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Pringleite |
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Grice J D, Burns P C, Hawthorne F C |
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The Canadian Mineralogist 32 (1994) 1-14 |
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Determination of the megastructures of the borate polymorphs pringleite and |
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ruitenbergite |
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Note: Cell angles modified by Grice, June 2002 |
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_database_code_amcsd 0005341 |
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12.746 13.019 9.693 102.24 102.10 85.61 P1 |
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atom x y z Uiso |
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Ca1 0 0 0 .10 |
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Ca2 .6993 .3050 .8019 .11 |
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Ca3 .7648 .8770 .3976 .11 |
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Ca4 .1967 .8075 .7980 .10 |
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Ca5 .5658 .0705 .1942 .09 |
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Ca6 .0641 .5644 .1807 .11 |
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Ca7 .2679 .3822 .3988 .12 |
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Ca8 .5001 .4987 .9941 .11 |
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Ca9 .5350 .8586 .7293 .18 |
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B1 .0048 .7343 .4952 .10 |
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B2 .9152 .8006 .1347 .09 |
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B3 .2860 .0339 .0667 .09 |
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B4 .5141 .7989 .1497 .07 |
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B5 .7864 .5297 .0606 .08 |
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B6 .3571 .5832 .6933 .10 |
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B7 .2613 .6437 .0342 .08 |
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B8 .8506 .0764 .6984 .11 |
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B9 .5026 .2331 .4974 .14 |
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B10 .7683 .1483 .0546 .09 |
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B11 .0154 .2947 .1535 .15 |
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B12 .4141 .2996 .1322 .11 |
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B13 .4174 .9043 .9719 .11 |
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B14 .9042 .2068 .9322 .11 |
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B15 .0802 .7379 .0132 .06 |
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B16 .3634 .1774 .2743 .11 |
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B17 .8665 .6733 .2718 .12 |
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B18 .6805 .1324 .5243 .14 |
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B19 .8234 .9799 .1643 .11 |
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B20 .3177 .4768 .1459 .11 |
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B21 .9207 .3997 .9744 .09 |
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B22 .4043 .7087 .9286 .09 |
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B23 .5859 .2403 .0278 .17 |
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B24 .4526 .4052 .6680 .14 |
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B25 .1905 .6433 .5156 .10 |
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B26 .9403 .8947 .6733 .07 |
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O1 .9724 .6688 .3661 .11 |
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O2 .9372 .8130 .5430 .11 |
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O3 .1082 .7206 .5661 .14 |
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O4 .9923 .7301 .0886 .13 |
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O5 .8964 .8968 .0993 .12 |
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O6 .8519 .7717 .2174 .13 |
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O7 .3668 .0842 .1601 .14 |
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O8 .4959 .2323 .0971 .13 |
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O9 .3066 .9416 .9764 .14 |
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O10 .4887 .7066 .0574 .13 |
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O11 .3512 .2744 .2190 .11 |
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O12 .4809 .8948 .1174 .10 |
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O13 .8061 .4405 .9710 .11 |
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O14 .8683 .5824 .1562 .11 |
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O15 .4121 .8049 .8712 .08 |
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O16 .2749 .6496 .6442 .13 |
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O17 .3803 .4882 .6107 .10 |
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O18 .4229 .6133 .8244 .09 |
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O19 .2984 .7109 .9629 .10 |
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O20 .3262 .5593 .0662 .13 |
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O21 .1623 .6618 .0656 .10 |
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O22 .9179 .1077 .8315 .11 |
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O23 .8677 .9791 .6182 .11 |
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O24 .7666 .1402 .6551 .13 |
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O25 .5994 .2087 .5797 .10 |
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O26 .4685 .1679 .3691 .11 |
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O27 .4411 .3190 .5408 .14 |
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O28 .8322 .0659 .0893 .11 |
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O29 .7986 .2107 .9744 .12 |
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O30 .6679 .1683 .0902 .13 |
