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Tiragalloite |
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Gramaccioli C M, Pilati T, Liborio G |
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Acta Crystallographica B35 (1979) 2287-2291 |
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Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: |
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The presence of a new tetrapolyphosphate-like anion |
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Locality: Molinello, near Chiavari, Liguria, |
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Note: Displacement parameters taken from ICSD |
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_database_code_amcsd 0009690 |
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6.66 19.92 7.67 90 95.7 90 P2_1/n |
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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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Mn1 .25844 .64836 -.14601 .00172 .00020 .00443 .00014 -.00023 .00003 |
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Mn2 -.45780 .58376 .54669 .00139 .00023 .00431 -.00003 .00036 -.00005 |
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Mn3 .76253 .50915 .24515 .00239 .00037 .00457 -.00040 .00010 -.00037 |
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Mn4 .05246 .74596 .13942 .00204 .00026 .00506 .00008 .00006 -.00015 |
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As .43066 .30163 -.21252 .00334 .00044 .00538 -.00005 .00017 .00006 |
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Si1 .23118 .36790 .08072 .00292 .00028 .00554 .00008 .00041 -.00022 |
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Si2 .26741 .52059 .16158 .00276 .00029 .00524 .00001 -.00014 .00001 |
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Si3 .04814 .59788 .44013 .00283 .00039 .00521 .00005 -.00009 .00005 |
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O1 .27074 .23802 -.18296 .0044 .00046 .00671 -.00021 .00078 -.00006 |
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O2 .45977 .31980 -.42138 .0092 .00047 .00579 .00022 .00162 .00013 |
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O3 .64941 .28926 -.09053 .0030 .00098 .00687 .00052 -.00087 -.00026 |
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O4 .31652 .36999 -.12036 .0035 .00045 .00538 -.00029 .00063 -.00004 |
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O5 .03333 .32369 .07199 .0060 .00033 .00577 -.00053 .00029 -.00037 |
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O6 .41456 .34321 .21941 .0040 .00039 .00533 -.00023 .00070 .00034 |
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O7 .17699 .44584 .11549 .0023 .00019 .0092 -.00003 -.00013 -.00045 |
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O8 .30120 .55324 -.02563 .0049 .00052 .00438 .00022 -.00045 .00025 |
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O9 .45704 .51577 .30760 .0036 .00029 .00533 .00014 -.00028 .00025 |
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O10 .08685 .55831 .25473 .0030 .00063 .00481 .00061 -.00041 .00021 |
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O11 .04933 .67785 .38415 .0068 .00026 .00821 -.00056 -.00105 .00008 |
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O12 .22133 .58601 .60057 .0026 .00048 .00583 -.00029 -.00032 .00007 |
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O13 -.16437 .56880 .47657 .0049 .00059 .00598 -.00037 .00055 -.00022 |
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H .14 .71 .45 3 |
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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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Tiragalloite |
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Nagashima M, Armbruster T |
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Mineralogical Magazine 74 (2010) 55-71 |
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Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 |
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tetrahedra in silicates |
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Locality: Gambatesa mine, Val Graveglia, Liguria, Italy |
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_database_code_amcsd 0019902 |
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6.6783 19.9075 7.5750 90 95.475 90 P2_1/n |
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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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Mn1 .25888 .64825 -.14680 .00929 .0104 .0083 .0092 .00102 .00141 .00069 |
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Mn2 -.45780 .58405 .54562 .00894 .0084 .0087 .0099 .00024 .00198 -.00033 |
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Mn3 .76249 .50952 .24390 .938 .01063 .0105 .0115 .0100 -.00254 .00132 -.00320 |
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Ca3 .76249 .50952 .24390 .062 .01063 .0105 .0115 .0100 -.00254 .00132 -.00320 |
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Mn4 .05119 .74619 .13817 .01148 .0114 .0100 .0131 -.00006 .00120 -.00246 |
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SiT1 .23096 .36814 .08013 .00682 .0073 .0059 .0072 -.0002 .0004 -.0002 |
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SiT2 .26756 .52089 .16161 .00635 .0071 .0060 .0060 .0007 .0004 -.0002 |
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SiT3 .04853 .59791 .44118 .00664 .0064 .0068 .0068 .0003 .0003 -.0001 |
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AsT4 .42991 .301643 -.21229 .700 .00689 .00788 .00689 .0060 .00001 .00103 .00001 |
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SiT4 .42991 .301643 -.21229 .220 .00689 .00788 .00689 .0060 .00001 .00103 .00001 |
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VT4 .42991 .301643 -.21229 .08 .00689 .00788 .00689 .0060 .00001 .00103 .00001 |
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O1 .2698 .23819 -.1842 .0108 .0117 .0081 .0131 -.0024 .0037 .0005 |
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O2 .4629 .31992 -.4189 .0127 .0204 .0098 .0084 .0017 .0041 .0011 |
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O3 .6466 .28808 -.0897 .0160 .0108 .0230 .0137 .0065 -.0014 -.0022 |
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O4 .3176 .36971 -.1209 .0104 .0132 .0112 .0071 -.0001 .0019 -.0009 |
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O5 .0307 .32440 .0719 .0107 .0099 .0085 .0139 -.0023 .0030 -.0013 |
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O6 .4144 .34328 .2202 .0106 .0113 .0125 .0080 .0010 .0014 .0005 |
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O7 .1774 .44612 .1148 .0116 .0117 .0078 .0147 .0006 -.0019 -.0041 |
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O8 .3024 .55379 -.0251 .0108 .0142 .0105 .0078 -.0010 .0011 .0021 |
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O9 .4587 .51549 .3078 .0090 .0080 .0108 .0079 .0007 -.0007 .0005 |
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O10 .0869 .55892 .2551 .0104 .0110 .0125 .0079 .0033 .0016 -.0033 |
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O11 .0516 .67846 .3860 .0138 .0204 .0068 .0136 -.0018 -.0006 .0013 |
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O12 .2224 .58598 .6022 .0090 .0091 .0101 .0075 .0006 .0001 .0004 |
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O13 -.1667 .56929 .4777 .0099 .0079 .0117 .0104 -.0010 .0025 -.0017 |
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H11 .110 .705 .487 .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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