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Nambulite |
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Nagashima M, Armbruster T, Kolitsch U, Pettke T |
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American Mineralogist 99 (2014) 1462-1470 |
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The relation between Li <-> Na substitution and hydrogen bonding in five-periodic |
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single-chain silicates nambulite and marsturite: A single-crystal X-ray study |
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Locality: Fianel mine, Grisons, Switzerland |
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_database_code_amcsd 0020222 |
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7.5391 11.7475 6.7137 93.024 95.147 106.266 P-1 |
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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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NaM5 .6726 .1108 .3628 .275 .055 .051 .050 .058 -.001 .042 -.007 |
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LiM5 .6726 .1108 .3628 .725 .055 .051 .050 .058 -.001 .042 -.007 |
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MnM1 .59457 .65350 .06068 .00995 .0078 .0104 .0102 .00042 .00033 .00035 |
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MnM2 .81481 .94088 .12908 .01211 .0117 .0104 .0133 .00242 -.00005 -.00034 |
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MnM3 .03859 .23512 .18048 .81 .00978 .0081 .0082 .0117 .00076 -.00016 -.00025 |
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MgM3 .03859 .23512 .18048 .19 .00978 .0081 .0082 .0117 .00076 -.00016 -.00025 |
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MnM4 .24687 .51374 .26525 .90 .01218 .0087 .0118 .0131 -.00067 -.00134 -.00137 |
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CaM4 .24687 .51374 .26525 .10 .01218 .0087 .0118 .0131 -.00067 -.00134 -.00137 |
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Si1 .28019 .05957 .35765 .00960 .0087 .0073 .0108 .0002 -.0015 -.0002 |
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Si2 .47475 .32697 .42820 .00699 .0063 .0054 .0078 -.0002 -.0004 .0002 |
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Si3 .81894 .45595 .22172 .00653 .0041 .0057 .0086 -.0004 -.0002 .0012 |
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Si4 .00894 .72550 .30111 .00798 .0067 .0063 .0096 .0003 -.0007 -.0001 |
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Si5 .35105 .85360 .11409 .00694 .0048 .0071 .0082 .0012 -.0006 -.0009 |
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O1 .1991 .0096 .5608 .0149 .0146 .0150 .0123 -.0007 .0013 .0030 |
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O2 .1205 .0682 .1861 .0120 .0092 .0115 .0134 .0021 -.0039 -.0011 |
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O3 .4468 .1830 .4173 .0127 .0124 .0058 .0167 -.0008 -.0032 -.0008 |
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O4 .3288 .3497 .2544 .0093 .0074 .0097 .0101 .0017 -.0011 .0003 |
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O5 .5290 .6165 .3520 .0117 .0111 .0137 .0082 .0008 .0005 -.0021 |
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O6 .6941 .3839 .3879 .0132 .0064 .0155 .0158 -.0006 .0013 .0069 |
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O7 .9797 .3976 .1737 .0124 .0099 .0129 .0156 .0053 .0024 .0004 |
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O8 .6806 .4708 .0339 .0098 .0066 .0108 .0099 .0001 -.0025 .0004 |
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O9 .9330 .5859 .3363 .0138 .0168 .0055 .0138 -.0032 -.0056 .0008 |
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O10 .8813 .7671 .1307 .0103 .0076 .0100 .0134 .0030 -.0010 .0018 |
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O11 -.0241 .2026 .4827 .0157 .0249 .0090 .0121 .0031 .0025 -.0006 |
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O12 .2178 .7457 .2282 .0143 .0077 .0184 .0161 .0020 .0015 .0058 |
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O13 .5376 .8233 .0693 .0120 .0081 .0100 .0178 .0021 .0020 .0019 |
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O14 .7653 .1196 .0847 .0109 .0084 .0116 .0112 .0013 -.0030 .0017 |
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O15 .3996 .9728 .2753 .0137 .0120 .0107 .0167 .0036 -.0041 -.0065 |
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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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Nambulite |
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Nagashima M, Armbruster T, Kolitsch U, Pettke T |
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American Mineralogist 99 (2014) 1462-1470 |
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The relation between Li <-> Na substitution and hydrogen bonding in five-periodic |
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single-chain silicates nambulite and marsturite: A single-crystal X-ray study |
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Locality: Gozaisho mine, Iwaki, Japan |
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_database_code_amcsd 0020223 |
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7.5372 11.7267 6.7078 93.057 95.147 106.240 P-1 |
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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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NaM5 .6665 .1202 .3488 .179 .0432 .043 .058 .045 .0300 .0296 .0217 |
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LiM5 .6665 .1202 .3488 .821 .0432 .043 .058 .045 .0300 .0296 .0217 |
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MnM1 .59473 .65395 .06110 .00945 .00884 .00998 .00884 .00150 .00118 .00067 |
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MnM2 .81507 .94164 .12933 .00930 .00988 .00879 .00908 .00231 .00179 .00018 |
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MnM3 .03828 .23486 .17946 .74 .00942 .00901 .00867 .01043 .00235 .00100 .00049 |
