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Veszelyite |
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Ghose S, Leo S R, Wan C |
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American Mineralogist 59 (1974) 573-581 |
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Structural chemistry of copper and zinc minerals. Part I. Veszelyite, |
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(Cu,Zn)2ZnPO4(OH)3.2H2O: A novel type of sheet structure and crystal |
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chemistry of copper-zinc substitution |
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Locality: Arakawa mine, Japan |
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_database_code_amcsd 0000408 |
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9.8275 10.2244 7.5322 90 103.18 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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Cu1 .12991 .07328 .49115 .00318 .00172 .00583 -.00070 .00224 -.00078 |
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Cu2 .35837 .25318 .45957 .00321 .00165 .00527 -.00062 .00211 -.00039 |
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Zn .21036 .07612 .06936 .00308 .00184 .00534 -.00020 .00149 -.00040 |
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P .41433 .29884 .06551 .00273 .00155 .00451 .00002 .00166 .00021 |
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O1 .03230 .15904 .97475 .00324 .00322 .00553 .00120 .00168 .00017 |
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O2 .35754 .16623 .98344 .00466 .00152 .00712 -.00088 .00253 -.00069 |
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O3 .46803 .28632 .27424 .00434 .00237 .00352 -.00056 .00176 -.00021 |
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O4 .29531 .39994 .02472 .00365 .00190 .00904 .00091 .00231 .00179 |
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OH1 .26853 .08673 .33723 .00424 .00189 .00450 -.00014 .00270 -.00013 |
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OH2 .23522 .21782 .62330 .00332 .00220 .00487 -.00075 .00211 -.00041 |
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OH3 .46392 .40724 .60096 .00210 .00161 .00563 -.00027 .00149 -.00026 |
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Wat1 .03710 .38414 .65793 .00395 .00373 .01254 .00004 .00107 -.00019 |
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Wat2 .19138 .40815 .31930 .00569 .00450 .00780 .00034 .00301 .00001 |
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Searlesite |
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Ghose S, Wan C |
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American Mineralogist 61 (1976) 123-129 |
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Structural chemistry of borosilicates, part II: Searlesite, NaBSi2O5(OH): |
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Absolute configuration, hydrogen locations, and refinement of the structure |
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Note: unable to reproduce any of the reported bond lengths |
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_database_code_amcsd 0000498 |
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7.9814 7.0657 4.9054 90 93.95 90 P2_1 |
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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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Na .4390 0 .9812 1.662 .0071 .0068 .0197 -.0006 .0032 .0037 |
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B .3514 .7984 .3984 .608 .0019 .0028 .0083 -.0002 -.0001 -.0003 |
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Si1 .13465 .41571 .21207 .501 .0015 .0024 .0067 -.0004 -.0006 .0005 |
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Si2 .08340 .98671 .31053 .441 .0013 .0020 .0063 .0001 .0001 .0002 |
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O1 .1651 .1903 .2492 1.31 .0050 .0025 .0223 -.0016 -.0013 .0027 |
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O2 .0851 .4610 .8931 .87 .0022 .0071 .0064 .0003 -.0003 .0013 |
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O3 .2202 .8314 .2566 1.09 .0041 .0047 .0137 .0030 .0007 .0003 |
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O4 .3114 .5110 .3087 .76 .0018 .0023 .0141 -.0003 -.0012 -.0010 |
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O5 .0222 .9842 .6177 1.13 .0029 .0102 .0071 -.0003 .0013 -.0003 |
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O6 .3604 .7261 .6953 1.09 .0039 .0074 .0084 -.0015 .0004 -.0011 |
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O7 .4858 .2563 .7005 .93 .0025 .0055 .0111 .0016 .0006 .0013 |
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H1 .267 .699 .769 -.9 |
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H2 .578 .424 .416 -.5 |
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Rosenhahnite |
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Wan C, Ghose S, Gibbs G V |
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American Mineralogist 62 (1977) 503-512 |
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Rosenhahnite, Ca3Si3O8(OH)2: crystal structure and the stereochemical |
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configuration of the hydroxylated trisilicate group, [Si3O8(OH)2] |
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Note: sample is from Mendocino County, California |
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_database_code_amcsd 0000580 |
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6.955 9.484 6.812 108.64 94.84 95.89 P-1 |
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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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Ca1 .27993 .34503 .18405 .00288 .00207 .00433 .00016 .00005 .00053 |
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Ca2 .09599 .68010 .24285 .00272 .00203 .00388 .00022 .00002 .00021 |
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Ca3 .84648 .00858 .26704 .00319 .00236 .00350 .00023 -.00055 .00016 |
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Si1 .30412 .04876 .27718 .00187 .00171 .00282 -.00011 .00009 .00014 |
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Si2 .62432 .66151 .32901 .00173 .00175 .00261 -.00008 -.00006 .00004 |
