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Cs3YSi8O19 |
| |
Kolitsch U, Wierzbicka-Wieczorek M, Tillmanns E |
| |
The Canadian Mineralogist 47 (2009) 421-431 |
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Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19 |
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Locality: synthetic |
|
_database_code_amcsd 0006289 |
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11.476 7.059 26.971 90 90 90 Pnma |
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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) |
|
Cs1 .08478 .25 .452882 .02132 .02058 .02209 .02129 .000 .00045 .000 |
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Cs2 .44859 .25 .452902 .02050 .01708 .02085 .02357 .000 -.00009 .000 |
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Cs3a -.06384 .25 .27777 .7550 .0595 .0881 .0253 .0651 .000 -.0516 .000 |
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Cs3b .0513 .25 .2318 .100 .084 .124 .0170 .111 .000 -.104 .000 |
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Cs3c -.3717 .25 .3112 .082 .141 .158 .151 .114 .000 -.025 .000 |
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Cs3d -.2447 .0362 .3026 .0314 .052 .064 .084 .008 .010 .011 .003 |
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Y .27068 .75 .444322 .00861 .00849 .00964 .00771 .000 -.00021 .000 |
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Sil .25429 .03007 .33403 .00964 .0112 .0066 .0111 .0000 -.00050 .0006 |
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Si2 .06203 .25 .79791 .00855 .0090 .0094 .0072 .000 -.0010 .000 |
|
Si3 -.05905 .25 .69138 .00923 .0085 .0108 .0084 .000 -.0017 .000 |
|
Si4 .04507 .25 .58776 .00940 .0070 .0108 .0104 .000 .0013 .000 |
|
Si5 -.24528 .03584 .43776 .00959 .0102 .0076 .0110 .0000 -.00038 -.0015 |
|
Si6 .42692 .25 .60258 .01003 .0078 .0124 .0099 .000 -.0017 .000 |
|
O1 .26638 -.0041 .39112 .0216 .0337 .0179 .0130 .0006 .0004 .0063 |
|
O2 .2499 .25 .31699 .0161 .0276 .0059 .0146 .000 -.0020 .000 |
|
O3 .13989 .0610 .80173 .0259 .0287 .0217 .0273 .0140 -.0120 -.0031 |
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O4 -.13496 .0600 .68895 .0298 .0257 .0180 .0457 -.0099 -.0181 .0049 |
|
O5 .0078 .25 .74333 .0199 .0190 .0312 .0095 .000 -.0055 .000 |
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O6 -.0393 .25 .83851 .0214 .0231 .0290 .0121 .000 .0081 .000 |
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O7 .0360 .25 .64806 .0337 .0225 .067 .0114 .000 .0050 .000 |
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O8 -.0751 .25 .55988 .0205 .0101 .0285 .0228 .000 -.0047 .000 |
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O9 -.12050 -.0642 .42692 .0256 .0157 .0195 .0415 .0069 .0016 -.0066 |
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O10 .27715 -.0326 .50513 .0183 .0303 .0138 .0108 -.0034 .0018 -.0011 |
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O11 .34430 .0633 .59686 .0210 .0212 .0211 .0209 -.0098 -.0053 -.0027 |
|
O12 -.2322 .25 .41536 .0162 .0273 .0068 .0146 .000 .0041 .000 |
|
O13 .5338 .25 .56619 .0228 .0107 .0367 .0209 .000 .0031 .000 |
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BaKYSi2O7 |
| |
Kolitsch U, Wierzbicka-Wieczorek M, Tillmanns E |
| |
The Canadian Mineralogist 47 (2009) 421-431 |
|
Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19 |
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Locality: synthetic |
|
_database_code_amcsd 0006290 |
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9.775 5.718 13.096 90 104.61 90 P2_1/n |
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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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Ba .636758 .76922 .172119 .00926 .00893 .00803 .01092 -.00069 .00267 .00081 |
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K .13201 .26406 .13885 .01916 .0088 .0149 .0337 .00003 .00517 -.00130 |
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Y .760689 .24063 .021620 .00554 .00541 .00568 .00556 -.00011 .00145 -.00013 |
|
Si1 .44792 .27157 .12132 .00521 .0051 .0052 .0051 -.00040 .00090 -.00001 |
|
Si2 .97508 .75487 .14618 .00563 .0050 .0057 .0064 -.00012 .00178 -.00045 |
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O1 .36322 .0804 .03933 .0126 .0132 .0126 .0114 -.0044 .0017 -.0041 |
