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RbFeSi3O8 |
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Brunton G D, Harris L A, Kopp O C |
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American Mineralogist 57 (1972) 1720-1728 |
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Crystal structure of a rubidium iron feldspar |
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_database_code_amcsd 0000297 |
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8.952 13.127 7.359 90.05 116.47 89.35 C-1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Rb1 .29248 -.00054 .14784 .0077 .00352 .0115 .00016 .00418 .00158 |
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Si1o .0071 -.80854 .2190 .513 .0054 .00213 .0073 .00082 .0033 .00067 |
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Fe1o .0071 -.80854 .2190 .487 .0054 .00213 .0073 .00082 .0033 .00067 |
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Si1m .0073 -.19027 .2228 .611 .0057 .00227 .0079 -.00029 .0035 -.00076 |
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Fe1m .0073 -.19027 .2228 .389 .0057 .00227 .0079 -.00029 .0035 -.00076 |
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Si2o .7202 -.8808 .3422 .890 .0068 .00200 .0071 .0003 .0031 -.0001 |
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Fe2o .7202 -.8808 .3422 .110 .0068 .00200 .0071 .0003 .0031 -.0001 |
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Si2m .7197 -.1178 .3443 .898 .0065 .00191 .0068 .0004 .0029 .0003 |
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Fe2m .7197 -.1178 .3443 .102 .0065 .00191 .0068 .0004 .0029 .0003 |
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OA1 .6657 .0008 .2821 .0165 .0023 .0128 .0003 .0011 -.0003 |
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OA2 .0002 -.1482 .0051 .0068 .0033 .0228 -.0004 .0039 -.0009 |
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OBo .8217 -.8422 .2228 .0116 .0057 .0175 -.0005 .0100 -.0021 |
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OBm .8242 -.1576 .2272 .0133 .0057 .0213 .0010 .0135 .0027 |
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OCo .0467 -.6799 .2633 .0090 .0033 .0116 -.0003 .0038 .0003 |
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OCm .0458 -.3172 .2671 .0078 .0035 .0115 .0004 .0031 -.0008 |
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ODo .1736 -.8749 .4114 .0097 .0028 .0072 .0005 .0027 .0003 |
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ODm .1702 -.1264 .4138 .0090 .0026 .0074 .0000 .0012 .0002 |
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Callaghanite |
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Brunton G D |
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American Mineralogist 58 (1973) 965-965 |
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Refinement of the callaghanite structure |
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_database_code_amcsd 0000388 |
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10.0060 11.7520 8.2132 90 107.38 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .04844 .10820 .45595 .00171 .00091 .00390 -.00015 .00087 .00022 |
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Mg .15640 .31527 .32767 .00156 .00114 .00363 -.00003 .00053 .00023 |
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C 0 .5395 .25 .0023 .0011 .0040 0 .0007 0 |
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O1 .1165 .4860 .2787 .0025 .00134 .0083 .00031 .0007 .00004 |
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O2 0 .6487 .25 .0033 .00107 .0099 0 .0024 0 |
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OH1 .0169 .2648 .0987 .00212 .00140 .0037 -.00010 .00080 -.00033 |
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OH2 .1153 .9511 .4962 .00226 .00133 .0055 -.00011 .00131 .00017 |
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OH3 .2225 .15247 .4171 .00184 .00141 .0041 -.00007 .00098 .00014 |
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Wat .3328 .3271 .2481 .0028 .00211 .0056 .00037 .0021 .00049 |
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Paulmooreite |
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Araki T, Moore P B, Brunton G D |
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American Mineralogist 65 (1980) 340-345 |
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The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups |
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_database_code_amcsd 0000778 |
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13.584 5.650 8.551 90 108.78 90 P2_1/a |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .87944 .34777 .85850 .00210 .01403 .00522 -.00028 .00068 -.00074 |
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Pb2 .19928 .65316 .65005 .00202 .01342 .00609 -.00045 .00102 0.00062 |
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As1 .93649 .87122 .61423 .00183 .01206 .00520 -.00014 .00119 0.00057 |
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As2 .12882 .12912 .88433 .00186 .01284 .00550 0.00052 .00123 -.00024 |
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O1 .8488 .6698 .6518 .00221 .01195 .00885 -.00071 .00155 -.00120 |
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O2 .8642 .1238 .6227 .00206 .01297 .00607 0.00091 .00087 -.00099 |
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O3 .0316 .8904 .8209 .00193 .02612 .00593 -.00417 .00022 0.00158 |
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O4 .2060 .0530 .7597 .00210 .01800 .00801 -.00066 .00289 -.00115 |
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O5 .1999 .9990 .0698 .00295 .01989 .00434 -.00163 .00014 0.00029 |
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Ferruccite |
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Brunton G |
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Acta Crystallographica B24 (1968) 1703-1704 |
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Refinement of the structure of NaBF4 |
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Locality: synthetic |
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_database_code_amcsd 0009350 |
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6.8368 6.2619 6.7916 90 90 90 Cmcm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na 0 .6552 .25 .0136 .0121 .0089 0 0 0 |
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B 0 .1608 .25 .0085 .0078 .0076 0 0 0 |
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F1 0 .2920 .0846 .0185 .0137 .0087 0 0 0029 |
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F2 .1644 .0312 .25 .0121 .0156 .0201 .0054 0 0 |