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Si3 .80203 .37614 .27028 .00197 .00185 .00286 .00010 .00000 .00031 |
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O1 .19280 .08740 .09020 .00493 .00265 .00357 -.00014 -.00119 .00071 |
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O2 .50030 .96960 .21310 .00323 .00298 .00611 .00066 .00049 -.00107 |
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O3 .15940 .94800 .36680 .00334 .00226 .00505 -.00045 .00034 .00103 |
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O4 .39380 .21320 .44710 .00391 .00211 .00414 -.00037 .00056 -.00074 |
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O5 .76940 .72540 .19690 .00287 .00276 .00401 .00018 .00067 .00127 |
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O6 .40850 .59310 .20710 .00264 .00227 .00360 -.00052 -.00048 .00015 |
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O7 .72110 .53300 .41280 .00406 .00224 .00355 .00085 .00014 .00038 |
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O8 .60820 .29500 .09110 .00323 .00287 .00442 -.00044 -.00104 .00042 |
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O9 .85600 .27160 .40150 .00474 .00235 .00438 .00072 .00008 .00104 |
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O10 .97480 .41930 .14750 .00274 .00301 .00428 .00011 .00086 .00116 |
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H1 .52400 .10100 -.1220 3.0 |
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H2 .60200 .34200 -.0200 .8 |
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Aristarainite |
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Ghose S, Wan C |
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American Mineralogist 62 (1977) 979-989 |
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Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of |
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hexaborate polyanions |
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_database_code_amcsd 0000598 |
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18.886 7.521 7.815 90 97.72 90 P2_1/a |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 0 0 .00070 .00554 .00410 .00045 .00017 .00009 |
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Na .15952 .3596 .2899 .00157 .02380 .01059 -.00167 -.00001 -.00302 |
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B1 .43470 .3460 .3264 .00066 .00528 .00350 .00006 -.00010 -.00027 |
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B2 .38760 .1974 .0335 .00065 .00470 .00421 .00000 .00028 -.00027 |
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B3 .30083 .4000 .1834 .00062 .00544 .00377 .00022 .00013 -.00041 |
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B4 .47496 .0483 .2533 .00117 .00659 .00523 .00067 .00092 .00065 |
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B5 .25658 .1548 .9888 .00078 .00429 .00448 -.00009 .00009 .00064 |
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B6 .33928 .4416 .4961 .00102 .00684 .00515 .00039 .00037 -.00020 |
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O1 .47237 .1790 .3709 .00114 .00685 .00475 .00091 -.00037 -.00005 |
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Oh2 .48064 .4734 .2541 .00094 .00852 .00385 -.00110 -.00001 -.00028 |
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O3 .37300 .3084 .1864 .00060 .00486 .00354 .00015 -.00001 -.00030 |
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O4 .40957 .4121 .4814 .00083 .00773 .00376 .00002 .00014 -.00092 |
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O5 .43580 .0515 .0943 .00105 .00556 .00475 .00069 .00014 -.00031 |
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Oh6 .42279 .3154 .9188 .00075 .00528 .00423 -.00025 .00042 -.00060 |
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O7 .32265 .1240 .9421 .00066 .00723 .00552 -.00053 .00031 -.00208 |
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O8 .24590 .2806 .1069 .00061 .00639 .00680 -.00031 .00033 -.00177 |
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O9 .19713 .0630 .9168 .00057 .00617 .00783 -.00021 .00009 -.00208 |
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O10 .28768 .4373 .3579 .00080 .01054 .00453 .00080 .00019 -.00114 |
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Oh11 .48078 .0953 .7071 .00340 .01275 .00404 .00480 .00038 .00107 |
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O12 .31871 .4800 .6537 .00137 .02170 .00438 .00226 .00034 -.00154 |
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OW13 .08086 .2036 .0388 .00087 .00671 .00790 .00008 .00041 .00061 |
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OW14 .16514 .3779 .5931 .00392 .03457 .02377 .00174 .00380 .00026 |
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H1 .489 .491 .667 .8 |
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H2 .438 .238 .842 1.2 |
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H3 .476 .118 .599 1.4 |
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H4 .348 .444 .741 1.4 |
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H5 .073 .309 .983 1.0 |
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H6 .119 .161 -.007 2.4 |
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H7 .166 .502 .562 3.2 |
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H8a .184 .367 .715 .5 5.0 |
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H8b .117 .289 .585 .5 3.6 |
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Reinerite |
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Ghose S, Boving P, LaChapelle W A, Wan C |
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American Mineralogist 62 (1977) 1129-1134 |
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Reinerite, Zn3(AsO3)2: an arsenite with a novel type of Zn-tetrahedral |
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double chain |
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_database_code_amcsd 0000602 |
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6.092 14.407 7.811 90 90 90 Pbam |
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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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Zn1 0 .5 .31453 .01251 .00099 .00252 -.00006 0 0 |