|
O2 .39106 .5349 .09229 .0126 .0108 .0089 .0158 .0015 -.0008 .0024 |
|
O3 .61843 .2582 .13816 .0088 .0069 .0096 .0103 -.0001 .0026 -.0007 |
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O4 .41496 .2031 .23643 .0108 .0078 .0166 .0081 -.0037 .0021 .0008 |
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O5 .07325 .7608 .06444 .0123 .0111 .0167 .0116 .0021 .0072 .0012 |
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O6 .86372 .5381 .12693 .0110 .0109 .0078 .0146 -.0026 .0039 -.0029 |
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O7 .89240 .0007 .15120 .0091 .0103 .0072 .0102 .0021 .0033 .0005 |
|
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| |
|
KSrScSi2O7 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
The Canadian Mineralogist 48 (2010) 51-68 |
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The crystal structures of three new complex silicates of sandium |
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Locality: synthetic |
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_database_code_amcsd 0006315 |
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9.446 5.478 12.537 90 104.39 90 P2_1/n |
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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 .13142 .26608 .14338 .01761 .0088 .0135 .0305 .0000 .0048 -.0026 |
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Sr .64474 .77038 .17439 .01042 .00990 .01013 .01154 -.00065 .00326 .00098 |
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Sc .75821 .23577 .02377 .00654 .0063 .0065 .0069 .00015 .0017 -.00029 |
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Si1 .44736 .27864 .11681 .00675 .0065 .0065 .0072 -.0001 .0014 .0002 |
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Si2 .97477 .75689 .14277 .00652 .0062 .0066 .0068 .0002 .0017 -.0006 |
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O1 .3551 .0904 .02826 .0110 .0115 .0101 .0111 -.0017 .0021 -.0010 |
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O2 .3968 .5597 .09062 .0117 .0102 .0114 .0118 .0014 -.0005 .0003 |
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O3 .6233 .2530 .13902 .0098 .0072 .0141 .0084 .0007 .0026 .0009 |
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O4 .4118 .2007 .23541 .0111 .0121 .0140 .0073 -.0028 .0027 .0000 |
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O5 .0800 .7670 .05973 .0113 .0124 .0117 .0116 .0009 .0066 .0018 |
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O6 .8591 .5336 .12269 .0122 .0116 .0099 .0153 -.0022 .0038 -.0022 |
|
O7 .8884 .0098 .15242 .0090 .0102 .0087 .0085 .0028 .0032 .0002 |
|
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|
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|
NaBaScSi2O7 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
The Canadian Mineralogist 48 (2010) 51-68 |
|
The crystal structures of three new complex silicates of sandium |
|
Locality: synthetic |
|
_database_code_amcsd 0006316 |
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6.845 5.626 8.819 90 109.33 90 P2_1/m |
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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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Na .2663 .25 .99385 .0302 .0169 .0464 .0211 .0 -.0020 .0 |
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Ba .70493 .75 .536059 .00812 .00791 .00683 .00910 .0 .00210 .0 |
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Sc .70065 .25 .26630 .00465 .00506 .00420 .00463 .0 .00155 .0 |
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Si1 .94741 .25 .68026 .00502 .0046 .0048 .0056 .0 .0016 .0 |
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Si2 .63905 .25 .84265 .00498 .0051 .0050 .0049 .0 .0017 .0 |
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O1 .0806 .4860 .68648 .0150 .0146 .0153 .0131 -.0094 .0021 .0007 |
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O2 .7386 .25 .5235 .0068 .0063 .0077 .0058 .0 .0015 .0 |
|
O3 .8824 .25 .8456 .0106 .0073 .0183 .0064 .0 .0027 .0 |
|
O4 .6361 .25 .0234 .0110 .0130 .0155 .0055 .0 .0044 .0 |
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O5 .5330 .0097 .74776 .0108 .0143 .0089 .0094 -.0054 .0044 -.0028 |
|
|
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|
| |
|
RbBaScSi3O9 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
