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Hilgardite |
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Ghose S, Wan C |
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American Mineralogist 64 (1979) 187-195 |
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Hilgardite, Ca2[B5O9]Cl*H2O: a piezoelectric zeolite-type pentaborate |
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Note: polytype Hilgardite-4M |
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Locality: Choctow Salt Dome, Iberville Parish, Louisiana, USA |
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_database_code_amcsd 0000696 |
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11.438 11.318 6.318 90 90.06 90 Aa |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 0 .25023 0 .0107 .0116 .0073 .0005 .0002 -.0007 |
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Ca2 .27346 .47081 .84144 .0101 .0092 .0061 .0011 .0002 .0012 |
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Cl .02385 .49169 .90054 .0122 .0123 .0202 .0000 -.0017 -.0013 |
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B1 .2604 .1951 .6460 .0660 .0059 .0052 -.0001 .0002 .0008 |
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B2 .2710 .0280 .8833 .0091 .0060 .0067 -.0004 -.0003 .0000 |
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B3 .2252 .3065 .3208 .0056 .0056 .0051 .0008 -.0002 .0006 |
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B4 .3361 .2296 .0083 .0061 .0060 .0047 -.0001 -.0001 .0004 |
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B5 .0602 .2573 .5415 .0051 .0084 .0071 .0007 -.0002 -.0005 |
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O1 .2668 .0652 .6779 .0160 .0055 .0061 -.0007 -.0002 .0009 |
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O2 .3458 .2565 .7813 .0069 .0076 .0047 -.0015 -.0012 .0002 |
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O3 .1411 .2367 .6981 .0052 .0139 .0069 .0022 -.0004 .0007 |
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O4 .2894 .2121 .4268 .0086 .0070 .0042 .0024 .0002 .0009 |
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O5 .2953 .1055 .0429 .0167 .0057 .0062 -.0025 -.0007 -.0001 |
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O6 .4494 .2436 .1134 .0048 .0164 .0069 -.0021 -.0003 -.0001 |
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O7 .2528 .3138 .0991 .0089 .0084 .0047 .0028 .0012 .0005 |
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O8 .2479 .4161 .4462 .0168 .0054 .0071 -.0027 -.0003 -.0001 |
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O9 .0949 .2834 .3389 .0058 .0132 .0067 -.0005 -.0004 .0026 |
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OW .0101 .0492 .9092 .0283 .0132 .0238 .0025 .0044 .0036 |
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H1 .034 .026 .789 4.2 |
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H2 .041 .495 .521 10.3 |
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| Download AMC data (View Text File)
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Hilgardite |
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Wan C, Ghose S |
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American Mineralogist 68 (1983) 604-613 |
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Parahilgardite, Ca6[B5O9]3Cl3*3H2O: a triclinic piezoelectric |
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zeolite-type pentaborate |
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Note: polytype Hilgardite-3A |
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Locality: Iberville Parish, Louisiana, USA |
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_database_code_amcsd 0000901 |
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17.495 6.487 6.313 60.77 79.56 83.96 P1 |
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atom x y z Biso |
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Ca1 0 0 0 0.81 |
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Ca2 .18463 .56531 .96931 0.81 |
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Ca3 .33334 .00002 .33482 0.86 |
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Ca4 .51576 .43129 .86912 0.77 |
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Ca5 .66644 .98093 .67773 0.83 |
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Ca6 .84599 .52972 .65317 0.86 |
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Cl1 .02582 .52911 .11807 1.24 |
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Cl2 .35067 .48145 .98505 1.19 |
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Cl3 .68142 .49631 .81316 1.13 |
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B1 .0405 .0022 .5211 0.61 |
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B2 .1506 .8968 .2989 0.48 |
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B3 .1743 .1188 .5017 0.53 |
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B4 .2246 .0452 .8756 0.50 |
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B5 .1820 .4510 .5692 0.63 |
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B6 .3739 .0113 .8501 0.59 |
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B7 .4838 .1049 .5276 0.51 |
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B8 .5074 .8812 .9527 0.54 |
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B9 .5577 .9458 .2570 0.42 |
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B10 .5139 .5458 .3556 0.59 |
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B11 .7071 .9615 .2081 0.57 |
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B12 .8178 .8571 .9856 0.53 |
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B13 .8399 .0793 .1890 0.53 |
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B14 .8905 .0108 .5597 0.48 |
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B15 .8459 .4128 .2559 0.65 |
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O1 .0939 .0491 .6294 0.82 |
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O2 .9667 .9929 .6355 0.89 |
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O3 .0643 .9485 .3344 0.90 |
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O4 .1643 .6742 .5304 0.90 |
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O5 .1698 .8790 .0782 0.63 |
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O6 .1938 .0804 .2928 0.63 |
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O7 .1810 .3785 .4005 0.80 |
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O8 .2304 .9903 .6739 0.59 |
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O9 .1971 .2945 .8002 0.79 |
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O10 .3002 .0133 .9585 0.86 |
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O11 .4280 .9680 .0024 0.77 |
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O12 .3972 .0630 .6094 0.71 |