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Zn2 .56494 .77908 .78434 .00804 .00124 .00361 .00002 -.00058 -.00009 |
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As1 .91312 .87436 .5 .00783 .00113 .00298 -.00026 0 0 |
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As2 .22305 .90126 0 .00847 .00101 .00335 .00065 0 0 |
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O1 .3304 .0608 .5 .01304 .00149 .00352 .00158 0 0 |
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O2 .3349 .2807 0 .01103 .00124 .00338 .00085 0 0 |
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O3 .1519 .1997 .3262 .00840 .00218 .00534 .00058 .00053 .00162 |
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O4 .0904 .3965 .1736 .01372 .00098 .00456 -.00043 .00353 -.00042 |
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Hungchaoite |
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Wan C, Ghose S |
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American Mineralogist 62 (1977) 1135-1143 |
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Hungchaoite, Mg(H2O)5B4O5(OH)4.2H2O: a hydrogen-bonded molecular complex |
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_database_code_amcsd 0000603 |
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8.807 10.657 7.897 103.39 108.53 97.18 P-1 |
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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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Mg .82907 .22643 .13238 .0165 .0193 .0181 .0028 .0035 .0067 |
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B1 .1812 .3017 .4835 .0133 .0151 .0151 .0019 .0035 .0060 |
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B2 .2242 .0830 .5269 .0200 .0172 .0179 .0053 .0053 .0061 |
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B3 .2786 .2761 .7926 .0152 .0161 .0137 .0027 .0048 .0048 |
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B4 .4629 .4094 .6887 .0138 .0171 .0153 .0021 .0053 .0043 |
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O1 .1915 .1614 .4106 .0207 .0159 .0144 .0045 .0050 .0060 |
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O2 .2731 .1322 .7163 .0236 .0148 .0149 .0042 .0049 .0055 |
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O3 .4437 .3536 .8219 .0127 .0231 .0149 .0001 .0025 .0067 |
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O4 .3412 .3893 .5202 .0138 .0218 .0145 .0016 .0027 .0077 |
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O5 .1545 .3188 .6596 .0124 .0180 .0152 .0043 .0052 .0064 |
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Oh1 .0509 .3305 .3391 .0151 .0162 .0186 .0014 .0000 .0080 |
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Oh2 .2054 .9517 .4428 .0595 .0163 .0194 .0091 .0082 .0055 |
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Oh3 .2539 .2893 .9977 .0225 .0203 .0136 .0005 .0079 .0040 |
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Oh4 .6132 .4891 .7326 .0163 .0279 .0158 .0056 .0037 .0080 |
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OW1 .6108 .1148 .9272 .0183 .0251 .0304 .0054 .0019 .0025 |
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OW2 .8876 .0453 .1425 .0198 .0211 .0311 .0028 .0040 .0104 |
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OW3 .7246 .2192 .3387 .0204 .0269 .0236 .0029 .0072 .0066 |
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OW4 .7415 .3950 .1071 .0274 .0221 .0311 .0093 .0044 .0052 |
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OW5 .9268 .2267 .9257 .0237 .0336 .0199 .0012 .0090 .0035 |
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OW6 .3975 .1503 .2039 .0226 .0298 .0260 .0080 .0112 .0093 |
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OW7 .8919 .4104 .6640 .0252 .0255 .0359 .0105 .0143 .0110 |
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H1 .077 .413 .346 .053 |
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H2 .227 .907 .510 .063 |
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H3 .293 .366 .049 .055 |
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H4 .619 .520 .651 .040 |
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H5 .518 .127 .866 .049 |
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H6 .609 .028 .877 .065 |
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H7 .838 .987 .178 .064 |
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H8 .994 .059 .208 .057 |
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H9 .617 .211 .300 .058 |
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H10 .762 .291 .432 .062 |
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H11 .776 .475 .180 .065 |
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H12 .649 .390 .023 .036 |
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H13 .030 .25 .947 .058 |
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H14 .883 .169 .823 .059 |
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H15 .340 .156 .268 .050 |
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H16 .357 .192 .133 .064 |
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H17 .975 .379 .665 .060 |
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H18 .858 .403 .755 .050 |
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Ulexite |
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Ghose S, Wan C, Clark J R |
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American Mineralogist 63 (1978) 160-171 |
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Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion |
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configuration, hydrogen bonding, and fiber optics |
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_database_code_amcsd 0000611 |
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8.816 12.870 6.678 90.36 109.05 104.98 P-1 |
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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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Ca .1422 .0256 .3042 .0115 .0103 .0125 .0020 .00170 -.0003 |
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Na .4774 .5015 .2438 .0316 .0235 .0266 .0100 .00960 .0012 |
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B1 .0506 .2002 .6685 .0120 .0120 .0150 .0056 .00160 .0009 |
