 .44900 .2757 .0196 .0221 .0125 .0271 .0108 .0026 .0012 |
|
O3 .95548 .64105 .9557 .0158 .0141 .0247 .0097 .0105 .0029 .0040 |
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O4 .67937 .64914 .9394 .0157 .0169 .0236 .0113 .0136 .0013 .0049 |
|
CA 0 0 .830 .403 .052 .0148 .0148 .1254 .0074 0 0 |
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OA 0 0 .830 .020 .052 .0148 .0148 .1254 .0074 0 0 |
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SA 0 0 .830 .015 .052 .0148 .0148 .1254 .0074 0 0 |
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OCA .8812 .9422 .825 .418 .054 .0198 .0194 .1202 .0085 .0068 .0033 |
|
CB 0 0 .591 .310 .046 .0154 .0154 .1083 .0077 0 0 |
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SB 0 0 .591 .020 .046 .0154 .0154 .1083 .0077 0 0 |
|
OB 0 0 .591 .015 .046 .0154 .0154 .1083 .0077 0 0 |
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OCB .8802 .9403 .598 .330 .049 .0154 .0254 .1029 .0087 -.0058 .0056 |
|
Wat .6872 .3869 .814 1/3 .058 .0745 .0740 .0309 .0414 .0016 -.0026 |
|
|
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|
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|
Sodalite |
|
Ballirano P, Maras A |
| |
European Journal of Mineralogy 17 (2005) 805-812 |
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Crystal chemical and structural characterization of an |
|
unusual CO3-bearing sodalite-group mineral |
|
Locality: Mt. Vesuvio, Italy |
|
_database_code_amcsd 0007133 |
|
9.0352 9.0352 9.0352 90 90 90 P-43n |
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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) |
|
NaM3 .736 .736 .736 .19 .045 .0446 .0446 .0446 .0350 .0350 .0350 |
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KM3 .736 .736 .736 .046 .045 .0446 .0446 .0446 .0350 .0350 .0350 |
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CaM3 .736 .736 .736 .004 .045 .0446 .0446 .0446 .0350 .0350 .0350 |
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NaM2 .6871 .6871 .6871 .47 .029 .0293 .0293 .0293 .0104 .0104 .0104 |
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CaM2 .6871 .6871 .6871 .15 .029 .0293 .0293 .0293 .0104 .0104 .0104 |
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KM1 .659 .659 .659 .129 .022 .0224 .0224 .0224 .0029 .0029 .0029 |
|
Si .25 .5 0 .0094 .0081 .0101 .0101 0 0 0 |
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Al .25 0 .5 .0096 .0087 .0100 .0100 0 0 0 |
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O1 .14265 .15237 .45424 .0200 .0177 .0183 .0240 .0096 .0016 .0004 |
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S .4605 .4605 .4605 .096 .036 |
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Cl 0 0 0 .47 .060 |
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C 0 0 0 .15 .060 |
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O2a .638 .518 .461 .0588 .05 |
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O2b .373 .408 .470 .032 .05 |
|
O2c .379 .346 .435 .032 .05 |
|
O2d .600 .600 .600 .128 .05 |
|
|
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|
| |
|
Arsenolite |
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Ballirano P, Maras A |
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Zeitschrift fur Kristallographie 217 (2002) 177-178 |
|
Refinement of the crystal structure of arsenolite, As2O3 |
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Locality: starting material (realgar) from Monte Sughereto, Latium, Italy |
|
_database_code_amcsd 0011094 |
|
11.07343 11.07343 11.07343 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
As .77221 .77221 .77221 .0169 .0169 .0169 .0003 .0003 .0003 |
|
O .9524 .125 .125 .027 .020 .020 0 0 .010 |
|
|
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|
| |
|
Chapmanite |
|
Ballirano P, Maras A, Marchetti F, Merlino S, Perchiazzi N |
| |
Powder Diffraction 13 (1998) 44-49 |
|
Rietveld refinement of chapmanite SbFe2Si2O8OH, |
|
a TO dioctahderal kaolinite-like mineral |
|
Locality: Tafone mine, Tucsany, Italy |
|
_database_code_amcsd 0015317 |
|
5.225 8.997 7.780 90 101.71 90 Cm |
|
atom x y z Biso |
|
Sb .423 .5 .742 3 |
|
Fe .505 .1681 .0053 3 |
|
Si .298 .167 .361 3 |
|
O1 .297 .3337 -.127 3 |