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Avogadrite |
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Brunton G |
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Acta Crystallographica B25 (1969) 2161-2162 |
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The crystal structure of KBF4 |
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_database_code_amcsd 0009363 |
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8.6588 5.4800 7.0299 90 90 90 Pnma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K .18449 .25 .1611 .0037 .0183 .0116 0 -.00014 0 |
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B .0626 .25 .6897 .0038 .0142 .0111 0 -.0009 0 |
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F1 .1789 .25 .5560 .0110 .0287 .0153 0 .0050 0 |
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F2 -.0814 .25 .6049 .0075 .0385 .0245 0 -.0071 0 |
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F3 .0774 .0440 .8039 .0092 .0173 .0165 -.0001 .0008 .0042 |
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Lopezite |
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Brunton G |
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Materials Research Bulletin 8 (1973) 271-274 |
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Refinement of the structure of K2Cr2O7 |
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Locality: synthetic |
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_database_code_amcsd 0014228 |
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7.4200 13.399 7.3845 98.03 90.88 96.18 P-1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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K1 .66919 .14053 .1038 .0119 .00241 .0141 .00100 -.00337 .00039 |
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K2 .23292 .15052 .74983 .0106 .00307 .0126 .00040 -.00145 .00199 |
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K3 .34729 .63594 .3046 .0114 .00294 .0142 .00042 .0030 .00069 |
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K4 .08500 .34153 .33748 .0096 .00277 .0090 .00011 -.00069 .00068 |
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Cr1 .19317 .08615 .20690 .00797 .00193 .00720 .00086 .00016 .00073 |
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Cr2 .76885 .10722 .59195 .00827 .00196 .00726 .00041 .00028 .00076 |
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Cr3 .84734 .58327 .18665 .00736 .00204 .00666 .00018 -.00043 .00058 |
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Cr4 .57394 .38661 .18305 .00748 .00186 .00755 .00032 -.00103 .00003 |
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O1 .3250 .0570 .0410 .0117 .0031 .0102 .0013 .0032 .0007 |
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O2 .0295 .1395 .1312 .0114 .0035 .0151 .0024 -.0012 .0024 |
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O3 .1068 .9732 .2919 .0093 .0032 .0143 .0006 -.0002 .0033 |
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O4 .3049 .1630 .3652 .0171 .0036 .0105 -.0002 -.0035 -.0007 |
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O5 .3878 .8508 .2793 .0118 .0042 .0122 .0022 .0037 .0004 |
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O6 .0903 .7981 .4451 .0133 .0030 .0159 -.0009 .0007 .0030 |
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O7 .3153 .9547 .5979 .0167 .0035 .0093 .0011 -.0024 -.0005 |
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O8 .7037 .4774 .0703 .0104 .0026 .0071 -.0006 -.0008 .0002 |
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O9 .4816 .3000 .0241 .0133 .0023 .0116 -.0001 -.0046 -.0005 |
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O10 .7066 .3362 .3113 .0107 .0035 .0114 .0007 -.0032 .0018 |
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O11 .4243 .4395 .3049 .0115 .0031 .0158 .0011 .0038 .0003 |
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O12 -.0003 .5432 .3079 .0093 .0031 .0130 .0009 -.0031 .0008 |
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O13 .7262 .6520 .3229 .0103 .0028 .0101 .0009 -.0003 -.0004 |
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O14 .9388 .6487 .0398 .0154 .0042 .0115 -.0019 .0012 .0027 |
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Katoptrite |
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Moore P B, Araki T, Brunton G D |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 127 (1976) 47-61 |
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Catoptrite, (Mn2+5Sb5+2)VI(Mn2+8Al4Si2)IVO28, |
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a novel close-packed oxide sheet structure |
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Locality: Langban, Sweden |
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_database_code_amcsd 0014705 |
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5.617 23.02 9.079 90 101.38 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn1 0 0 0 .0166 .0006 .00048 0 0 0 |
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Mn2 0 .2867 0 .0060 .0007 .0138 0 .0041 0 |
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Mn3 0 .4271 0 .0140 .0008 .0047 0 .0011 0 |
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Sb 0 .1418 0 .0048 .0005 .0039 0 .0011 0 |
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Mn4 .7840 .1436 .3630 .0122 .0009 .0055 .0000 .0015 .0002 |
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Mn5 .2778 .0698 .3447 .0125 .0005 .053 -.001 .0010 -.0003 |
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Al .2739 .2143 .3341 .0121 .0013 .0109 .0000 .0081 -.0002 |
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Si .7702 0 .3210 .0186 .0004 .0035 0 .0007 0 |
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O1 .6935 0 .1239 .0102 .0010 .0067 0 .0024 0 |
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O2 .1993 .0758 .1155 .0164 .0013 .0049 -.0021 .0019 -.0002 |
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O3 .7320 .1418 .1196 .0146 .0011 .0045 -.0001 -.0008 .0001 |
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O4 .1896 .2091 .1173 .0136 .0009 .0049 -.0008 -.0007 -.0003 |
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O5 .0667 0 .3527 .0320 .0016 .0058 0 .00001 0 |
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O6 .6476 .0613 .3794 .0195 .0019 .0095 .0001 .0040 -.0001 |
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O7 .599 .2216 .3654 .0347 .0010 .0140 -.0010 .0075 -.0001 |
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O8 .1607 .1486 .3961 .0208 .0013 .0075 .0003 .0013 -.0008 |
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|
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