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B2 .3464 .2700 .8995 .0130 .0130 .0130 .0040 .00270 .0007 |
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B3 -.1891 .2240 .7821 .0150 .0150 .0160 .0070 .00400 -.0009 |
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B4 .2344 .0737 .7834 .0130 .0110 .0150 .0050 .00370 .0021 |
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B5 -.1737 .2697 .4276 .0150 .0150 .0130 .0060 .00210 -.0005 |
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O1 .1985 .2890 .7929 .0123 .0107 .0219 .0043 -.0005 -.0012 |
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O2 .1024 .1066 .6208 .0111 .0121 .0118 .0057 .00110 -.0008 |
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O3 -.0289 .2424 .4664 .0138 .0180 .0141 .0087 .00390 .0044 |
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O4 -.0650 .1677 .7840 .0147 .0152 .0146 .0082 .00640 .0030 |
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O5 .3701 .1692 .9112 .0123 .0114 .0170 .0036 .00250 .0007 |
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O6 -.2591 .2602 .5667 .0160 .0280 .0122 .0134 .00310 .0011 |
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Oh1 .2992 .0085 .6683 .0158 .0195 .0194 .0100 .00500 -.0008 |
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Oh2 -.1132 .3228 .9369 .0227 .0131 .0152 .0074 .00230 -.0009 |
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Oh3 .1580 .0068 .9265 .0153 .0126 .0175 .0059 .00370 .0028 |
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Oh4 -.3183 .1469 .8361 .0200 .0163 .0390 .0046 .01670 -.0002 |
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Oh5 .4776 .3597 .0025 .0136 .0124 .0211 .0033 -.0017 -.0004 |
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Oh6 -.2383 .3130 .2405 .0240 .0350 .0128 .0202 .00520 .0056 |
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OW1 .1462 .2106 .2240 .0205 .0220 .0196 .0105 .00640 .0031 |
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OW2 .4293 .1021 .3302 .0180 .0290 .0260 .0001 .00070 .0018 |
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OW3 .4707 .3586 .4870 .0240 .0220 .0310 .0079 .00670 -.0028 |
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OW4 .1925 .4794 .1850 .0280 .0220 .0340 .0040 .00100 .0000 |
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OW5 .2252 .4765 .6107 .0400 .0170 .0410 .0080 .01300 .0054 |
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H1 .397 .022 .698 .025 |
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H2 -.134 .373 .878 .03 |
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H3 .193 -.045 .975 .029 |
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H4 -.379 .169 .872 .03 |
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H5 .555 .342 .078 .04 |
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H6 -.189 .313 .147 .04 |
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H7 .086 .230 .285 .024 |
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H8 .092 .218 .088 .09 |
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H9 .439 .127 .229 .07 |
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H10 .513 .134 .418 .04 |
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H11 .392 .316 .421 .04 |
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H12 .555 .335 .513 .04 |
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H13 .120 .431 .113 .06 |
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H14 .192 .473 .294 .03 |
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H15 .202 .422 .664 .05 |
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H16 .191 .521 .662 .05 |
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Salesite |
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Ghose S, Wan C |
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American Mineralogist 63 (1978) 172-179 |
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Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal |
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structures and their magnetic behavior |
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Locality: synthetic |
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_database_code_amcsd 0000612 |
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10.784 6.708 4.781 90 90 90 Pnma |
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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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Cu 0 0 0 1.06 .0021 .0052 .0142 -.0008 -.0012 .0020 |
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I .24486 .25 -.00005 .79 .0015 .0040 .0102 0 -.0001 0 |
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O1 .3866 .25 .1947 1.54 .0021 .0106 .0187 0 -.0019 0 |
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O2 .1624 .0482 .1829 1.15 .0024 .0054 .0150 -.0008 -.0014 .0030 |
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Oh .0295 .25 -.1967 .98 .0024 .0042 .0119 0 .0002 0 |
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H .026 .25 -.394 6.0 |
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Cu(IO3)2*2H2O |
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Ghose S, Wan C |
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American Mineralogist 63 (1978) 172-179 |
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Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal |
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structures and their magnetic behavior |
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Locality: synthetic |
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_database_code_amcsd 0000613 |
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6.728 4.813 11.165 90 103.34 90 P2_1/c |
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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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Cu 0 0 0 .0040 .0136 .0018 .0000 .0005 .0013 |
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I .26058 .3638 .26659 .0032 .0113 .0012 -.0004 .0004 .0003 |
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O1 .4765 .1552 .3407 .0051 .0209 .0031 .0028 -.0002 .0009 |
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O2 .0705 .1995 .3364 .0055 .0171 .0025 -.0021 .0015 .0006 |
