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Na1.265Mn3.475(PO4)3 |
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Yakubovich O V, Massa W, Gavrilenko P G, Dimitrova O V |
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European Journal of Mineralogy 17 (2005) 741-747 |
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The crystal structure of a new synthetic member in the |
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wyllieite group: Na1.265Mn2+2.690Mn3+0.785(PO4)3 |
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Note: Uiso's for Mn2 and Mn3 corrected by authors |
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_database_code_amcsd 0007131 |
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6.5291 12.653 10.952 90 97.18 90 P2_1/c |
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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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Na1X2 .2468 .0182 .5007 .854 .0322 .0398 .0425 .0162 -.0005 .0108 -.0029 |
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Na2X1a .5 .5 .5 .411 .0344 .051 .0150 .0442 -.0051 .0354 -.0015 |
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Mn1M1 .76656 .26564 .49928 .0095 .0086 .0121 .0071 .0010 -.0018 -.0009 |
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Mn2M2a .08817 .14513 .72576 .0070 .0055 .0115 .0039 -.0007 .0004 -.0012 |
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Mn3M2b .42027 .16786 .28292 .0076 .0077 .0086 .0063 -.0008 -.0007 .0002 |
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Mn4X1b .0266 .5028 .5130 .475 .0136 .029 .0057 .0083 -.0033 .0104 -.0033 |
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P1 .6195 .40115 .23241 .0074 .0039 .0131 .0053 .0013 .0009 -.0012 |
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P2 .0915 .88358 .73581 .0061 .0079 .0062 .0047 -.0002 .0026 -.0003 |
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P3 .2655 .28952 .50696 .0052 .0046 .0070 .0044 .0001 .0015 .0003 |
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O1 .4221 .3345 .2312 .0166 .0048 .0347 .0107 -.0014 .0020 -.0009 |
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O2 .0508 .9885 .6700 .0131 .0161 .0105 .0125 .0015 .0011 .0002 |
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O3 .1557 .6013 .3754 .0093 .0116 .0108 .0055 .0004 .0003 .0008 |
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O4 .1633 .3743 .4198 .0124 .0156 .0126 .0092 .0066 .0015 .0010 |
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O5 .4385 .0095 .3255 .0182 .0181 .0248 .0119 -.0130 .0019 -.0040 |
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O6 .3862 .3552 .6108 .0159 .0200 .0159 .0109 -.0098 -.0013 .0008 |
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O7 .2606 .8251 .6757 .0123 .0164 .0118 .0103 -.0003 .0075 -.0023 |
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O8 .1036 .1862 .2816 .0111 .0122 .0139 .0070 -.0054 .0004 -.0011 |
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O9 .4341 .2239 .4529 .0097 .0059 .0164 .0074 .0030 .0026 .0017 |
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O10 .0988 .2161 .5443 .0078 .0055 .0126 .0054 -.0028 .0017 .0003 |
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O11 .7645 .3466 .1508 .0120 .0074 .0169 .0128 -.0010 .0054 -.0044 |
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O12 .7266 .4102 .3660 .0143 .0164 .0159 .0094 .0017 -.0029 -.0002 |
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Pb2[B5O9]Br |
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Yakubovich O V, Mochenova N N, Dimitrova O V, Massa W |
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Acta Crystallographica E60 (2004) i127-i130 |
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Reinvestigation of the Pb2[B5O9]Br structure based on single-crystal data |
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_database_code_amcsd 0010437 |
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11.4935 11.4717 6.5297 90 90 90 Pnn2 |
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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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Pb1 .25762 .04280 .00433 .01489 .0172 .0170 .0105 .0011 .0010 .0004 |
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Pb2 .02631 .23505 -.66205 .01614 .0187 .0179 .0118 -.0013 .0034 .0000 |
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B1 .2706 .3217 -.795 .008 |
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B2 .1803 .3009 -.146 .012 |
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B3 .2864 .2180 -.460 .010 |
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B4 .4556 .2354 -.683 .011 |
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B5 .2513 .4950 -.019 .009 |
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O1 .2376 .3135 -.5784 .0030 |
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O2 .2084 .4248 -.173 .0108 |
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O3 .2717 .2256 -.2448 .0079 |
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O4 .0686 .2753 -.2398 .017 |
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O5 .2790 .4487 -.835 .015 |
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O6 .3827 .2616 -.8357 .0092 |
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O7 .1785 .2698 -.9231 .0046 |
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O8 .4168 .2110 -.4921 .0090 |
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O9 .2339 .1103 -.5577 .0106 |
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Br1 0 0 -.9081 .0289 .0202 .0154 .0511 -.0011 0 0 |
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Br2 0 .5 -.6476 .0259 .0188 .0179 .0411 .0002 0 0 |
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Pyromorphite |
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Barinova A V, Bonin M, Pushcharovsky D Y, Rastsvetaeva R K, Schenk K, |
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Dimitrova O V |
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Crystallography Reports 43 (1998) 189-192 |
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Crystal structure of synthetic hydroxylpyromorphite Pb5(PO4)3(OH) |
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Locality: synthetic |
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Note: y(O3) corrected |
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_database_code_amcsd 0012355 |
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9.774 9.774 7.291 90 90 120 P6_3/m |
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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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Pb1 1/3 2/3 .4973 .95 .0038 .0038 .0029 .0019 0 0 |
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Pb2 .2364 .2319 .25 1.37 .0029 .0034 .0112 .0038 0 0 |
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P .4045 .0231 .25 .4 .0015 .0007 .0021 .0009 0 0 |
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O1 .3256 .8415 .25 .5 .0028 .0017 .0005 .0018 0 0 |
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O2 .5860 .1005 .25 1.1 .0017 .0042 .0073 .0025 0 0 |
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O3 .3541 .0813 .08132 1.2 .0045 .0031 .0059 .0038 -.0068 -.0016 |
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OH 0 0 0 4.3 .0058 .0058 .0446 .0029 0 0 |
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