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Vicanite-(Ce) |
| |
Ballirano P, Callegari A, Caucia F, Maras A, Mazzi F, Ungaretti L |
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American Mineralogist 87 (2002) 1139-1143 |
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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 |
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CaM1 -.13188 .13188 -.31881 .249 .0096 .0092 .0092 .0087 .0033 .0007 -.0007 |
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LaM2 -.13794 .13794 .09655 .738 .0121 .0135 .0135 .0097 .0069 -.0008 .0008 |
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CaM2 -.13794 .13794 .09655 .262 .0121 .0135 .0135 .0097 .0069 -.0008 .0008 |
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CaM3 .11490 -.11490 -.09790 .992 .0149 .0158 .0158 .0156 .0097 .0018 -.0018 |
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CeM3 .11490 -.11490 -.09790 .008 .0149 .0158 .0158 .0156 .0097 .0018 -.0018 |
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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 |
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Fe 0 0 0 .823 .0064 .0070 .0070 .0051 .0035 0 0 |
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Al 0 0 0 .177 .0064 .0070 .0070 .0051 .0035 0 0 |
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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 |
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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 |
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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 |
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O6 -.3277 .0783 -.0643 .0151 .0108 .0145 .0142 .0020 -.0033 -.0010 |
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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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Okanoganite-(Y) |
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Boiocchi M, Callegari A, Ottolini L, Maras A |
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American Mineralogist 89 (2004) 1540-1545 |
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The chemistry and crystal structure of okanoganite-(Y) and |
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comparison with vicanite-(Ce) |
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Sample: Golden Horn batholith near Washington Pass, Okanogan County |
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_database_code_amcsd 0003650 |
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10.7108 10.7108 27.0398 90 90 120 R3m |
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atom x y z occ Uiso |
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Ce1 -.1304 .1304 -.3183 .72 .0102 |
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Y1 -.1304 .1304 -.3183 .28 .0102 |
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Ce2 -.1362 .1362 .1005 .75 .0124 |
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Y2 -.1362 .1362 .1005 .25 .0124 |
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Ca3 .1157 -.1157 -.0988 .59 .0184 |
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Y3 .1157 -.1157 -.0988 .41 .0184 |
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Y4 .1214 -.1214 .4681 .71 .0124 |
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Ca4 .1214 -.1214 .4681 .29 .0124 |
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Y5 .1379 -.1379 .2201 .87 .0112 |
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Th5 .1379 -.1379 .2201 .13 .0112 |
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Fe 0 0 0 .77 .0152 |
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Ti 0 0 0 .23 .0152 |
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Si1 .1694 -.1694 .0442 .0131 |
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Si2 -.1707 .1707 -.0402 .0106 |
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B1 -.0791 .0791 .2921 .0208 |
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P3 0 0 -.2123 .6 .0151 |
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Si3 0 0 -.2123 .4 .0151 |
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Na 0 0 -.4242 .0267 |
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O1 .0816 -.0816 .0469 .0169 |
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O2 .1867 -.1867 -.0141 .0172 |
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O3 .3257 -.0667 .0708 .0152 |
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O4 -.0835 .0835 -.0495 .0171 |
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O5 -.1909 .1909 .0188 .0143 |
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O6 -.3312 .0791 -.0626 .0229 |
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O7 .0770 -.0770 .3062 .0138 |
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O8 -.0957 .0957 .2388 .0125 |
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OH9 .0832 -.0832 .1453 .0202 |
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O10 0 0 -.1518 .0254 |
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O11 .1550 .0470 -.2330 .5 .0314 |
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F12 -.0897 .0897 -.4885 .0208 |
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F13 0 0 -.3390 .0199 |
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F14 .0162 .3055 -.1607 .0280 |
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OH 0 0 .4360 .0188 |
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Liottite |
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Ballirano P, Merlino S, Bonaccorsi E, Maras A |
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The Canadian Mineralogist 34 (1996) 1021-1030 |
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The crystal structure of liottite, a six-layer member of the cancrinite group |
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_database_code_amcsd 0005509 |
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12.870 12.870 16.096 90 90 120 P-6 |
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atom x y z occ Uiso |
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Si1 .9954 .7437 0 .0077 |
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Al1 .3339 .4088 .83304 .0081 |
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Si2 .67182 .08217 .66374 .0075 |
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Al2 .3364 .4097 .5 .0071 |
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Si3 .58517 .66611 .83287 .0077 |