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O3 .2101 .2078 .1151 .0071 .0233 .0015 -.0031 .0005 -.0027 |
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O4 .7791 .2329 .0311 .0070 .0148 .0022 .0025 .0004 -.0007 |
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H1 .821 .383 .073 .8 |
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H2 .655 .279 -.041 2.0 |
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| Download AMC data (View Text File)
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Zektzerite |
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Ghose S, Wan C |
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American Mineralogist 63 (1978) 304-310 |
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Zektzerite, NaLiZrSi6O15: a silicate with six-tetrahedral-repeat double chains |
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Locality: Miarolitic cavities of the Golden Horn batholith |
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near Washington Pass, North Cascades, Washington, USA |
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_database_code_amcsd 0000638 |
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14.330 17.354 10.164 90 90 90 Cmca |
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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 .25 .21648 .25 .00251 .00078 .00799 0 0.00209 0 |
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Li .24712 0 0 .00152 .00107 .00197 0 0 -.00002 |
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Zr .25 -.08805 .25 .00053 .00029 .00088 0 -.00001 0 |
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Si1 .39091 .12869 .01792 .00059 .00042 .00129 -.00006 -.00009 -.00001 |
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Si2 .38965 .07306 .31148 .00063 .00041 .00129 -.00008 .00002 -.00007 |
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Si3 .39072 .19281 .54143 .00067 .00039 .00137 -.00005 .00007 -.00009 |
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O1 .37070 .21970 -.00542 .00222 .00050 .00289 .00005 -.00029 -.00004 |
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O2 .32801 .07851 -.07887 .00099 .00056 .00172 -.00015 -.00027 -.00004 |
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O3 .36177 .11174 .17054 .00136 .00102 .00172 .00007 -.00003 .00035 |
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O4 .32978 -.00240 .34095 .00102 .00053 .00217 -.00027 .00002 -.00010 |
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O5 .36064 .14017 .41591 .00136 .00064 .00221 -.00001 .00000 -.00050 |
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O6 .32984 .17405 .66829 .00121 .00071 .00184 -.00016 .00052 -.00003 |
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O7 .5 .11001 -.00132 .00056 .00170 .00362 0 0 -.00031 |
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O8 .5 .05683 .31751 .00041 .00115 .00419 0 0 -.00001 |
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O9 .5 .18146 .57081 .00072 .00148 .00400 0 0 .00025 |
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Guildite |
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Wan C, Ghose S, Rossman G R |
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American Mineralogist 63 (1978) 478-483 |
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Guildite, a layer structure with a ferric hydroxy-sulphate chain and its optical |
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absorption spectra |
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Note: OW2 y-coordinate changed in order to reproduce OW2 bond lengths |
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_database_code_amcsd 0000661 |
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9.786 7.134 7.263 90 105.28 90 P2_1/m |
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atom x y z Biso |
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Fe 0 0 0 .78 |
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Cu .3497 .25 .6224 1.25 |
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S1 .0180 .25 .6362 .71 |
|
S2 .7056 .25 .8828 .74 |
|
H1 .035 .25 .229 5.12 |
|
H2 .738 .061 .443 3.50 |
|
H3 .445 .25 .902 3.50 |
|
O1 .1172 .25 .5163 1.15 |
|
O2 .0489 .0812 .7612 1.27 |
|
O3 .8727 .25 .5223 1.33 |
|
O4 .7944 .0798 .8903 1.28 |
|
O5 .5967 .25 .7028 1.21 |
|
O6 .6436 .25 .4330 1.82 |
|
Oh .0487 .25 .1148 .77 |
|
OW1 .3731 .25 .3548 5.12 |
|
OW2 .6498 .4765 .3773 4.10 |
|
OW3 .3549 .25 .9039 3.40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Inesite |
|
Wan C, Ghose S |
|
American Mineralogist 63 (1978) 563-571 |
|
Inesite, a hydrated calcium manganese silicate with five-tetrahedral-repeat |
|
double chains |
|
_database_code_amcsd 0000669 |
|
8.889 9.247 11.975 88.15 132.07 96.64 P-1 |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca .38823 .26154 .10164 .0205 .0120 .0075 .0042 .0073 .0007 |
|
Mn1 0 0 0 .0111 .0139 .0084 .0013 .0066 .0007 |
|
Mn2 .09978 .07665 .77404 .0093 .0096 .0083 .0016 .0066 .0006 |
|
Mn3 .20633 .11273 .55863 .0086 .0124 .0086 .0008 .0065 .0001 |
|
Mn4 .30756 .15973 .33874 .0087 .0218 .0085 .0000 .0066 .0003 |
|
Si1 .13271 .72738 .77309 .0076 .0077 .0065 .0009 .0056 .0004 |
|
Si2 .21219 .75524 .55699 .0083 .0090 .0081 .0012 .0066 .0005 |
|
Si3 .01735 .60119 .26428 .0109 .0080 .0087 .0004 .0079 .0004 |
|
Si4 .31748 .81419 .28134 .0069 .0103 .0071 .0011 .0052 .0012 |
|
Si5 .40405 .88778 .08109 .0069 .0097 .0060 .0013 .0049 .0005 |
|
O1 .6530 .2168 .0560 .0092 .0124 .0078 .0018 .0055 -.0006 |
|
O2 .9568 .4283 .2119 .0204 .0074 .0167 -.0014 .0156 -.0009 |
|
O3 .0265 .1558 .3087 .0084 .0107 .0106 .0028 .0069 .0018 |
|
O4 .7920 .3069 .3140 .0154 .0153 .0099 .0052 .0106 .0032 |
|
O5 .9267 .1140 .5295 .0102 .0110 .0103 .0020 .0076 .0017 |
|
O6 .8988 .3865 .5653 .0221 .0113 .0114 .0008 .0128 -.0003 |
|
O7 .5515 .2071 .3509 .0112 .0229 .0189 .0017 .0111 .0035 |
|
O8 .1636 .3038 .8471 .0116 .0127 .0144 .0036 .0079 .0006 |
|
O9 .7826 .3452 .7148 .0135 .0108 .0192 .0007 .0133 .0029 |
|
O10 .8280 .0630 .7639 .0098 .0126 .0121 .0027 .0080 .0011 |
|
O11 .6840 .2144 .8542 .0129 .0147 .0117 -.0005 .0103 .0008 |
|
O12 .4512 .1449 .5644 .0075 .0228 .0089 .0003 .0058 .0001 |
|
O13 .2728 .0236 .0080 .0123 .0127 .0105 .0043 .0081 .0019 |
