Uralborite Simonov M A, Egorov-Tismenko Y K, Belov N V Doklady Akademii Nauk SSSR 234 (1977) 822-825 Accurate crystal structure of uralborite, Ca2[B4O4(OH)8] _database_code_amcsd 0012456 6.927 9.836 12.331 90 90 97.81 P2_1/n atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Ca1 .30116 .23861 .74017 .65 .003291 .001685 .001134 .000037 .000000 -.000021 Ca2 .28021 .86440 .59960 .62 .003291 .001711 .000986 .000037 -.000118 -.000062 B1 .2575 .3361 .9924 .68 .003344 .002080 .001069 .000523 .000000 .000083 B2 .1757 .5203 .8475 .62 .003397 .001474 .001118 .000374 .000414 .000312 B3 .3146 .7657 .8350 .67 .003503 .001948 .001118 .000299 .000000 .000083 B4 .4008 .5956 .6953 .67 .003503 .001474 .001348 .000374 -.000118 .000166 O1 .1320 .4077 .9256 .76 .002973 .002343 .001430 -.000224 -.000325 .000770 O2 .4124 .2770 .9297 .78 .004087 .002396 .001233 .000561 .000295 -.000333 O3 .2439 .6493 .9047 .62 .004140 .001422 .000888 -.000299 .000177 .000000 O4 .4261 .8772 .9004 .85 .004618 .001975 .001480 -.000374 -.000355 -.000229 O5 .0924 .0649 .8486 .76 .003291 .001896 .001677 .000561 -.000798 .000062 O6 .1475 .8230 .7806 .73 .003822 .001948 .001266 .000636 -.000148 .000187 O7 .3166 .4861 .7661 .63 .003450 .001343 .001167 .000000 .000355 .000146 O8 .4445 .7279 .7510 .62 .003344 .001343 .001348 -.000075 .000591 -.000042 O9 .4836 .0369 .7072 .67 .002973 .001764 .001398 .000262 .000502 .000000 O10 .2686 .6129 .6011 1.04 .005945 .002922 .001480 .000598 .000857 .000354 O11 .1501 .0745 .5803 .87 .004034 .002659 .001381 .000486 .000768 .000811 O12 .3619 .2821 .5460 .87 .005308 .002027 .001348 -.000710 -.000177 -.000749 H1 .135 .905 .810 3.8 H2 .030 .084 .582 4.6 H3 .054 .288 .475 3.1 H4 .018 .506 .268 5.1 H5 .154 .590 .448 6.5 H6 .095 .087 .906 6.0 H7 .025 .241 .050 5.7 H8 .191 .540 .594 8.2