The Canadian Mineralogist 48 (2010) 51-68 |
|
The crystal structures of three new complex silicates of sandium |
|
Locality: synthetic |
|
_database_code_amcsd 0006317 |
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6.957 10.199 11.881 90 90.07 90 P2_1/n |
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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) |
|
Rb .24420 .55434 .57947 .01576 .01734 .01146 .01848 .00014 -.00102 .00057 |
|
Ba .24119 .440841 .912355 .01100 .01002 .01230 .01068 .00083 -.00011 -.00184 |
|
Sc .25646 .50412 .23416 .00641 .00762 .00526 .00634 .00011 .00010 -.00030 |
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Si1 .31093 .26411 .44195 .00632 .0072 .0060 .0057 .00052 .0004 .00038 |
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Si2 .00786 .25153 .62327 .00636 .0057 .0068 .0066 .0000 -.00001 -.0008 |
|
Si3 .43439 .25320 .68364 .00650 .0062 .0063 .0069 -.0002 -.00119 -.0005 |
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O1 .3569 .37539 .35277 .0115 .0136 .0103 .0107 .0012 .0010 .0058 |
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O2 .3489 .11341 .40971 .0094 .0116 .0073 .0093 .0007 -.0003 -.0011 |
|
O3 .0941 .28422 .49568 .0101 .0087 .0145 .0073 .0014 .0011 .0012 |
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O4 .4600 .29258 .54950 .0110 .0091 .0158 .0081 -.0034 .0006 .0001 |
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O5 -.1235 .37269 .65380 .0144 .0173 .0109 .0152 .0061 .0037 -.0005 |
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O6 -.0838 .10734 .61150 .0110 .0165 .0081 .0085 -.0039 .0022 -.0006 |
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O7 .1984 .24644 .70620 .0160 .0064 .0305 .0110 -.0018 .0003 .0051 |
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O8 .5035 .37039 .76207 .0112 .0136 .0097 .0102 -.0026 .0009 -.0036 |
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O9 .5062 .10667 .70490 .0140 .0145 .0083 .0193 .0034 -.0033 -.0004 |
|
|
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|
| |
|
SrY2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
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European Journal of Mineralogy 22 (2010) 245-258 |
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Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
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(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
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including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017778 |
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6.757 6.885 9.273 72.42 86.37 88.37 P-1 |
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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) |
|
Sr .40204 1.09633 .18129 .00803 .00836 .01022 .00671 .00034 .00009 -.00451 |
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Y1 .14049 .75395 .50868 .00539 .00665 .00544 .00376 -.00029 .00062 -.00106 |
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Y2 .15773 .26100 .80949 .00603 .00719 .00706 .00368 .00070 -.00052 -.00145 |
|
Si1 -.32710 .72724 .54106 .00477 .0055 .0059 .0031 -.0004 .0006 -.0017 |
|
Si2 -.33578 .35808 .83142 .00482 .0059 .0057 .0028 -.0008 .0001 -.0011 |
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Si3 .12082 .74399 .87301 .00546 .0073 .0060 .0036 -.0011 .0004 -.0023 |
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O1 .4686 .7914 .4625 .0092 .0064 .0114 .0089 .0004 -.0020 -.0016 |
|
O2 .1770 .3968 .5462 .0072 .0101 .0071 .0044 .0005 .0009 -.0019 |
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O3 .1810 1.1010 .4333 .0076 .0073 .0080 .0078 -.0016 -.0002 -.0029 |
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O4 .3855 1.4143 .2811 .0087 .0116 .0076 .0052 .0009 .0022 -.0002 |
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O5 .4686 .2219 .8815 .0076 .0073 .0087 .0062 -.0018 .0015 -.0015 |
|
O6 .1697 .7576 .2502 .0081 .0073 .0102 .0073 .0003 .0008 -.0039 |
|
O7 -.2599 .3853 .9877 .0112 .014 .0125 .0080 .0032 -.0058 -.0039 |
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O8 .0871 .2050 1.0522 .0097 .0090 .0143 .0070 .0010 .0017 -.0056 |
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O9 .2298 -.0463 .7819 .0113 .0128 .0078 .0122 -.0026 .0041 -.0020 |
|
O10 .1131 .6029 .7609 .0077 .0114 .0079 .0043 .0007 -.0014 -.0025 |