|
O14 .3535 .0736 .7880 .0071 .0167 .0092 .0015 .0058 .0007 |
|
Oh .1332 .2161 .1074 .0133 .0167 .0137 .0043 .0098 .0021 |
|
OW1 .2640 .3600 .5957 .0222 .0174 .0287 .0031 .0100 -.0008 |
|
OW2 .5498 .4905 .8799 .1407 .0357 .0220 .0439 -.0072 -.0054 |
|
OW3 .4024 .4159 .4399 .478 .0234 .0232 .0315 .0102 .0153 .0132 |
|
H1 .025 .281 .064 4.0 |
|
H2 .127 .373 .528 4.0 |
|
H3 .315 .379 .544 4.0 |
|
H4 .640 .433 .950 4.0 |
|
H5 .483 .433 .788 4.0 |
|
H6 .553 .413 .527 .478 4.0 |
|
H7 .348 .466 .363 .478 4.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hilgardite-4M |
|
Ghose S, Wan C |
|
American Mineralogist 64 (1979) 187-195 |
|
Hilgardite, Ca2[B5O9]Cl*H2O: a piezoelectric zeolite-type pentaborate |
|
_database_code_amcsd 0000696 |
|
11.438 11.318 6.318 90 90.06 90 Aa |
|
atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 0 .25023 0 .0107 .0116 .0073 .0005 .0002 -.0007 |
|
Ca2 .27346 .47081 .84144 .0101 .0092 .0061 .0011 .0002 .0012 |
|
Cl .02385 .49169 .90054 .0122 .0123 .0202 .0000 -.0017 -.0013 |
|
B1 .2604 .1951 .6460 .0660 .0059 .0052 -.0001 .0002 .0008 |
|
B2 .2710 .0280 .8833 .0091 .0060 .0067 -.0004 -.0003 .0000 |
|
B3 .2252 .3065 .3208 .0056 .0056 .0051 .0008 -.0002 .0006 |
|
B4 .3361 .2296 .0083 .0061 .0060 .0047 -.0001 -.0001 .0004 |
|
B5 .0602 .2573 .5415 .0051 .0084 .0071 .0007 -.0002 -.0005 |
|
O1 .2668 .0652 .6779 .0160 .0055 .0061 -.0007 -.0002 .0009 |
|
O2 .3458 .2565 .7813 .0069 .0076 .0047 -.0015 -.0012 .0002 |
|
O3 .1411 .2367 .6981 .0052 .0139 .0069 .0022 -.0004 .0007 |
|
O4 .2894 .2121 .4268 .0086 .0070 .0042 .0024 .0002 .0009 |
|
O5 .2953 .1055 .0429 .0167 .0057 .0062 -.0025 -.0007 -.0001 |
|
O6 .4494 .2436 .1134 .0048 .0164 .0069 -.0021 -.0003 -.0001 |
|
O7 .2528 .3138 .0991 .0089 .0084 .0047 .0028 .0012 .0005 |
|
O8 .2479 .4161 .4462 .0168 .0054 .0071 -.0027 -.0003 -.0001 |
|
O9 .0949 .2834 .3389 .0058 .0132 .0067 -.0005 -.0004 .0026 |
|
OW .0101 .0492 .9092 .0283 .0132 .0238 .0025 .0044 .0036 |
|
H1 .034 .026 .789 4.2 |
|
H2 .041 .495 .521 10.3 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Agrellite |
|
Ghose S, Wan C |
|
American Mineralogist 64 (1979) 563-572 |
|
Agrellite, Na(Ca,RE)2Si4O10F: A layer structure with silicate tubes |
|
_database_code_amcsd 0000722 |
|
7.759 18.946 6.986 89.88 116.65 94.32 P-1 |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca1 .99796 .21554 .99620 .853 .0165 .0093 .0090 .0000 .0072 .0025 |
|
Eu1 .99796 .21554 .99620 .147 .0165 .0093 .0090 .0000 .0072 .0025 |
|
Ca2 .54176 .28461 .01966 .978 .0142 .0076 .0083 .0003 .0066 .0018 |
|
Eu2 .54176 .28461 .01966 .022 .0142 .0076 .0083 .0003 .0066 .0018 |
|
Ca3 .45521 .72007 .48010 .993 .0133 .0085 .0089 .0001 .0071 .0021 |
|
Eu3 .45521 .72007 .48010 .007 .0133 .0085 .0089 .0001 .0071 .0021 |
|
Ca4 .00155 .78166 .50022 .985 .0194 .0101 .0124 .0014 .0108 .0027 |
|
Eu4 .00155 .78166 .50022 .015 .0194 .0101 .0124 .0014 .0108 .0027 |
|
Na1 .23539 .99102 .86794 .0151 .0287 .0286 .0005 .0080 .0029 |
|
Na2 .26104 .50234 .13576 .0139 .0370 .0331 -.0003 .0074 .0040 |
|
Si1 .20870 .93103 .35569 .0106 .0069 .0076 .0008 .0051 .0027 |
|
Si2 .30739 .56807 .65542 .0105 .0070 .0083 .0012 .0054 .0028 |
|
Si3 .48573 .87795 .21377 .0108 .0082 .0063 -.0001 .0056 .0020 |
|
Si4 .02460 .61933 .79397 .0093 .0078 .0074 .0000 .0046 .0018 |
|
Si5 .16705 .08998 .33394 .0092 .0077 .0074 .0005 .0048 .0023 |
|
Si6 .67404 .59022 .34109 .0087 .0070 .0085 .0006 .0045 .0021 |
|
Si7 .48619 .87771 .77347 .0107 .0075 .0068 -.0-04 .0055 .0021 |
|
Si8 .02139 .61974 .23430 .0094 .0081 .0067 .0002 .0050 .0023 |
|
F1 .7607 .7610 .1268 .0170 .0243 .0423 -.0002 .0117 .0082 |
|
F2 .2353 .2451 .3595 .0180 .0223 .0356 -.0003 .0069 .0003 |
|
O1 .3453 .9351 .6138 .0167 .0117 .0079 .0008 .0032 .0029 |
|
O2 .1641 .5639 .3974 .0170 .0111 .0085 .0035 .0028 .0038 |
|
O3 .1028 .0048 .3023 .0143 .0077 .0122 .0019 .0076 .0029 |
|
O4 .5891 .5065 .2960 .0107 .0066 .0148 .0013 .0058 .0026 |
|
O5 .3483 .9352 .2356 .0182 .0115 .0153 .0024 .0135 .0024 |
|
O6 .1722 .5640 .7804 .0155 .0124 .0176 .0038 .0131 .0028 |
|
O7 .0620 .8634 .2822 .0163 .0109 .0141 -.0014 .0096 .0011 |
|
O8 .4543 .6355 .7256 .0136 .0098 .0106 -.0012 .0064 .0019 |
|
O9 .3938 .7990 .1901 .0192 .0087 .0078 -.0028 .0090 .0003 |
|
O10 .1102 .6991 .8169 .0126 .0091 .0176 .0000 .0058 .0034 |
|
O11 .5130 .9064 .0072 .0177 .0105 .0074 -.0015 .0082 .0021 |
|
O12 .9958 .5913 .0012 .0172 .0161 .0091 -.0005 .0084 .0003 |
|
O13 .7013 .8924 .4117 .0140 .0210 .0107 -.0008 .0033 -.0011 |
|
O14 .8136 .6001 .5964 .0143 .0179 .0096 .0006 .0020 -.0008 |
|
O15 .9743 .1295 .2368 .0114 .0113 .0130 .0045 .0060 .0061 |
|
O16 .4984 .6382 .2562 .0133 .0113 .0103 .0053 .0048 .0042 |
|
O17 .7019 .8922 .7911 .0153 .0215 .0147 .0004 .0108 .0045 |
|
O18 .8079 .6032 .2180 .0136 .0178 .0203 .0005 .0123 .0062 |
|
O19 .3947 .7986 .7067 .0193 .0077 .0119 .0002 .0092 .0012 |
|
O20 .1082 .6993 .2962 .0128 .0080 .0143 -.0024 .0060 .0012 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hilgardite-3A |
|
Wan C, Ghose S |
|
American Mineralogist 68 (1983) 604-613 |
|
Parahilgardite, Ca6[B5O9]3Cl3*3H2O: a triclinic piezoelectric |
|
zeolite-type pentaborate |
|
_database_code_amcsd 0000901 |
|
17.495 6.487 6.313 60.77 79.56 83.96 P1 |
|
atom x y z Biso |
|
Ca1 0 0 0 0.81 |
|
Ca2 .18463 .56531 .96931 0.81 |
|
Ca3 .33334 .00002 .33482 0.86 |
|
Ca4 .51576 .43129 .86912 0.77 |
|
Ca5 .66644 .98093 .67773 0.83 |
|
Ca6 .84599 .52972 .65317 0.86 |
|
Cl1 .02582 .52911 .11807 1.24 |
|
Cl2 .35067 .48145 .98505 1.19 |
|
Cl3 .68142 .49631 .81316 1.13 |
|
B1 .0405 .0022 .5211 0.61 |
|
B2 .1506 .8968 .2989 0.48 |
|
B3 .1743 .1188 .5017 0.53 |
|
B4 .2246 .0452 .8756 0.50 |
|
B5 .1820 .4510 .5692 0.63 |
|
B6 .3739 .0113 .8501 0.59 |
|
B7 .4838 .1049 .5276 0.51 |
|
B8 .5074 .8812 .9527 0.54 |
|
B9 .5577 .9458 .2570 0.42 |
|
B10 .5139 .5458 .3556 0.59 |
|
B11 .7071 .9615 .2081 0.57 |
|
B12 .8178 .8571 .9856 0.53 |
|
B13 .8399 .0793 .1890 0.53 |
|
B14 .8905 .0108 .5597 0.48 |
|
B15 .8459 .4128 .2559 0.65 |
|
O1 .0939 .0491 .6294 0.82 |
|
O2 .9667 .9929 .6355 0.89 |
|
O3 .0643 .9485 .3344 0.90 |
|
O4 .1643 .6742 .5304 0.90 |
|
O5 .1698 .8790 .0782 0.63 |
|
O6 .1938 .0804 .2928 0.63 |
|
O7 .1810 .3785 .4005 0.80 |
|
O8 .2304 .9903 .6739 0.59 |
|
O9 .1971 .2945 .8002 0.79 |
|
O10 .3002 .0133 .9585 0.86 |
