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Blatterite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 36 (1998) 1171-1193 |
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The crystal structure of blatterite, Sb3(Mn,Fe)9(Mn,Mg)35(BO3)16O32, |
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and structural hierarchy in Mn-bearing zigzag borates |
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_database_code_amcsd 0005563 |
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37.654 12.615 6.2472 90 90 90 Pnnm |
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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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Sb1 0 0 0 .0060 .0063 .0055 .0062 .0012 0 0 |
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Sb2 .37486 .28738 .5 .0066 .0066 .0056 .0075 -.0004 0 0 |
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Mn1 0 .5 0 .90 .0061 .0054 .0062 .0066 .0005 0 0 |
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Al1 0 .5 0 .10 .0061 .0054 .0062 .0066 .0005 0 0 |
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Mn2 .25239 .0645 0 .0069 .0055 .0086 .0067 -.0003 0 0 |
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Mn3 .06329 .3952 0 .91 .0069 .0076 .0050 .0081 .0012 0 0 |
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Al3 .06329 .3952 0 .09 .0069 .0076 .0050 .0081 .0012 0 0 |
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Mn4 .18948 .1832 0 .0074 .0089 .0064 .0070 .0016 0 0 |
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Mn5 .12551 .2853 0 .0068 .0043 .0086 .0077 .0022 0 0 |
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MnM1 .25299 .0646 .5 .0103 .0114 .0106 .0089 -.0038 0 0 |
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MnM2 .5 .5 0 .52 .0087 .0088 .0095 .0077 -.0010 0 0 |
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MgM2 .5 .5 0 .48 .0087 .0088 .0095 .0077 -.0010 0 0 |
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MnM3 .37460 .2875 0 .62 .0079 .0070 .0092 .0074 -.0024 0 0 |
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MgM3 .37460 .2875 0 .38 .0079 .0070 .0092 .0074 -.0024 0 0 |
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MnM4 .18903 .4059 .2513 .69 .0084 .0101 .0062 .0089 -.0010 -.0004 .0007 |
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MgM4 .18903 .4059 .2513 .31 .0084 .0101 .0062 .0089 -.0010 -.0004 .0007 |
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MnM5 .06157 .1724 .2499 .52 .0080 .0079 .0064 .0098 -.0009 -.0006 -.0003 |
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MgM5 .06157 .1724 .2499 .48 .0080 .0079 .0064 .0098 -.0009 -.0006 -.0003 |
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MnM6 .31388 .4598 .2535 .50 .0089 .0100 .0075 .0091 .0008 -.0005 -.0008 |
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MgM6 .31388 .4598 .2535 .50 .0089 .0100 .0075 .0091 .0008 -.0005 -.0008 |
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MnM7 .43639 .1159 .2478 .58 .0084 .0084 .0074 .0096 .0016 .0005 .0008 |
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MgM7 .43639 .1159 .2478 .42 .0084 .0084 .0074 .0096 .0016 .0005 .0008 |
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MnM8 .31042 .1827 .2438 .41 .0076 .0066 .0077 .0085 -.0008 .0003 .0001 |
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MgM8 .31042 .1827 .2438 .59 .0076 .0066 .0077 .0085 -.0008 .0003 .0001 |
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MnM9 .43673 .3959 .2413 .21 .0076 .0080 .0064 .0084 -.0012 -.0007 -.0003 |
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MnM9 .43673 .3959 .2413 .79 .0076 .0080 .0064 .0084 -.0012 -.0007 -.0003 |
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MnX1 .1874 .1799 .5 .0098 .0138 .0061 .0094 -.0021 0 0 |
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MnX2 .178 .187 .5 .0098 .0138 .0061 .0094 -.0021 0 0 |
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MnX3 .1207 .3019 .5 .0190 .0225 .0275 .0070 -.0197 0 0 |
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MnX4 .0274 .4086 .5 .0268 .0533 .0203 .0069 -.0186 0 0 |
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MnX5 .0526 .3994 .5 .0294 .0708 .0087 .0086 .0015 0 0 |
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MnX6 .1036 .366 .5 .0353 .0540 .0498 .0021 -.0489 0 0 |
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MnX7 .0092 .469 .5 .0372 .0273 .0768 .0074 -.0455 0 0 |
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B1 .4914 .2568 0 .0069 |
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B2 .4928 .2566 .5 .0069 |
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B3 .3677 .0440 .5 .0069 |
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B4 .3682 .0426 0 .0069 |
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B5 .2587 .3295 0 .0069 |
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B6 .2559 .3202 .5 .0069 |
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B7 .1181 .0313 0 .0069 |
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B8 .1172 .0397 .5 .0069 |
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O1 .2764 .2345 0 .0136 |
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O2 .2748 .2274 .5 .0086 |
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O3 .3508 -.0529 0 .0130 |
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O4 .3484 -.0481 .5 .0086 |
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O5 .0989 .1337 .5 .0098 |
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O6 .0987 .1233 0 .0109 |
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O7 .2195 .3212 .5 .0071 |
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O8 .2224 .3342 0 .0095 |
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O9 .0986 -.0538 .5 .0081 |
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O10 .1003 -.0635 0 .0084 |
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O11 .5278 .2587 0 .0101 |
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O12 .5292 .2555 .5 .0096 |
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O13 .1544 .0312 0 .0101 |
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O14 .1535 .0377 .5 .0095 |
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O15 .4046 .0445 0 .0119 |
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O16 .4041 .0446 .5 .0106 |
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O17 .3415 .3213 .269 .0053 |
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O18 .4089 .2570 .269 .0058 |
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O19 .2747 .4132 .5 .0101 |
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O20 .2784 .4209 0 .0081 |
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O21 .1606 .2549 .218 .0088 |
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O22 .3498 .1363 0 .0092 |
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O23 .3503 .1393 .5 .0100 |
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O24 .0900 .3203 .212 .0089 |
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O25 .2843 .0422 .230 .0070 |
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O26 .0352 .4679 .209 .0087 |
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O27 .4724 .3493 0 .0086 |
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O28 .4755 .3522 .5 .0077 |
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O29 .0336 .0329 .231 .0077 |
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O30 .2147 .1066 .219 .0088 |
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O31 .4735 .1645 .5 .0094 |
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O32 .4742 .1611 0 .0139 |
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View JMOL 3-D Structure (permalink) |
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