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Al3 .7378 .7488 0 .0076 |
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Si4 .5873 .6700 .5 .0072 |
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Al4 .9282 .3431 .66345 .0079 |
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O1 .8771 .1258 0 .0250 |
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O2 .1025 .8798 0 .0207 |
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O3 .9943 .6706 .9182 .0190 |
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O4 .6631 .6698 .9119 .0203 |
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O5 .2179 .7886 .8253 .0209 |
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O6 .4501 .5552 .8386 .0209 |
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O7 .3463 .3310 .7491 .0179 |
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O8 .6574 .6560 .7543 .0193 |
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O9 .5464 .4367 .6545 .0170 |
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O10 .7933 .2105 .6632 .0266 |
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O11 .6772 .0062 .5856 .0179 |
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O12 .6659 .6735 .5794 .0177 |
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O13 .2173 .7836 .5 .0197 |
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O14 .4540 .5557 .5 .0148 |
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Ca1 1/3 2/3 .5 .0162 |
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Ca2 1/3 2/3 .8330 .0172 |
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Ca3 0 0 .9783 .5 .0219 |
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Ca4 2/3 1/3 .3915 .5 .0191 |
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Ca5 2/3 1/3 .3436 .5 .0294 |
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K1 .8463 .1651 .5 .0170 |
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K1a .857 .143 .5 .0170 |
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K2 .1125 .8864 .6651 .0392 |
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K2a .145 .851 .675 .0392 |
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K3 .8364 .1722 .8313 .0248 |
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K3a .816 .191 .847 .0248 |
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K4 .5543 .4458 0 .0338 |
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F .7476 .2700 .5 .167 .0256 |
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Cl1 1/3 2/3 0 .0732 |
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Cl2 2/3 1/3 .5 .5 .1608 |
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Cl3 1/3 2/3 .3335 .0742 |
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S1 0 0 .7971 .5 .0172 |
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S1' .977 .013 .7874 .167 .0338 |
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S2 .0357 .017 .5 1/3 .0348 |
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S3 2/3 1/3 .8568 .0410 |
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OS1a 0 0 .886 .5 .1005 |
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OS1b .1213 .0582 .7676 2/3 .0738 |
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OS1c .056 .094 .723 1/6 .1154 |
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OS1d .119 .054 .845 1/3 .0864 |
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OS2a .119 .058 .426 1/3 .0649 |
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OS2b .110 .051 .479 1/3 .1349 |
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OS3a 2/3 1/3 .2409 .5 .0350 |
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OS3b .7285 .4595 .8789 2/3 .0366 |
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OS3c .692 .298 .211 1/6 .0931 |
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OS3d .728 .288 .913 1/3 .1281 |
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Franzinite |
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Ballirano P, Bonaccorsi E, Maras A, Merlino S |
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The Canadian Mineralogist 38 (2000) 657-668 |
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The crystal structure of franzinite, the ten-layer mineral of |
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the cancrinite group |
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_database_code_amcsd 0005652 |
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12.916 12.916 26.543 90 90 120 P321 |
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atom x y z occ Uiso |
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Si1 .5834 .6684 .9018 .0158 |
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Al1 .4190 .3332 .0978 .0135 |
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Al2 .5866 .6658 .1963 .019 |
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Si2 .4158 .3323 .8038 .0121 |
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Al3 .5927 .6770 .6028 .0120 |
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Si3 .4162 .3365 .3964 .0139 |
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Al4 .7511 .7511 0 .018 |
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Si4 .2472 .2472 0 .013 |
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Si5 .7486 .7495 .2976 .0131 |
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Al5 .2540 .2515 .7026 .015 |
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Si6 .7485 .7485 .5 .014 |
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Al6 .2544 .2544 .5 .012 |
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O1 .4462 .218 .1051 .065 |
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O2 .875 .7478 .2876 .028 |
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O3 .2425 .1159 .5098 .025 |
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O4 .322 .0005 .3468 .028 |
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O5 .671 .002 .6482 .025 |
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O6 .659 .6760 .5470 .022 |
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O7 .353 .3302 .4504 .022 |
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O8 .669 .650 .1495 .049 |
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O9 .348 .351 .8495 .060 |
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O10 .4501 .2340 .3901 .022 |
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O11 .666 .686 .9481 .072 |
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O12 .327 .307 .0468 .084 |
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O13 .442 .549 .1995 .035 |
