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Labuntsovite |
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Cadoni M, Ferraris G |
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European Journal of Mineralogy 19 (2007) 217-222 |
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Microporous titanosilicates - synthesis and structural characterization of |
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a new orthorhombic-type labuntsovite |
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_database_code_amcsd 0007215 |
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7.278 14.134 7.118 90 90 90 Cmmm |
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atom x y z occ Uiso |
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Na1 .2832 .2659 0 .24 .026 |
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Na2 -.2081 0 .5 .68 .057 |
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Na3 -.445 .5 0 .17 .007 |
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Ti1 .25 .25 .5 .020 |
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Si1 0 .3888 .2250 .012 |
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O1 0 .3800 0 .037 |
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O2 0 .5 .2763 .039 |
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O3 .1837 .3417 .3041 .034 |
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O4 0 .2000 .5 .017 |
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Wat1 0 0 .2710 .87 .128 |
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Wat2 0 .124 -.1760 .54 .028 |
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Wat3 .063 .1611 0 .31 .036 |
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KNa3SrSi8O19*4.3H2O |
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Cadoni M, Ferraris G |
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European Journal of Mineralogy 21 (2009) 485-493 |
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Two new members of the rhodesite mero-plesiotype series |
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close to delhayelite and hydrodelhayelite: |
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synthesis and crystal structure |
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Note: Sample TRO4 |
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Note: cell parameters, occupancy and positional parameters corrected by author |
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_database_code_amcsd 0007279 |
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6.6599 23.7225 7.0225 90 91.81 90 P2_1/m |
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atom x y z occ Uiso |
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Na1 .0170 .5058 .7423 .026 |
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Na2 .5 .5 0 .018 |
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Sr .5 .5 .5 .008 |
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K .5947 .75 .0066 .033 |
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Si1 .4775 .6833 .4975 .006 |
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Si2 .2703 .3852 .7748 .007 |
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Si3 .0865 .6168 .5114 .008 |
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Si4 .2596 .3848 .2107 .007 |
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O1 .2474 .6685 .5340 .015 |
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O2 .4963 .75 .4669 .017 |
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O3 .6182 .6663 .6783 .017 |
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O4 .5455 .6533 .3048 .015 |
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O5 .3077 .4501 .7532 .013 |
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O6 .2443 .3624 -.0084 .010 |
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O7 .0700 .3620 .6574 .012 |
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O8 .1800 .5571 .4681 .016 |
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O9 -.0288 .6173 .7142 .016 |
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O10 .3459 .4457 .2380 .020 |
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Wat1A .236 .6828 .970 .32 .039 |
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Wat1B .232 .732 .908 .17 .055 |
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Wat1C .230 .708 .946 .15 .037 |
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Wat2 .9610 .75 .2042 .037 |
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Wat3 .1954 .5616 .0485 .033 |
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KNaCa2Si8O19*5H2O |
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Cadoni M, Ferraris G |
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European Journal of Mineralogy 21 (2009) 485-493 |
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Two new members of the rhodesite mero-plesiotype series |
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close to delhayelite and hydrodelhayelite: |
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synthesis and crystal structure |
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Note: Sample TRO3 |
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_database_code_amcsd 0007280 |
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6.5850 23.776 7.0250 90 90 90 Pn2_1m |
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atom x y z occ Uiso |
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K .0575 .2525 0 .041 |
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Na .497 .0018 .237 .5 .065 |
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Ca1 .0228 -.0023 0 .016 |
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Ca2 -.0179 .0095 .5 .012 |
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Si1 .2133 .1188 .2158 .014 |