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MgM3 .03828 .23486 .17946 .26 .00942 .00901 .00867 .01043 .00235 .00100 .00049 |
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MnM4 .24670 .51372 .26589 .95 .01148 .00960 .01167 .01110 .00033 -.00033 -.00033 |
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CaM4 .24670 .51372 .26589 .05 .01148 .00960 .01167 .01110 .00033 -.00033 -.00033 |
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Si1 .27910 .05960 .35814 .00649 .0068 .0058 .00664 .00153 .00002 .00030 |
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Si2 .47395 .32678 .42779 .00658 .0069 .0062 .0060 .00096 .00016 .00066 |
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Si3 .81858 .45512 .22094 .00666 .0060 .0066 .0073 .00151 .00075 .00131 |
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Si4 .00911 .72515 .30072 .00685 .0068 .0061 .0072 .00126 .00038 .00060 |
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Si5 .35079 .85358 .11427 .00665 .0062 .0072 .00669 .00233 .00052 .00023 |
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O1 .20002 .00859 .56108 .0117 .0128 .0125 .0080 .0006 .0016 .0017 |
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O2 .12134 .06896 .18570 .0090 .0084 .0111 .0079 .0037 .0000 .0007 |
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O3 .44631 .18254 .4172 .0105 .0111 .0061 .0128 .0006 -.0013 .0006 |
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O4 .32764 .34914 .25387 .0091 .0089 .0099 .0084 .0031 -.0005 .0011 |
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O5 .53014 .61611 .35240 .0107 .0129 .0113 .0076 .0032 .0012 -.0010 |
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O6 .69321 .38359 .3878 .0114 .0078 .0134 .0125 .0012 .0020 .0063 |
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O7 .97941 .39692 .1734 .0127 .0110 .0137 .0152 .0061 .0024 .0013 |
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O8 .67970 .46980 .0335 .0103 .0090 .0128 .0081 .0022 -.0013 .0017 |
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O9 .93241 .58563 .3368 .0126 .0151 .0061 .0130 -.0014 -.0035 .0015 |
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O10 .88200 .76755 .1304 .0096 .0085 .0106 .0102 .0037 .0002 .0020 |
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O11 -.0227 .20339 .4825 .0147 .0244 .0092 .0091 .0023 .0032 -.0008 |
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O12 .21798 .74572 .2299 .0113 .0074 .0138 .0133 .0030 .0023 .0051 |
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O13 .53802 .82382 .0706 .0097 .0079 .0087 .0132 .0033 .0028 .0005 |
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O14 .76642 .12076 .08387 .0100 .0104 .0106 .0090 .0035 -.0009 .0019 |
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O15 .39871 .97295 .2733 .0114 .0111 .0115 .0121 .0058 -.0015 -.0031 |
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H11 -.107 .1242 .494 .050 |
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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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Nambulite |
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Narita H, Koto K, Morimoto N, Yoshii M |
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Acta Crystallographica B31 (1975) 2422-2426 |
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The crystal structure of nambulite (Li,Na)Mn4Si5O14(OH) |
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_database_code_amcsd 0009545 |
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7.621 11.761 6.731 92.767 95.083 106.867 P-1 |
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atom x y z occ Biso |
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LiM5 .6751 .1432 .3681 .55 1.16 |
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NaM5 .6751 .1432 .3681 .45 1.16 |
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MnM1 .5912 .6514 .0631 .26 |
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MnM2 .8103 .9417 .1258 .28 |
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MnM3 .0407 .2354 .1759 .49 |
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MnM4 .2433 .5143 .2645 .76 |
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Si1 .2720 .0599 .3592 .91 |
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Si2 .4698 .3291 .4275 .92 |
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Si3 .8152 .4539 .2202 .87 |
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Si4 .0008 .7244 .3034 .82 |
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Si5 .3454 .8545 .1203 .94 |
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O1 .1880 .0074 .5595 1.37 |
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O2 .1194 .0699 .1845 .95 |
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O3 .4254 .1847 .4257 1.55 |
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O4 .3276 .3521 .2517 1.12 |
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O5 .5379 .6123 .3542 1.19 |
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O6 .6878 .3757 .3806 1.10 |
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O7 .9767 .3973 .1736 1.36 |
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O8 .6812 .4695 .0341 1.03 |
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O9 .9246 .5832 .3399 1.17 |
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O10 .8758 .7658 .1325 1.07 |
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O11 -.0138 .2042 .4830 1.28 |
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O12 .2109 .7451 .2357 1.36 |
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O13 .5313 .8234 .0776 1.11 |
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O14 .7675 .1196 .0748 1.15 |
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O15 .3935 .9729 .2811 1.07 |
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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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