|
O11 .4280 .9680 .0024 0.77 |
|
O12 .3972 .0630 .6094 0.71 |
|
O13 .5266 .9151 .7072 0.58 |
|
O14 .5027 .1199 .2894 0.61 |
|
O15 .4983 .3237 .5374 0.78 |
|
O16 .5641 .0003 .0002 0.56 |
|
O17 .5116 .6203 .1134 0.75 |
|
O18 .6331 .9677 .3137 0.86 |
|
O19 .5301 .7001 .4295 0.79 |
|
O20 .7608 .9967 .3225 0.80 |
|
O21 .7307 .9087 .0199 0.86 |
|
O22 .8324 .6387 .2141 0.82 |
|
O23 .8376 .8386 .7649 0.64 |
|
O24 .8595 .0452 .9769 0.62 |
|
O25 .8428 .3400 .0883 0.78 |
|
O26 .8975 .9576 .3562 0.56 |
|
O27 .8595 .2559 .4884 0.77 |
|
OW1 -.0138 .4338 .6971 1.81 |
|
OW2 .3392 .5966 .4420 1.61 |
|
OW3 .6725 .3833 .3809 1.73 |
|
H1 .008 .460 .527 5.49 |
|
H2 .001 .501 .798 4.14 |
|
H3 .330 .575 .302 6.15 |
|
H4 .355 .485 .597 5.01 |
|
H5 .679 .409 .214 4.24 |
|
H6 .680 .489 .455 5.08 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaNiSi2O6 |
| |
Ghose S, Wan C, Okamura F P |
|
American Mineralogist 72 (1987) 375-381 |
|
Crystal structures of CaNiSi2O6 and CaCoSi2O6 and some crystal-chemical |
|
relations in C2/c clinopyroxenes |
|
_database_code_amcsd 0001073 |
|
9.734 8.891 5.228 90 105.87 90 C2/c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ni1 0 .90911 .25 .00103 .00115 .00314 0 .00072 0 |
|
Ca2 0 .29816 .25 .00196 .00185 .00438 0 .00028 0 |
|
SiT .28733 .09298 .22752 .00095 .00110 .00343 .00006 .00088 -.00001 |
|
O1 .1153 .0861 .1414 .00138 .00175 .00490 .00004 .00113 .00009 |
|
O2 .3603 .2508 .3188 .00199 .00147 .00562 -.00021 .00075 -.00005 |
|
O3 .3514 .0191 -.0081 .00145 .00194 .00442 .00007 .00112 -.00073 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaCoSi2O6 |
| |
Ghose S, Wan C, Okamura F P |
|
American Mineralogist 72 (1987) 375-381 |
|
Crystal structures of CaNiSi2O6 and CaCoSi2O6 and some crystal-chemical |
|
relations in C2/c clinopyroxenes |
|
_database_code_amcsd 0001074 |
|
9.806 8.950 5.243 90 105.45 90 C2/c |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Co1 0 .90750 .25 .00136 .00142 .00415 0 .00045 0 |
|
Ca2 0 .29907 .25 .00227 .00210 .00551 0 .00000 0 |
|
SiT .28727 .09262 .23080 .00113 .00129 .00398 -.00007 .00057 -.00009 |
|
O1 .1176 .0881 .1473 .00128 .00209 .00580 .00001 .00070 .00017 |
|
O2 .3613 .2487 .3222 .00255 .00161 .00768 -.00065 .00105 -.00026 |
|
O3 .3508 .0192 -.0061 .00156 .00226 .00538 -.00003 .00090 -.00116 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Petarasite |
|
Ghose S, Wan C, Chao G Y |
|
The Canadian Mineralogist 18 (1980) 503-509 |
|
Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate |
|
_database_code_amcsd 0005181 |
|
10.7956 14.4928 6.6229 90 113.214 90 P2_1/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na1 .53703 .11999 .94377 .010387 .003202 .021256 .002069 .007824 .002806 |
|
Na2 .96816 .11801 .04734 .010159 .002535 .015116 -.001565 .004223 -.000992 |
|
Na3 .75350 .25 .53730 .8 .006044 .000833 .010932 .000000 .009480 .000000 |
|
Ca3 .75350 .25 .53730 .2 .006044 .000833 .010932 .000000 .009480 .000000 |
|
Zr .75341 .01483 .50974 .001575 .000179 .002632 -.000035 .001449 -.000085 |
|
Si1 .04177 .14185 .59651 .001803 .000214 .003509 .000087 .001283 .000028 |
|
Si2 .25281 .05076 .99330 .002006 .000595 .002429 .000070 .000952 -.000057 |
|
Si3 .46055 .14000 .39881 .001549 .000262 .004791 -.000122 .001449 -.000142 |
|
O1 .05903 .25 .54621 .003860 .000512 .010864 .000000 .004057 .000000 |
|
O2 .89046 .12341 .57443 .002667 .000869 .015453 -.000348 .003850 -.000879 |
|
O3 .09220 .07970 .44176 .003073 .000678 .004994 .000817 .002111 .000482 |
|
O4 .13872 .12679 .85457 .006883 .001785 .004859 .002486 .001863 .000255 |
|
O5 .80161 .00514 .84919 .003962 .001524 .004049 -.001008 .002235 -.000397 |
|
O6 .70604 .01230 .17083 .004267 .001345 .004454 .000765 .002856 .000000 |
|
O7 .38504 .11045 .14028 .005410 .001892 .005398 -.000052 .002360 -.000765 |
|
O8 .61709 .12247 .46523 .002083 .000726 .015183 .000452 .003022 .000170 |
|
O9 .43210 .25 .41461 .003098 .000690 .015385 .000000 .002815 .000000 |
|
O10 .39821 .08351 .54458 .003302 .000833 .007220 -.001008 .002898 -.000453 |
|
Wat1 .10237 .25 .16018 .014603 .003107 .026587 .000000 .012751 .000000 |
|
Wat2 .39241 .25 .82389 .010133 .001726 .019097 .000000 .008735 .000000 |
|
Cl .75124 .25 .00521 .75 .008940 .002107 .029354 .000000 .006789 .000000 |
|
OH1 .86880 .25 -.02220 .25 2.34 |
|
OH2 .70151 .25 .11946 .12 1.98 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bellingerite |
|
Ghose S, Wan C |
 |
Acta Crystallographica B30 (1974) 965-974 |
|
Structural chemistry of copper and zinc minerals. II. Stereochemistry |
|
of copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O |
|
Locality: Chuquicamata, Chile |
|
_database_code_amcsd 0009503 |
|
7.2560 7.9503 7.8559 105.096 92.945 96.952 P-1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 0 0 0 .00772 .00691 .00577 .00258 .00087 .00090 |
|
Cu2 .39635 .57637 .35154 .00819 .00554 .00637 .00192 .00272 .00236 |
|
I1 .60934 .13645 .86911 .00685 .00451 .00498 .00092 .00151 .00145 |
|
I2 .85790 .15515 .39779 .00679 .00498 .00558 .00089 .00157 .00132 |
|
I3 .18703 .40381 .85862 .00643 .00595 .00553 .00109 .00139 .00066 |
|
O1 .52811 .08006 .19016 .01005 .00561 .00712 .00020 .00023 .00149 |
|
O2 .57102 .17900 .65384 .00976 .00572 .00658 .00112 .00040 .00176 |
|
O3 .83655 .06418 .83178 .00682 .01142 .00739 .00329 .00205 .00259 |
|
O4 .79211 .37298 .48187 .00912 .00664 .00949 .00277 .00448 .00223 |
|
O5 .08512 .18993 .51917 .01085 .00642 .00702 .00031 .00147 .00125 |
|
O6 .92966 .19106 .18930 .00856 .00829 .00622 .00147 .00262 .00215 |
|
O7 .41073 .49592 .80969 .00753 .00840 .00913 .00132 .00476 .00303 |
|
O8 .80763 .45422 .91725 .00731 .00789 .00555 .00087 .00247 .00048 |
|
O9 .24170 .20405 .90261 .01044 .00715 .00920 .00047 .00239 .00302 |
|
Wat10 .37102 .34132 .38730 .00936 .00550 .00904 .00069 .00299 .00206 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Garrelsite |
|
Ghose S, Wan C, Ulbrich H H |
|
Acta Crystallographica B32 (1976) 824-832 |
|
Structural chemistry of borosilicates. I. Garrelsite, NaBa3Si2B7O16(OH)4, a |
|
silicoborate with the pentaborate [B5O12]9- polyanion |
|
Locality: South Ouray, Utah |
|
_database_code_amcsd 0009552 |
|
14.639 8.466 13.438 90 114.21 90 C2/c |
|
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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Na .25 -.25 .5 1.165 .00114 .00523 .00195 -.00052 .00060 -.00018 |