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O2 .296 0 -.130 3 |
|
O3 .223 .1705 .1469 3 |
|
OH .692 0 .145 3 |
|
O4 .073 .251 .441 3 |
|
O5 .326 0 .439 3 |
|
|
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|
| |
|
Afghanite |
|
Ballirano P, Bosi F |
| |
American Mineralogist 97 (2012) 630-640 |
|
Thermal behavior of afghanite, an ABABACAC member of the cancrinite group |
|
Locality: Case Collina, Latium, Italy |
|
_database_code_amcsd 0018843 |
|
12.7961 12.7961 21.4094 90 90 120 P31c |
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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) |
|
NaM1 .5606 .7815 .3628 .5 .0358 .0470 .0265 .0413 .0239 .0096 .0028 |
|
KM1 .5606 .7815 .3628 .5 .0358 .0470 .0265 .0413 .0239 .0096 .0028 |
|
NaM2 .0050 .4982 .4905 .58 .0332 .0569 .0236 .0295 .0281 -.0120 -.0048 |
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CaM2 .0050 .4982 .4905 .42 .0332 .0569 .0236 .0295 .0281 -.0120 -.0048 |
|
NaM3 .5191 .4883 .7407 .0394 .0295 .0335 .0352 .0008 .0003 .0023 |
|
NaM4 .7774 .5553 .6268 .085 .0541 .0301 .0380 .0962 .0186 -.0061 -.0010 |
|
CaM4 .7774 .5553 .6268 .085 .0541 .0301 .0380 .0962 .0186 -.0061 -.0010 |
|
KM4 .7774 .5553 .6268 .25 .0541 .0301 .0380 .0962 .0186 -.0061 -.0010 |
|
NaM4a .7910 .5768 .6178 .335 .0596 .0416 .1347 .0300 .0647 .0083 .0067 |
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KM4a .7910 .5768 .6178 .085 .0596 .0416 .1347 .0300 .0647 .0083 .0067 |
|
Ca1 0 0 .5021 .0140 .0131 .0131 .0157 .0065 0 0 |
|
Ca2 0 0 .7516 .0128 .0116 .0116 .0153 .0058 0 0 |
|
Ca3 1/3 2/3 .6324 .0204 .0141 .0141 .0330 .0070 0 0 |
|
Ca4 1/3 2/3 .8780 .0285 .0166 .0166 .0524 .0083 0 0 |
|
Si1 .7476 .7469 .4955 .0075 .0057 .0071 .0094 .0030 .0001 -.0012 |
|
Si2 .0766 .6618 .8695 .0079 .0093 .0073 .0067 .0040 .0001 .0000 |
|
Si3 .7488 .7443 .7449 .0067 .0062 .0079 .0076 .0039 -.0006 -.0009 |
|
Si4 .0768 .6615 .6218 .0068 .0090 .0064 .0055 .0043 .0008 .0002 |
|
Al1 -.0014 .7409 .9958 .0078 .0072 .0076 .0065 .0021 .0008 .0011 |
|
Al2 .5963 .6757 .8687 .0080 .0077 .0082 .0080 .0040 .0001 .0002 |
|
Al3 .7382 .9958 .7453 .0073 .0074 .0074 .0059 .0029 .0006 .0003 |
|
Al4 .5964 .6757 .6223 .0077 .0066 .0056 .0099 .0023 -.0002 .0001 |
|
O1 -.0095 .6612 .6764 .0154 .0163 .0140 .0086 .0022 -.0009 -.0049 |
|
O2 .6837 .6716 .6826 .0191 .0287 .0183 .0138 .0145 -.0159 -.0093 |
|
O3 .0041 .6518 .8054 .0157 .0215 .0149 .0103 .0088 -.0031 .0001 |
|
O4 .6663 .6635 .8028 .0207 .0236 .0123 .0230 .0065 .0109 .0011 |
|
O5 .7688 .8783 .7464 .0149 .0172 .0091 .0207 .0082 .0003 -.0038 |
|
O6 -.0005 .6650 .9277 .0167 .0212 .0142 .0098 .0052 .0031 -.0002 |
|
O7 .6776 .6762 .4336 .0197 .0184 .0280 .0115 .0106 -.0084 -.0131 |
|
O8 .0138 .6564 .5544 .0140 .0210 .0178 .0066 .0122 -.0034 -.0011 |
|
O9 .6593 .6685 .5520 .0213 .0258 .0128 .0202 .0060 .0110 .0032 |
|
O10 .8755 .7595 .5039 .0222 .0106 .0306 .0297 .0135 -.0017 -.0102 |
|
O11 .7749 .8851 .4962 .0185 .0213 .0063 .0256 .0052 .0023 -.0011 |
|
O12 .8819 .7636 .7518 .0182 .0125 .0224 .0253 .0128 -.0050 -.0043 |
|
O13 .0912 .5438 .6271 .0232 .0260 .0141 .0367 .0154 .0012 .0013 |
|
O14 .0881 .5423 .8776 .0211 .0290 .0110 .0289 .0141 .0019 .0014 |
|
O15 .2131 .7730 .6273 .0184 .0116 .0117 .0291 .0038 -.0004 .0014 |
|
O16 .2138 .7709 .8683 .0181 .0103 .0108 .0269 .0006 -.0011 .0028 |
|
S1 2/3 1/3 .7450 .0421 .0425 .0425 .0414 .0213 0 0 |
|
S2 1/3 2/3 .4651 .0285 .0310 .0310 .0234 .0155 0 0 |
|
S3 1/3 2/3 .0322 .0694 .0878 .0878 .0324 .0439 0 0 |
|
OS1a .4097 .7754 .2626 1/3 .0629 |
|
OS1b .4461 .7585 .2192 1/3 .0835 |
|
OS1c .4220 .6776 .2941 1/3 .0756 |
|
OS1d .3742 .7769 .1983 1/3 .0589 |
|
OS2a 1/3 2/3 .5303 .1571 .2253 .2253 .0206 .1127 0 0 |
|
OS2b .2098 .5990 .4411 .0716 .0306 .0592 .1198 .0185 -.0220 -.0134 |
|
OS3a .2320 .5780 .0714 1/3 .0769 |
|
OS3b .2140 .6200 .0443 1/3 .0541 |
|
OS3c .2779 .6387 .9771 1/3 .0984 |
|
OS3d .2064 .5980 -.0039 1/3 .1390 |
|
Cl1 0 0 .6261 .0676 .0946 .0946 .0134 .0473 0 0 |
|
Cl2 0 0 .8763 .0660 .0918 .0918 .0141 .0459 0 0 |
|
Cl3 .3000 .6436 .7532 1/3 .0712 .0963 .0721 .0245 .0265 .0188 -.0023 |
|
|
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|
| |
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