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