Abbona F, Boistelle R, Haser R
Acta Crystallographica B35 (1979) 2514-2518
Hydrogen bonding in MgHPO4*3H2O (newberyite)
10.203 10.678 10.015 90 90 90 Pbca
atom x y z
Mg .29694 .24663 .08620
P -.00899 .13287 .15372
O3 -.0884 .1996 .2578
O4 -.0514 .1617 .0098
O5 .1392 .1535 .1681
O6 -.0341 -.0128 .1783
O7 .1671 .3129 -.0614
O8 .2500 .4125 .1894
O9 .3539 .0924 -.0319
H1 .174 .310 -.161
H2 .080 .290 -.053
H3 .278 .485 .167
H4 .175 .429 .232
H5 .313 .088 -.097
H6 .351 -.004 -.004
H7 -.016 -.062 .098
Ferraris G, Abbona F
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 95 (1972) 33-41
The crystal structure of Ca5(HAsO4)2(AsO4)2*4H2O (Sainfeldite)
Locality: synthetic
18.781 9.820 10.191 90 97.02 90 C2/c
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1 .5 .39531 .75 .000511 .002048 .001735 .000000 -.000027 .000000
Ca2 .32106 .08094 .18553 .000684 .001763 .002370 -.000082 .000159 .000227
Ca3 .32375 .46774 .14044 .000590 .001737 .002444 -.000096 .000106 -.000503
As1 .41471 .31962 .41581 .000482 .001659 .001515 -.000027 -.000040 -.000076
As2 .65932 .24002 .62295 .000439 .001011 .001417 .000068 .000027 -.000050
O2 .4250 .4313 .2970 .001015 .003241 .002468 -.000382 .000172 .001258
O3 .3388 .2324 .3657 .000691 .004226 .003568 -.001011 .000027 -.001057
O4 .4128 .3940 .5635 .000950 .003992 .001100 .000423 -.000106 -.000982
O5 .6624 .2583 .4591 .001086 .002489 .001784 .000014 .000000 .000025
O6 .7029 .0956 .6740 .000820 .001348 .003959 .000519 .000504 .001107
O7 .7017 .3747 .7009 .000583 .002618 .004130 -.000451 .000199 -.001359
O8 .5726 .2339 .6523 .000612 .002230 .003372 -.000068 .000305 -.000126
Oh1 .4829 .2007 .4305 .001360 .004589 .004570 .001516 -.000544 -.001082
Ow1 .2383 .4115 .4725 .001108 .001944 .003250 .000041 .000491 .000025
Ow2 .5708 .0207 .8395 .001475 .010214 .011436 .001680 .001286 .002039
H1 .515 .230 .500 2.4
H2 .258 .358 .438 1.4
H3 .212 .358 .520 2.1
H4 .564 .110 .780 7.2
H5 .532 -.030 .820 5.6
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