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O14 .541 .0786 .3940 .026 |
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O15 .656 .673 .2534 .027 |
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O16 .344 .320 .7537 .053 |
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O17 .888 .7821 .6994 .030 |
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O18 .4275 .220 .8161 .037 |
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O19 .9157 .454 .0863 .065 |
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O20 .120 .233 .0106 .074 |
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S1 .373 .676 .0546 1/3 .064 |
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S2 .343 .706 .7415 1/3 .078 |
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S3 .025 .023 .1561 1/3 .080 |
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S4 1/3 2/3 .3199 .0293 |
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S5 1/3 2/3 .4884 .0241 |
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Wat .009 .039 .604 .11 |
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KA1 2/3 1/3 .8189 .0370 |
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NaA2 0 0 .490 .5 .20 |
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NaA3 0 0 .7218 .19 .034 |
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KA3 0 0 .7218 .17 .034 |
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NaA3a 0 0 .7477 .10 .034 |
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KA3a 0 0 .7477 .08 .034 |
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NaA3b 0 0 .7009 .12 .034 |
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KA3b 0 0 .7009 .10 .034 |
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NaA4 0 0 .0318 .24 .060 |
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KA4 0 0 .0318 .03 .060 |
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NaA4a 0 0 0 .06 .060 |
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KA4a 0 0 0 .01 .060 |
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KA5 2/3 1/3 .3733 .0276 |
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NaA6 2/3 1/3 .0635 .31 .051 |
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KA6 2/3 1/3 .0635 .06 .051 |
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NaA6a 2/3 1/3 .1339 .21 .051 |
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KA6a 2/3 1/3 .1339 .04 .051 |
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NaM1 .503 .503 0 .28 .047 |
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KM1 .503 .503 0 .14 .047 |
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NaM1a .450 .544 .0150 .09 .047 |
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KM1a .450 .544 .0150 .05 .047 |
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KM2 .7815 .5649 .5960 .74 .0289 |
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NaM2 .7815 .5649 .5960 .17 .0289 |
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NaM3 .4909 .5140 .3017 .50 .0396 |
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KM3 .4909 .5140 .3017 .16 .0396 |
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KM4 .5015 .5015 .5 .47 .0284 |
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NaM4 .5015 .5015 .5 .34 .0284 |
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NaM5 .849 .6967 .8973 .21 .041 |
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KM5 .849 .6967 .8973 .08 .041 |
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NaM5a .806 .586 .9164 .09 .041 |
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KM5a .806 .586 .9164 .03 .041 |
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NaM5b .873 .760 .8870 .11 .041 |
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KM5b .873 .760 .8870 .04 .041 |
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NaM5c .829 .650 .903 .08 .041 |
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KM5c .829 .650 .903 .03 .041 |
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NaM6 .834 .6655 .2001 .20 .034 |
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KM6 .834 .6655 .2001 .13 .034 |
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NaM6a .772 .556 .2169 .09 .034 |
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KM6a .772 .556 .2169 .06 .034 |
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NaM6b .873 .726 .1849 .08 .034 |
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KM6b .873 .726 .1849 .05 .034 |
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NaM6c .795 .605 .2139 .07 .034 |
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KM6c .795 .605 .2139 .05 .034 |
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OS1a .617 .32 .9054 .12 |
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OS1b .375 .603 .0207 .16 |
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OS1c .488 .736 .076 .16 |
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OS2a .401 .786 .7078 .10 |
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OS2b .730 .470 .225 .07 |
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OS2c .728 .399 .229 .12 |
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OS3a .046 .126 .131 .08 |
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OS3b .113 .078 .184 .18 |
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OS3c .045 .042 .113 .13 |
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OS4a 1/3 2/3 .2650 .093 |
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OS4b .396 .789 .3390 .053 |
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OS5a 1/3 2/3 .5433 .058 |
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OS5b .397 .791 .4698 .042 |
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|
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|
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Afghanite |
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Ballirano P, Bonaccorsi E, Maras A, Merlino S |
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European Journal of Mineralogy 9 (1997) 21-30 |
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Crystal structure of afghanite, the eight-layer member |
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of the cancrinite-group: evidence for long-range Si,Al ordering |
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_database_code_amcsd 0006636 |
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12.8013 12.8013 21.4119 90 90 120 P31c |
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atom x y z occ Uiso |
