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Strontioginorite |
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Konnert J A, Clark J R, Christ C L |
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American Mineralogist 55 (1970) 1911-1931 |
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Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O |
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_database_code_amcsd 0000214 |
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12.817 14.448 12.783 90 101.42 90 P2_1/a |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sr .6178 .1711 .7364 .00265 .00120 .00201 .00008 .00122 .00013 |
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Ca .1264 .2187 .2463 .0015 .0007 .0013 -.0002 .0008 .0000 |
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B1 .3903 .2010 -.1236 .7 |
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B2 .4334 .3031 .0504 1.0 |
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B3 .2622 .1961 .0125 .8 |
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B4 .5752 .2551 -.0426 .7 |
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B5 .3410 .2573 .1920 .8 |
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B6 .3046 .0571 -.0796 1.1 |
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B7 .3902 .3189 .3781 .7 |
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B8 .4223 .2021 .5384 .9 |
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B9 .2549 .3110 .5049 .8 |
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B10 .5704 .2546 .4567 .8 |
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B11 .3364 .2530 .6868 .5 |
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B12 .2922 .4571 .4152 .8 |
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B13 .4099 .0668 .4092 .9 |
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B14 .5247 .0623 .2736 .9 |
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O1 .3667 .2306 -.0165 .6 |
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O2 .4324 .2890 .1635 1.0 |
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O3 .2627 .2156 .1239 1.0 |
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O4 .2574 .0967 -.0046 1.2 |
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O5 .3645 .1038 -.1369 1.1 |
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O6 .5032 .2121 -.1213 1.0 |
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O7 .5443 .2942 .0439 1.2 |
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OH8 .2923 -.0375 -.1003 2.1 |
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OH9 .3876 .3922 .0146 1.7 |
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O10 .1774 .2449 -.0557 1.2 |
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O11 .3221 .2682 .2933 .9 |
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O12 .3628 .2839 .4816 .5 |
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O13 .4122 .2040 .6507 .9 |
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O14 .2589 .3007 .6183 .9 |
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O15 .2349 .4071 .4757 .9 |
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O16 .3680 .4175 .3694 1.0 |
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O17 .5030 .3049 .3809 .8 |
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O18 .5358 .2136 .5399 .9 |
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OH19 .2707 .5488 .3972 1.9 |
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O20 .3810 .1160 .4898 1.0 |
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OH21 .3730 -.0219 .3899 1.5 |
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O22 .4742 .1041 .3465 1.3 |
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OH23 .5046 -.0264 .2415 1.8 |
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OH24 .5952 .1170 .2329 1.5 |
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O25 .1729 .2518 .4419 .9 |
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O26 .3285 .2568 .7919 1.0 |
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Wat1 .1096 .1489 .7207 2.3 |
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Wat2 .1537 .0614 .2715 2.6 |
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Wat3 .2367 .4502 .8493 2.1 |
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Wat4 .0167 .0384 .8661 2.8 |
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Wat5 .0509 -.0246 .4008 2.8 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Strontioginorite |
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Grice J D |
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The Canadian Mineralogist 43 (2005) 1019-1026 |
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Strontioginorite: crystal-structure analysis and hydrogen bonding |
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Sample: Penobsquis, Kings County, New Brunswick, Canada |
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_database_code_amcsd 0006023 |
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12.8171 14.4576 12.8008 90 101.327 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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Sr .61773 .17104 .73631 .01266 .01255 .01385 .01270 .00081 .00518 .00090 |
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Ca .12691 .21922 .24657 .01271 .0116 .0145 .012 .00047 .00323 -.00020 |
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B1 .3906 .2019 -.1234 .0116 .0103 .0156 .0097 -.0007 .0034 -.0020 |
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B2 .4329 .3028 .0508 .0122 .0108 .0158 .0106 -.0015 .0033 -.0014 |
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B3 .2632 .1964 .0125 .012 .0099 .0156 .0102 -.0011 .0034 -.0016 |
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B4 .5752 .2547 -.0426 .0134 .0113 .0177 .0116 -.0002 .0028 -.0001 |
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B5 .3425 .2579 .1940 .0128 .0117 .0161 .0110 .0007 .0030 -.0004 |
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B6 .3041 .0563 -.0793 .0176 .0180 .0169 .0196 -.0018 .0080 -.0030 |