|
|
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|
| |
|
BaGd2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017779 |
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5.435 12.241 6.932 90 106.26 90 P2_1/m |
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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) |
|
Ba .76309 .25 .01950 .01043 .01082 .01265 .00833 .0 .00353 .0 |
|
Gd .16111 .097282 .68786 .00711 .00864 .00756 .00498 -.00145 .00171 -.00072 |
|
Si1 .5857 .25 .49058 .00606 .0053 .0089 .0041 .0 .0015 .0 |
|
Si2 .30424 .06480 .21522 .00630 .0072 .0073 .0046 .0006 .0018 .0004 |
|
O1 .3802 .25 .6184 .0084 .0087 .0069 .0106 .0 .0044 .0 |
|
O2 .8778 .25 .6341 .0072 .004 .0073 .0075 .0 -.0028 .0 |
|
O3 .5502 .1427 .3423 .0114 .0086 .0148 .0112 -.0029 .0034 -.0055 |
|
O4 .4235 -.05280 .1889 .0123 .0123 .0097 .0138 .0031 .0019 -.0009 |
|
O5 .1715 .1272 .0083 .0119 .0149 .0148 .0062 .0042 .0033 .0015 |
|
O6 .0993 .0557 .3489 .0103 .0099 .0146 .0072 -.0037 .0038 -.0027 |
|
|
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|
| |
|
BaEr2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017780 |
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5.389 12.163 6.840 90 106.47 90 P2_1/m |
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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) |
|
Ba .76044 .25 .02001 .00912 .00924 .01048 .00822 .0 .00341 .0 |
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Er .15699 .099147 .68359 .00606 .00676 .00609 .00530 -.00096 .00168 -.00052 |
|
Si1 .5821 .25 .48901 .0055 .0049 .0069 .0043 .0 .0006 .0 |
|
Si2 .30418 .06145 .21296 .00539 .0059 .0055 .0048 .0005 .0016 .0004 |
|
O1 .3664 .25 .6120 .0055 .0077 .0062 .0090 .0 .0028 .0 |
|
O2 .8764 .25 .6349 .0069 .0073 .0060 .0058 .0 -.0010 .0 |
|
O3 .5486 .1428 .3391 .0100 .0088 .0116 .0102 -.0021 .0038 -.0036 |
|
O4 .4324 -.05483 .1907 .0098 .0094 .0073 .0124 .0008 .0027 -.0011 |
|
O5 .1653 .12321 .0035 .0097 .0125 .0111 .0059 .0037 .0034 .0021 |
|
O6 .1007 .05103 .3510 .0087 .0096 .0107 .0071 -.0033 .0044 -.0021 |
|
|
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|
| |
|
BaYb2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017781 |
|
5.377 12.1172 6.790 90 106.50 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .76007 .25 .02023 .00782 .00857 .00896 .00648 .0 .00306 .0 |
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Yb .15608 .099687 .681861 .00473 .00563 .00490 .00360 -.00092 .00122 -.00038 |
|
Si1 .5806 .25 .48781 .00444 .0041 .0056 .0038 .0 .0014 .0 |
|
Si2 .30406 .05998 .21198 .00450 .0049 .0049 .0036 .0001 .0011 .0001 |
|
O1 .3693 .25 .6147 .0075 .0040 .0054 .0081 .0 .0030 .0 |
|
O2 .8767 .25 .6342 .0054 .0032 .0062 .0052 .0 -.0014 .0 |
|
O3 .5473 .14243 .3370 .0080 .0069 .0099 .0077 -.0032 .0028 -.0035 |
|
O4 .4365 -.05640 .1921 .0088 .0085 .0056 .0116 .0014 .0017 -.0012 |
|
O5 .1620 .12120 -.0012 .0089 .0111 .0114 .0042 .0045 .0021 .0015 |
|
O6 .1018 .04972 .3521 .0077 .0074 .0091 .0075 -.0026 .0036 -.0016 |
|
|
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|
| |
|
BaSc2Si3O10 |
| |
Wierzbicka-Wieczorek M, Kolitsch U, Tillmanns E |
| |
European Journal of Mineralogy 22 (2010) 245-258 |
|
Synthesis and structural study of five new trisilicates, BaREE2Si3O10 |
|
(REE = Gd, Er, Yb, Sc) and SrY2Si3O10, |
|
including a review on the geometry of the Si3O10 unit |
|
Locality: synthetic |
|
_database_code_amcsd 0017782 |
|
5.273 11.9181 6.591 90 107.06 90 P2_1/m |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .76012 .25 .02596 .00801 .00872 .00892 .00713 .0 .00345 .0 |
|
Sc .15220 .10169 .67722 .00500 .00530 .00548 .00416 -.00060 .00128 -.00031 |
|
Si1 .57325 .25 .48861 .00458 .0038 .0058 .0042 .0 .0014 .0 |
|
Si2 .30205 .05428 .20976 .00468 .0049 .0052 .0040 .00035 .00150 .00043 |
|
O1 .3466 .25 .6085 .0065 .0065 .0060 .0082 .0 .0041 .0 |
|
O2 .8764 .25 .6375 .0063 .0047 .0072 .0059 .0 -.0002 .0 |
|
O3 .5414 .14231 .3320 .0087 .0089 .0091 .0094 -.0026 .0046 -.0038 |
|
O4 .4547 -.06061 .1994 .0080 .0064 .0064 .0104 .0011 .0013 -.0007 |
|
O5 .1494 .11263 -.0135 .0089 .0105 .0105 .0056 .0033 .0022 .0013 |
|
O6 .0995 .04364 .3570 .0069 .0070 .0087 .0054 -.0020 .0026 -.0015 |
|
|
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|
| |
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