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Spurrite |
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Grice J D |
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The Canadian Mineralogist 43 (2005) 1489-1500 |
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The structure of spurrite, tilleyite and scawtite, |
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and relationships to other silicate-carbonate minerals |
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Locality: Cornet Hill, Apuseni Mountains, Romania |
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_database_code_amcsd 0006059 |
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10.484 6.712 14.156 90 101.27 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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Ca1 .14005 .66295 .07182 .0101 .0090 .0065 .0140 .0001 -.0001 -.0014 |
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Ca2 .03225 .24170 .61152 .0114 .0109 .0121 .0107 -.0050 .0006 .0004 |
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Ca3 .23999 .05991 .45584 .0092 .0058 .0060 .0159 .0001 .0021 .0002 |
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Ca4 .04556 .99104 .83065 .0086 .0068 .0067 .0119 .0009 .0009 -.0002 |
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Ca5 .13164 .50700 .82619 .0084 .0069 .0063 .0116 .0005 .0011 -.0005 |
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Si1 .13420 .2241 .05667 .0065 .0047 .0044 .0100 -.000 .0005 .0001 |
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Si2 .02636 .7494 .60459 .0062 .0049 .0043 .0092 .0003 .0005 -.0000 |
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C .1891 .6990 .2804 .0090 .007 .007 .013 -.0013 .0014 .0002 |
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O1 .1235 .24165 .9404 .0107 .0133 .0078 .0111 -.0005 .0022 .0001 |
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O2 .1401 .9973 .0970 .0097 .0093 .0059 .0141 -.0000 .0031 .0010 |
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O3 .0079 .3372 .0836 .0111 .0093 .0094 .0152 .0027 .0035 -.0008 |
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O4 .2671 .3326 .1078 .0142 .0079 .0118 .0208 -.0043 -.0019 .0007 |
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O5 .8843 .1530 .4662 .0106 .0068 .0108 .0143 -.0002 .0024 .0031 |
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O6 .8907 .4305 .3346 .0105 .0102 .0074 .0132 .0017 .0008 .0028 |
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O7 .0227 .0774 .3300 .0109 .0111 .0074 .0142 .0012 .0025 -.0024 |
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O8 .1006 .3383 .4690 .0101 .0067 .0102 .0130 -.0011 .0010 -.0020 |
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O9 .2858 .6966 .2354 .0111 .0082 .0104 .0149 -.0001 .0030 -.0002 |
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O10 .0713 .6899 .2304 .0113 .0062 .0110 .0154 -.0003 -.0012 .0005 |
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O11 .2088 .7183 .3710 .0135 .0141 .0137 .0127 .0002 .0023 -.0006 |
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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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Spurrite |
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Smith J V, Karle I L, Hauptman H, Karle J |
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Acta Crystallographica 13 (1960) 454-458 |
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The crystal structure of spurrite, Ca5(SiO4)2CO3. |
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II. Description of structure |
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Locality: contact zone at Scawt Hill, North Ireland |
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_database_code_amcsd 0009239 |
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10.49 6.705 14.16 90 101.317 90 P2_1/a |
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atom x y z |
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Ca1 .140 .661 .072 |
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Ca2 .033 .240 .612 |
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Ca3 .239 .061 .455 |
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Ca4 .044 .990 .830 |
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Ca5 .133 .507 .826 |
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Si1 .135 .221 .056 |
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Si2 .025 .750 .604 |
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C .185 .695 .285 |
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O1 .124 .237 .938 |
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O2 .141 .995 .098 |
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O3 .008 .334 .083 |
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O4 .263 .333 .106 |
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O5 .883 .153 .468 |
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O6 .890 .427 .335 |
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O7 .024 .072 .330 |
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O8 .098 .340 .468 |
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O9 .283 .696 .235 |
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O10 .073 .685 .230 |
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O11 .211 .712 .372 |
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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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