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B7 .3909 .3198 .3790 .0110 .0103 .0136 .0092 .0005 .0027 .0003 |
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B8 .4231 .2027 .5392 .0112 .0108 .0127 .0107 .0000 .0035 -.0002 |
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B9 .2553 .3107 .5049 .0108 .0091 .0134 .0106 .0004 .0032 -.0002 |
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B10 .5702 .2545 .4567 .0113 .0100 .0128 .0114 -.0002 .0024 -.0013 |
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B11 .3357 .2527 .6870 .0116 .0100 .0142 .0108 -.0013 .0027 -.0006 |
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B12 .2918 .4570 .4154 .0154 .0162 .0146 .0168 .0013 .0063 .0019 |
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B13 .4098 .0662 .4099 .0143 .0162 .0130 .0148 .0006 .0054 -.0007 |
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B14 .5245 .0623 .2736 .0159 .0171 .0148 .0172 .0004 .0068 -.0011 |
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O1 .36670 .23073 -.01619 .0112 .0094 .0149 .0096 -.0016 .0031 -.0021 |
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O2 .43256 .28843 .16350 .0165 .0130 .0273 .0098 -.0054 .0037 -.0028 |
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O3 .26259 .21563 .12386 .0150 .0128 .0258 .0102 -.0040 .0044 -.0036 |
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O4 .25822 .09641 -.00390 .0189 .0224 .0153 .0228 -.0039 .0134 -.0040 |
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O5 .36394 .10376 -.13751 .0170 .0211 .0150 .0176 -.0033 .0106 -.0038 |
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O6 .50382 .21244 -.12115 .0149 .0096 .0231 .0125 -.0018 .0034 -.0036 |
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O7 .54432 .29426 .04367 .0170 .0105 .0266 .0150 -.0032 .0050 -.0070 |
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Oh8 .2939 -.03712 -.1001 .0324 .0475 .0165 .0433 -.0104 .0331 -.0097 |
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Oh9 .38786 .39242 .01462 .0226 .0253 .0149 .0249 .0014 -.0014 -.0012 |
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O10 .17728 .24475 -.05638 .0171 .0098 .0282 .0138 .0014 .0036 .0043 |
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O11 .32221 .26825 .29316 .0140 .0111 .0217 .0097 -.0021 .0030 -.0025 |
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O12 .36268 .28403 .48183 .0102 .0085 .0131 .0096 .0010 .0032 .0011 |
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O13 .41210 .20398 .65046 .0129 .0138 .0155 .0104 .0024 .0050 .0013 |
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O14 .25872 .30099 .61876 .0136 .0118 .0201 .0096 .0029 .0034 .0012 |
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O15 .23477 .40711 .47531 .0144 .0141 .0130 .0179 .0022 .0074 .0017 |
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O16 .36793 .41761 .36912 .0157 .0170 .0138 .0182 .0033 .0084 .0033 |
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O17 .50387 .30540 .38105 .0124 .0090 .0165 .0120 .0007 .0030 .0019 |
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O18 .53563 .21339 .53912 .0127 .0098 .0165 .0124 .0010 .0038 .0024 |
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Oh19 .2709 .5492 .3968 .0285 .0353 .0153 .0426 .0088 .0265 .0092 |
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O20 .38137 .11539 .49021 .0149 .0161 .0139 .0165 -.0021 .0074 -.0028 |
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Oh21 .37338 -.02187 .38927 .0218 .0314 .0154 .0231 -.0072 .0165 -.0053 |
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O22 .47503 .10394 .34641 .0192 .0254 .0137 .0226 -.0034 .0152 -.0036 |
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Oh23 .5035 -.02604 .2416 .0270 .0324 .0156 .0407 -.0065 .0260 -.0095 |
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Oh24 .59516 .11733 .23334 .0220 .0278 .0168 .0264 -.0056 .0179 -.0045 |
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O25 .17299 .25171 .44172 .0130 .0093 .0169 .0133 -.0014 .0035 -.0022 |
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O26 .32821 .25721 .79196 .0149 .0141 .0218 .0095 .0035 .0037 .0008 |
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Ow27 .1091 .1503 .7210 .0305 .0364 .0248 .0320 .0029 .0110 -.0023 |
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Ow28 .1546 .0621 .2712 .0355 .0446 .0242 .0431 .0096 .0218 .0065 |
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Ow29 .2366 .45021 .84915 .0266 .0282 .0267 .0231 .0037 .0009 -.0003 |
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Ow30 .0184 .0384 .8665 .0352 .0398 .0318 .0341 .0028 .0075 .0007 |
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Ow31 .0519 -.0244 .4009 .0363 .0318 .0352 .0432 .0090 .0107 .0071 |
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H8 .256 -.059 -.071 .05 |
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H9 .415 .432 .056 .05 |
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H19 .230 .565 .430 .05 |
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H21 .338 -.038 .432 .05 |
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H23 .551 -.045 .208 .05 |
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H24 .619 .090 .198 .05 |
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H27A .088 .148 .685 .05 |
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H27B .123 .136 .774 .05 |
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H28A .135 .037 .319 .05 |
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H28B .208 .024 .262 .05 |
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H29A .284 .422 .897 .05 |
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H29B .218 .494 .883 .05 |
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H30A -.030 .012 .815 .05 |
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H30B -.025 .065 .908 .05 |
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H31A .022 -.079 .381 .05 |
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H31B -.006 .015 .392 .05 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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