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O13 .5266 .9151 .7072 0.58 |
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O14 .5027 .1199 .2894 0.61 |
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O15 .4983 .3237 .5374 0.78 |
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O16 .5641 .0003 .0002 0.56 |
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O17 .5116 .6203 .1134 0.75 |
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O18 .6331 .9677 .3137 0.86 |
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O19 .5301 .7001 .4295 0.79 |
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O20 .7608 .9967 .3225 0.80 |
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O21 .7307 .9087 .0199 0.86 |
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O22 .8324 .6387 .2141 0.82 |
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O23 .8376 .8386 .7649 0.64 |
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O24 .8595 .0452 .9769 0.62 |
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O25 .8428 .3400 .0883 0.78 |
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O26 .8975 .9576 .3562 0.56 |
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O27 .8595 .2559 .4884 0.77 |
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OW1 -.0138 .4338 .6971 1.81 |
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OW2 .3392 .5966 .4420 1.61 |
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OW3 .6725 .3833 .3809 1.73 |
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H1 .008 .460 .527 5.49 |
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H2 .001 .501 .798 4.14 |
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H3 .330 .575 .302 6.15 |
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H4 .355 .485 .597 5.01 |
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H5 .679 .409 .214 4.24 |
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H6 .680 .489 .455 5.08 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Hilgardite |
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Burns P C, Hawthorne F C |
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Acta Crystallographica C50 (1994) 653-655 |
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Refinement of the structure of hilgardite-1A |
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Note: polytype Hilgardite-1A |
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Locality: Penobsquis potash deposit, Sussex, New Brunswick |
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_database_code_amcsd 0010290 |
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6.452 6.559 6.286 61.60 118.72 105.86 P1 |
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atom x y z Uiso |
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Cal 0 0 0 .0088 |
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Ca2 .4524 .5484 .1099 .0099 |
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B1 .4741 .8707 .4713 .0047 |
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B2 .3306 .0909 .6016 .0050 |
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B3 .5515 .0245 .0713 .0062 |
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B4 .8823 .0030 .4837 .0074 |
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B5 .4476 .4211 .7138 .0072 |
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O2 .4477 .6424 .6750 .0091 |
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O3 .7221 .9630 .5849 .0080 |
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O4 .4205 .8525 .2258 .0062 |
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O5 .3081 .0276 .4028 .0066 |
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O6 .1080 .0518 .6372 .0096 |
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O7 .3946 .3499 .5194 .0087 |
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O8 .5119 .9652 .8620 .0062 |
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O9 .8105 .0102 .2380 .0092 |
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O10 .4851 .2634 .9706 .0079 |
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Cl .9796 .4730 .8121 .0155 |
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Wat .8862 .5813 .2218 .0213 |
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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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Hilgardite |
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Rumanova I M, Iorysh Z I, Belov N V |
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Soviet Physics Doklady 22 (1977) 460-462 |
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Crystal structure of triclinic chilgardite Ca2[B5O9]Cl*H2O = |
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Ca2[B3+-B2deltaO9]Cl*H2O |
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Note: polytype hilgardite-1A |
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Locality: not given |
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_database_code_amcsd 0015604 |
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6.463 6.564 6.302 61.63 118.77 105.78 P1 |
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atom x y z Biso |
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Ca1 0 0 0 1.28 |
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Ca2 .5462 .4527 -.1125 1.31 |
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B1 .5258 .1280 .5313 .78 |
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B2 .6678 -.0893 .3964 .91 |
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B3 .4459 -.0233 -.0714 .97 |
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B4 .1183 -.0048 .5198 .94 |
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B5 .5524 .5777 .2896 .92 |
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O2 .5523 .3567 .3259 1.22 |
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O3 .2773 .0372 .4160 1.2 |
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O4 .5786 .1456 .7750 1.0 |
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O5 .6913 -.0292 .5987 1.08 |
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O6 .8914 -.0513 .3639 1.3 |
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O7 .6073 .6489 .4823 1.22 |
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O8 .4914 .0329 .1418 1.11 |
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O9 .1904 -.0131 -.2364 1.23 |
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O10 .5150 .7361 .0306 1.21 |
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Cl .0214 .5265 .1924 1.68 |
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Wat .1107 .4169 -.2212 2.02 |
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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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