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O31 .9918 .2011 .0608 .10 |
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O32 .9130 .2966 .8741 .09 |
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O33 .9728 .3884 .1240 .14 |
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O34 .3931 .3931 .0909 .10 |
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Oh1 .1789 .0684 .0502 .23 |
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Oh2 .5811 .7988 .2826 .18 |
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OH3 .4738 .9804 .9255 .15 |
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OH4 .6818 .5692 .0550 .19 |
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OH5 .0884 .2956 .2800 .19 |
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OH6 .0487 .7129 .8545 .15 |
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Oh7 .1175 .8455 .0338 .12 |
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OH8 .2751 .1812 .3496 .13 |
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Oh9 .7747 .6794 .3414 .16 |
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Oh10 .7143 .1635 .4023 .16 |
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Oh11 .6439 .0258 .4606 .15 |
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Oh12 .7128 .9458 .1463 .12 |
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Oh13 .8641 .0082 .3189 .16 |
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Oh14 .3584 .5126 .3018 .19 |
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Oh15 .2079 .4428 .1318 .18 |
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Oh16 .9837 .4758 .9405 .14 |
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Oh17 .5631 .2010 .8721 .16 |
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OH18 .6200 .3492 .0507 .16 |
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Oh19 .4171 .3774 .7902 .15 |
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Oh20 .5613 .4350 .7344 .13 |
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Oh21 .1492 .5356 .4515 .14 |
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Oh22 .2247 .6680 .3911 .30 |
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OH23 .8919 .8640 .7823 .15 |
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Oh24 .0481 .9317 .7473 .16 |
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Cl1 .2625 .8958 .3347 .36 |
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Cl2 .6698 .5720 .5622 .33 |
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Cl3 .9830 .4870 .6205 .38 |
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Cl4 .3180 .1373 .7214 .45 |
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OW1 .6974 .8161 .6108 .20 |
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OW2 .1951 .3378 .5948 .34 |
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OW3 .0640 .0569 .2731 .30 |
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OW4 .2580 .9088 .6525 .47 |
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OW5 .7743 .3614 .6187 .27 |
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OW6 .6508 .7708 .9021 .26 |
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OW7 .4626 .7240 .5410 .34 |
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OW8 .6507 .0049 .7977 .31 |
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OW9 .4667 .9714 .5591 .30 |
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OW10 .5476 .5654 .2570 .24 |
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OW11 .8207 .6516 .8498 .32 |
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OW12 .7978 .4026 .2941 .54 |
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OW13 .1485 .2867 .8894 .63 |
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H1 .1756 .0984 .9947 .30 |
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H2 -.4104 .7422 .3025 .30 |
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H7 .1238 .8616 .1142 .30 |
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H9 -.2226 .6534 .4010 .30 |
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H10 -.2526 .2086 .4257 .30 |
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H11 -.3991 .9996 .5130 .30 |
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H12 .6946 .9133 .0691 .30 |
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H13 -.1561 .0720 .3616 .30 |
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H14 .3413 .5801 .3502 .30 |
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H15 .1852 .3944 .0531 .30 |
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H16 -.0159 .4716 .8509 .30 |
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H17 -.4986 .2285 .8229 .30 |
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H19 .3608 .3638 .7703 .30 |
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H20 -.4198 .4831 .6951 .30 |
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H21 .1261 .5147 .5121 .30 |
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H22 .2721 .6970 .4234 .30 |
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H24 .0740 .9660 .7111 .30 |
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HW1 .6928 .7351 .5906 .30 |
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HW1* -.2591 .8167 .6590 .30 |
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HW2 .1576 .3375 .6514 .30 |
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HW3 .0255 .0590 .2779 .30 |
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HW5 -.1699 .3874 .6123 .30 |
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HW5* -.2461 .4080 .5482 .30 |
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HW7 .4957 .6571 .5355 .30 |
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HW9 .4330 .9688 .5004 .30 |
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HW10 .5923 .5645 .3039 .30 |
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HW13 -.0277 .0459 .3289 .30 |
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HW13* .0938 .2854 .8609 .30 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
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