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Si2 .2123 .3888 .2217 .013 |
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Si3 .9607 .1861 .5 .006 |
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Si4 .9565 .3196 .5 .017 |
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Si5 .5744 .1119 .5 .016 |
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Si6 .5708 .3949 .5 .010 |
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O1 .0954 .0612 .2419 .019 |
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O2 .1441 .4518 .2407 .037 |
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O3 .0973 .1726 .3184 .024 |
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O4 .0599 .3424 .3070 .031 |
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O5 .261 .1366 0 .023 |
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O6 .2302 .3670 0 .006 |
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O7 .4288 .1318 .3204 .025 |
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O8 .4430 .3923 .3069 .032 |
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O9 .736 .1614 .5 .064 |
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O10 .735 .3428 .5 .023 |
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O11 .9405 .2539 .5 .030 |
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O12 .680 .4531 .5 .044 |
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O13 .657 .0514 .5 .055 |
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Wat1 .708 .0528 0 .060 |
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Wat2 .660 .4691 0 .068 |
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Wat3 .456 .2603 .207 .5 .056 |
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Wat4 .698 .3315 0 .087 |
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Wat5 .750 .1730 0 .076 |
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Penkvilksite |
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Cadoni M, Ferraris G |
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Acta Crystallographica C64 (2008) i87-i90 |
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Penkvilksite-2O: Na2TiSi4O11*2H2O |
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Locality: synthetic |
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Note: the second H could not be located |
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_database_code_amcsd 0010347 |
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16.320 8.7378 7.3854 90 90 90 Pnca |
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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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Ti 0 .5 0 .0080 .0120 .0076 .0045 .0008 -.0004 -.0005 |
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Si1 .07996 .16049 .1236 .0078 .0131 .0069 .0035 -.0007 .0001 -.0007 |
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Si2 .15690 .44096 .2605 .0078 .0112 .0090 .0032 .0000 .0000 .0001 |
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Na .0970 .6916 .6282 .0294 .045 .0103 .0324 -.0055 -.0193 .0045 |
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O1 .1583 .2605 .1991 .0112 .016 .0088 .009 .0043 -.0036 .0010 |
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O2 .0519 .0382 .2726 .0117 .016 .011 .007 .0024 .0011 .0023 |
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O3 .0097 .2794 .0611 .0116 .013 .011 .011 .0042 -.0031 .0018 |
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O4 .1146 .0513 -.0410 .0121 .019 .011 .007 .0017 .0064 -.0017 |
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O5 .1063 .5405 .1149 .0110 .018 .0075 .0078 -.0030 -.0011 .0016 |
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O6 .2500 .5000 .2702 .0130 .011 .017 .011 -.001 .000 .000 |
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O7W .1913 .6844 -.1457 .0410 .031 .056 .036 -.015 -.007 .027 |
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H .2575 .7027 -.1631 .070 |
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Wakefieldite-(Y) |
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Cadoni M, Ciriotti M E, Ferraris G |
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Rendiconti Lincei Scienze Fisiche e Naturali 22 (2011) 307-314 |
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Wakefieldite-(Y) from Montaldo di Mondovi (Italy): new data and crystal structure |
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Locality: Montaldo di Mondovi, Italy |
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_database_code_amcsd 0018527 |
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7.2591 7.2591 6.4255 90 90 90 *I4_1/amd |
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0 -.25 .125 |
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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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YA 0 .75 .125 .40 .010 .01101 .01101 .00728 0 0 0 |
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NdA 0 .75 .125 .15 .010 .01101 .01101 .00728 0 0 0 |
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CeA 0 .75 .125 .15 .010 .01101 .01101 .00728 0 0 0 |
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CaA 0 .75 .125 .15 .010 .01101 .01101 .00728 0 0 0 |
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ThA 0 .75 .125 .15 .010 .01101 .01101 .00728 0 0 0 |
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VT 0 .25 .375 .92 .009 .01044 .01044 .00539 0 0 0 |
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AsT 0 .25 .375 .08 .009 .01044 .01044 .00539 0 0 0 |
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O 0 .4312 .2048 .019 .02391 .01591 .01607 0 0 .00179 |
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View JMOL 3-D Structure
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