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Ba1 0 .59316 .25 .682 .00080 .00225 .00121 0 .00025 0 |
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Ba2 .20878 .06623 .69714 .603 .00098 .00191 .00100 -.00020 .00047 -.00006 |
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Si .36481 .10344 .49211 .403 |
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B1 .44136 -.18705 .46699 .495 .00074 .00151 .00096 -.00005 .00043 -.00011 |
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B2 .15777 .15868 .38052 .457 .00064 .00171 .00073 -.00003 .00030 .00019 |
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B3 .08095 -.05896 .44539 .557 .00067 .00187 .00111 -.00002 .00037 -.00004 |
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B4 0 .01509 .25 .474 |
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O1 .04806 .31989 .53726 .630 .00050 .00278 .00119 -.00024 .00029 .00027 |
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O2 .38512 -.08553 .51380 .603 .00106 .00137 .00138 .00025 .00078 .00013 |
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O3 .09432 -.14939 .53367 .607 .00120 .00140 .00075 -.00047 .00023 .00009 |
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O4 .01130 -.09158 .34249 .610 .00091 .00177 .00094 -.00036 .00021 .00019 |
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O5 .35920 .17100 .60324 .595 .00108 .00156 .00108 .00002 .00057 -.00022 |
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O6 .14845 .06169 .46626 .629 .00104 .00228 .00081 -.00074 .00038 .00002 |
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O7 .23914 .36016 .61444 .559 .00044 .00282 .00086 .00016 .00020 .00010 |
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O8 .09008 .10786 .27316 .521 .00053 .00216 .00086 -.00044 .00019 -.00012 |
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OH1 .18539 -.30397 .31420 .533 .00061 .00241 .00082 -.00007 .00032 .00028 |
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OH2 .41549 -.13809 .35321 .651 .00120 .00214 .00084 .00012 .00046 .00022 |
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Lautarite |
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Ghose S, Wan C |
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Acta Crystallographica B34 (1978) 84-88 |
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The crystal structure of synthetic lautarite, Ca(IO3)2 |
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Locality: synthetic |
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Note: Biso(O1) corrected |
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_database_code_amcsd 0009623 |
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7.1432 11.297 7.2804 90 106.35 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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Ca .77440 .09843 .00640 .715 .00383 .00137 .00404 .00042 .00165 .00011 |
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I1 .23138 .07390 .46486 .686 .00467 .00113 .00349 -.00011 .00182 -.00014 |
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I2 .76040 .28536 .44618 .643 .00404 .00112 .00340 -.00005 .00158 .00018 |
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O1 -.02904 .09112 .34813 1.247 .00603 .00269 .00583 .00046 .00083 -.00086 |
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O2 .30628 -.03936 .32746 1.328 .01054 .00197 .00499 .00141 .00199 -.00141 |
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O3 .32176 .20510 .37796 1.365 .00970 .00153 .00944 -.00086 .00569 -.00020 |
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O4 .65225 .24528 .19753 1.302 .00783 .00301 .00475 .00068 .00198 -.00070 |
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O5 .93334 .39066 .40685 1.553 .00597 .00295 .00972 -.00134 .00105 .00251 |
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O6 .59174 .39804 .47438 1.057 .00658 .00144 .00698 .00084 .00327 -.00033 |
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| Download AMC data (View Text File)
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Bayldonite |
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Ghose S, Wan C |
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Acta Crystallographica B35 (1979) 819-823 |
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Structural chemistry of copper and zinc minerals. VI. Bayldonite, |
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(Cu,Zn)3Pb(AsO4)2(OH)2: A complex layer structure |
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Locality: Tsumeb, S.W. Africa |
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_database_code_amcsd 0009665 |
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10.147 5.892 14.081 90 106.05 90 C2/c |
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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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Cu1 0 0 0 .66 .00259 .00180 .00090 .00045 .00015 -.00024 |
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Cu2 .5 0 0 .55 .00211 .00270 .00081 -.00097 .00075 -.00038 |
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Cu3 .25 .25 .5 .58 .00172 .00451 .00064 .00060 .00003 .00000 |
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Pb 0 .2698 .25 1.19 .00520 .00711 .00068 .00000 .00032 .00000 |
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As .2974 .2164 .1405 .40 .00182 .00243 .00032 -.00019 .00040 -.00014 |
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O1 .3672 .4590 .1179 .70 .00131 .00553 .00113 .00044 .00032 -.00018 |
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O2 .1419 .4986 .4174 .69 .00203 .00628 .00067 .00070 .00056 .00045 |
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O3 .1215 .2212 .0971 .96 .00227 .00672 .00160 -.00126 .00080 -.00206 |
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O4 .3413 .1260 .2578 1.40 .00930 .00419 .00014 .00339 .00104 .00129 |
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Oh5 .3960 .2487 .4373 .39 .00259 .00079 .00012 -.00094 .00031 -.00013 |
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H .380 .109 .354 2.5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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