CaB8O11(OH)4 Wiggin S B, Weller M T Acta Crystallographica E61 (2005) i243-i245 Redetermination of CaB8O11(OH)4 at low temperature Note: T = 120 K Locality: synthetic _database_code_amcsd 0010461 7.481 8.2693 9.859 90 108.76 90 P2_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 .60200 .29083 .27828 .01030 .0114 .0098 .0096 .0003 .00327 -.0004 B1 .1035 .2765 .2720 .0113 .0134 .0077 .0125 .0017 .0038 -.0002 B2 .0908 .2695 .5216 .0114 .0106 .0130 .0108 .0025 .0037 .0016 B3 .3787 .1696 .7189 .0086 .0082 .0079 .0096 -.0014 .0028 -.0012 B4 .4671 .1318 .9806 .0095 .0081 .0114 .0081 .0012 .0015 .0006 B5 .5905 .3827 .9050 .0092 .0096 .0100 .0077 -.0015 .0025 -.0010 B6 .8931 .3814 .8517 .0121 .0111 .0117 .0125 -.0002 .0024 -.0006 B7 .5944 .3830 .6449 .0087 .0104 .0091 .0061 -.0001 .0017 -.0018 B8 .4913 .1220 .5148 .0099 .0073 .0107 .0105 .0027 .0010 .0022 O1 .2331 .3060 .20108 .0141 .0138 .0197 .0082 .0015 .0025 .0029 O2 -.0882 .2699 .2085 .0166 .0120 .0257 .0108 .0016 .0021 .0009 O3 .1776 .2518 .41723 .0137 .0088 .0214 .0105 .0030 .0027 .0016 O4 -.0921 .3203 .48254 .0202 .0140 .0376 .0091 .0075 .0039 .0012 O5 .1892 .2394 .66179 .0116 .0101 .0132 .0120 .0016 .0039 .0000 O6 .3931 .0722 .84528 .0105 .0125 .0101 .0089 -.0027 .0035 -.0001 O7 .5296 .2872 .00614 .0102 .0130 .0085 .0094 .0003 .0040 -.0004 O8 .5214 .3078 .75752 .0092 .0136 .0068 .0076 -.0032 .0037 -.0010 O9 .4256 .0600 .61924 .0094 .0113 .0088 .0086 -.0010 .0038 -.0001 O10 .5179 .5466 .89685 .0108 .0139 .0093 .0087 .0015 .0029 .0003 O11 .7977 .3809 .94971 .0124 .0119 .0159 .0089 .0013 .0026 .0003 O12 .8015 .4038 .70949 .0117 .0114 .0120 .0115 .0001 .0035 .0013 O13 .5652 .2750 .52450 .0101 .0112 .0093 .0099 -.0012 .0038 -.0022 O14 .0848 .3566 .9032 .0190 .0095 .0366 .0108 .0043 .0030 .0018 O15 .4999 .0372 .39748 .0107 .0123 .0107 .0082 -.0013 .0017 -.0013 H1 .191 .320 .109 .029 H2 -.120 .300 .119 .047 H4 -.127 .337 .560 .061 H14 .130 .314 .827 .054