Ulexite Ghose S, Wan C, Clark J R American Mineralogist 63 (1978) 160-171 Ulexite, NaCaB5O6(OH)6*5H2O: Structure refinement, polyanion configuration, hydrogen bonding, and fiber optics _database_code_amcsd 0000611 8.816 12.870 6.678 90.36 109.05 104.98 P-1 atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca .1422 .0256 .3042 .0115 .0103 .0125 .0020 .00170 -.0003 Na .4774 .5015 .2438 .0316 .0235 .0266 .0100 .00960 .0012 B1 .0506 .2002 .6685 .0120 .0120 .0150 .0056 .00160 .0009 B2 .3464 .2700 .8995 .0130 .0130 .0130 .0040 .00270 .0007 B3 -.1891 .2240 .7821 .0150 .0150 .0160 .0070 .00400 -.0009 B4 .2344 .0737 .7834 .0130 .0110 .0150 .0050 .00370 .0021 B5 -.1737 .2697 .4276 .0150 .0150 .0130 .0060 .00210 -.0005 O1 .1985 .2890 .7929 .0123 .0107 .0219 .0043 -.0005 -.0012 O2 .1024 .1066 .6208 .0111 .0121 .0118 .0057 .00110 -.0008 O3 -.0289 .2424 .4664 .0138 .0180 .0141 .0087 .00390 .0044 O4 -.0650 .1677 .7840 .0147 .0152 .0146 .0082 .00640 .0030 O5 .3701 .1692 .9112 .0123 .0114 .0170 .0036 .00250 .0007 O6 -.2591 .2602 .5667 .0160 .0280 .0122 .0134 .00310 .0011 Oh1 .2992 .0085 .6683 .0158 .0195 .0194 .0100 .00500 -.0008 Oh2 -.1132 .3228 .9369 .0227 .0131 .0152 .0074 .00230 -.0009 Oh3 .1580 .0068 .9265 .0153 .0126 .0175 .0059 .00370 .0028 Oh4 -.3183 .1469 .8361 .0200 .0163 .0390 .0046 .01670 -.0002 Oh5 .4776 .3597 .0025 .0136 .0124 .0211 .0033 -.0017 -.0004 Oh6 -.2383 .3130 .2405 .0240 .0350 .0128 .0202 .00520 .0056 OW1 .1462 .2106 .2240 .0205 .0220 .0196 .0105 .00640 .0031 OW2 .4293 .1021 .3302 .0180 .0290 .0260 .0001 .00070 .0018 OW3 .4707 .3586 .4870 .0240 .0220 .0310 .0079 .00670 -.0028 OW4 .1925 .4794 .1850 .0280 .0220 .0340 .0040 .00100 .0000 OW5 .2252 .4765 .6107 .0400 .0170 .0410 .0080 .01300 .0054 H1 .397 .022 .698 .025 H2 -.134 .373 .878 .03 H3 .193 -.045 .975 .029 H4 -.379 .169 .872 .03 H5 .555 .342 .078 .04 H6 -.189 .313 .147 .04 H7 .086 .230 .285 .024 H8 .092 .218 .088 .09 H9 .439 .127 .229 .07 H10 .513 .134 .418 .04 H11 .392 .316 .421 .04 H12 .555 .335 .513 .04 H13 .120 .431 .113 .06 H14 .192 .473 .294 .03 H15 .202 .422 .664 .05 H16 .191 .521 .662 .05