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Si1 .2530 .0000 .4950 .0049 |
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Al1 .7412 .0000 .9952 .0117 |
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Si2 .9234 .5849 .3687 .0091 |
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Al2 .0784 .4032 .8684 .0088 |
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Si3 .0056 .2570 .2445 .0091 |
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Al3 .0040 .7424 .7450 .0057 |
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Si4 .9232 .5851 .1217 .0075 |
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Al4 .0783 .4035 .6220 .0070 |
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O1 .342 .333 .6773 .0254 |
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O2 .669 .680 .1820 .0194 |
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O3 .348 .345 .8062 .0161 |
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O4 .663 .668 .3020 .0194 |
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O5 .122 .887 .7462 .0147 |
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O6 .336 .335 .4281 .0266 |
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O7 .674 .677 .9335 .0214 |
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O8 .3516 .3424 .0554 .0153 |
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O9 .658 .669 .5508 .0220 |
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O10 .121 .883 .0028 .0310 |
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O11 .117 .887 .4947 .0217 |
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O12 .118 .884 .2491 .0223 |
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O13 .4580 .5465 .6257 .0293 |
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O14 .4562 .5482 .8750 .0202 |
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O15 .2113 .7732 .6264 .0208 |
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O16 .2128 .7715 .8660 .0188 |
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Ca1 0 0 0 .0175 |
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Ca2 0 0 .2500 .0163 |
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Ca3 1/3 2/3 .6296 .90 .0131 |
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Ca3a 1/3 2/3 .660 .10 .0131 |
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Ca4 1/3 2/3 .8791 .90 .0147 |
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Ca4a 1/3 2/3 .853 .10 .0147 |
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Cl1 0 0 .1237 .0701 |
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Cl2 0 0 .3739 .0796 |
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Cl3 1/3 2/3 .7527 .90 .1157 |
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F .4018 .5995 .7452 .0334 .0500 |
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K1 .4432 .2235 .8651 .17 .0387 |
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Ca1 .4432 .2235 .8651 .06 .0387 |
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Na1 .4432 .2235 .8651 .27 .0387 |
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K1a .386 .199 .860 .17 .0387 |
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Ca1a .386 .199 .860 .06 .0387 |
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Na1a .386 .199 .860 .27 .0387 |
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K2 .5054 .5014 .9912 .305 .0377 |
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Ca2 .5054 .5014 .9912 .145 .0377 |
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Na2 .5054 .5014 .9912 .55 .0377 |
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K3 .5211 .4845 .7412 .015 .0399 |
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Ca3 .5211 .4845 .7412 .008 .0399 |
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Na3 .5211 .4845 .7412 .97 .0399 |
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K4 .423 .210 .6238 .0666 .0341 |
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Ca4 .423 .210 .6238 .0303 .0341 |
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Na4 .423 .210 .6238 .41 .0341 |
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K4a .456 .236 .6163 .06 .0341 |
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Ca4a .456 .236 .6163 .03 .0341 |
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Na4a .456 .236 .6163 .41 .0341 |
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S1 1/3 2/3 .2475 .0429 |
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S2 1/3 2/3 .4625 .0445 |
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S3 1/3 2/3 .0301 .0532 |
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OS1a .444 .744 .278 1/3 .0920 |
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OS1b .400 .619 .208 1/3 .1173 |
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OS1c .40 .64 .296 1/3 .1387 |
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OS1d .432 .762 .214 1/3 .1895 |
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OS2a 1/3 2/3 .5231 .1252 |
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OS2b .211 .608 .442 .0875 |
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OS3a .206 .587 .073 1/3 .1621 |
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OS3b .215 .608 .042 2/3 .1251 |
|
OS3c .265 .635 .970 1/3 .1596 |
|
|
| Download AMC data (View Text File)
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|
| |
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Bassanite |
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Ballirano P, Maras A, Meloni S, Caminiti R |
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European Journal of Mineralogy 13 (2001) 985-993 |
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The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate |
|
_database_code_amcsd 0006909 |
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12.0350 6.9294 12.6705 90 90.266 90 I2 |
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atom x y z Biso |
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Ca1 0 .5 0 .91 |
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Ca2 .5 .011 0 .91 |
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Ca3 .2380 .199 .1677 .91 |
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Ca4 .2217 .165 .6648 .91 |
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S1 -.0016 .499 .2493 .75 |
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S2 .2247 .164 .9183 .75 |
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S3 .2282 .185 .4146 .75 |
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O1 .127 .211 .984 .90 |
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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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|
| Download AMC data (View Text File)
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|
| |
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Cancrinite |
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Ballirano P, Maras A |
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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 |
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_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 |
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Si .91733 .58917 .25081 .00850 .00816 .00943 .00829 .00469 .00018 .00043 |
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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 |
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O2 .88515 .44900 .2757 .0196 .0221 .0125 .0271 .0108 .0026 .0012 |
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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 |
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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 |
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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 |
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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 |
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Wat .6872 .3869 .814 1/3 .058 .0745 .0740 .0309 .0414 .0016 -.0026 |
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Sodalite |
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Ballirano P, Maras A |
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European Journal of Mineralogy 17 (2005) 805-812 |
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Crystal chemical and structural characterization of an |
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unusual CO3-bearing sodalite-group mineral |
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Locality: Mt. Vesuvio, Italy |
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_database_code_amcsd 0007133 |
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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) |
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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 |
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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 |
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O2c .379 .346 .435 .032 .05 |
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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 |
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Refinement of the crystal structure of arsenolite, As2O3 |
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Locality: starting material (realgar) from Monte Sughereto, Latium, Italy |
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_database_code_amcsd 0011094 |
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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) |
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As .77221 .77221 .77221 .0169 .0169 .0169 .0003 .0003 .0003 |
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O .9524 .125 .125 .027 .020 .020 0 0 .010 |
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Asbecasite |
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Sacerdoti M, Parodi G C, Mottana A, Maras A, Ventura G D |
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Mineralogical Magazine 57 (1993) 315-322 |
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Asbecasite: crystal structure refinement and crystal chemistry |
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_database_code_amcsd 0014499 |
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8.318 8.318 15.264 90 90 120 P-3c1 |
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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 .5921 .5921 .75 .0083 .0076 .0076 .0095 .0036 -.0005 .0005 |
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As .0187 .2950 .1027 .0089 .0078 .0073 .0100 .0026 -.0006 .0001 |
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Ti 0 0 .25 .0072 .0061 .0061 .0094 .0031 0 0 |
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Si 2/3 1/3 .0729 .0085 .0079 .0079 .0096 .0039 0 0 |
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Be 1/3 2/3 .1309 .0091 .0069 .0069 .0135 .0034 0 0 |
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O1 .8933 .7785 .1754 .0117 .0107 .0103 .0149 .0058 -.0026 -.0024 |
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O2 .5362 .7217 .1743 .0099 .0089 .0110 .0114 .0061 -.0019 -.0029 |
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O3 .5980 .4693 .1161 .0126 .0117 .0074 .0183 .0044 .0019 -.0012 |
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O4 1/3 2/3 .0297 .0174 .0210 .0210 .0102 .0105 0 0 |
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Chapmanite |
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Ballirano P, Maras A, Marchetti F, Merlino S, Perchiazzi N |
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Powder Diffraction 13 (1998) 44-49 |
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Rietveld refinement of chapmanite SbFe2Si2O8OH, |
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a TO dioctahderal kaolinite-like mineral |
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Locality: Tafone mine, Tucsany, Italy |
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_database_code_amcsd 0015317 |
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5.225 8.997 7.780 90 101.71 90 Cm |
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atom x y z Biso |
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Sb .423 .5 .742 3 |
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Fe .505 .1681 .0053 3 |
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Si .298 .167 .361 3 |
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O1 .297 .3337 -.127 3 |
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O2 .296 0 -.130 3 |
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O3 .223 .1705 .1469 3 |
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OH .692 0 .145 3 |
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O4 .073 .251 .441 3 |
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O5 .326 0 .439 3 |
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