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Hannayite |
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Catti M, Franchini-Angela M |
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Acta Crystallographica B32 (1976) 2842-2848 |
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Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O |
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(hannayite), and crystal-chemical relationships with schertelite and struvite |
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Locality: synthetic |
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10.728 7.670 6.702 97.87 96.97 104.74 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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N .2094 .5266 .3144 .004032 .011108 .009323 .002675 .002088 .002770 |
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H11 .147 .569 .340 1.4 |
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H12 .226 .462 .417 .8 |
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H13 .182 .447 .194 .6 |
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H14 .278 .620 .313 2.4 |
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Mg1 0 0 0 .002028 .005390 .005128 .000401 .000671 .002038 |
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Mg2 .40280 .2405 .6622 .002052 .004078 .004429 .000602 .000783 .000941 |
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P1 .12828 .33408 .75136 .001455 .004125 .004312 .000669 .000559 .001463 |
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P2 .52884 .69239 .79383 .001575 .003093 .003263 .000401 .000634 .000888 |
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O1 -.0067 .2961 .6275 .002362 .009374 .007459 .001505 .001715 .002613 |
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O2 .1272 .2282 .9299 .002434 .007499 .007400 .000568 .000559 .003345 |
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O3 .2292 .3025 .6206 .002935 .008296 .006643 .002006 .001715 .002456 |
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Oh4 .1723 .5455 .8522 .003197 .005343 .012353 .000669 .001976 .000627 |
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Oh5 .6233 .7702 .0107 .002314 .008624 .004778 .000936 .000932 .001202 |
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O6 .5928 .8057 .6441 .003388 .005015 .005652 .000468 .001790 .001829 |
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O7 .5184 .4926 .7377 .003436 .004781 .009149 .000769 .001268 .001568 |
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O8 .4021 .7363 .8348 .002338 .006984 .008333 .001271 .001454 .001934 |
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Ow1 .0550 -.1770 .7761 .005201 .008812 .007692 .002976 .001454 .000732 |
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Ow2 .1476 -.0290 .2031 .003030 .010639 .010139 -.000033 -.000969 .005435 |
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Ow3 .2991 -.0389 .6255 .003102 .006140 .009032 .000736 .001081 .002613 |
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Ow4 .5737 .1605 .7495 .003579 .005531 .006993 .001705 .000858 .000784 |
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H1 .248 .587 .840 1.0 |
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H2 .705 .779 .005 .9 |
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H3 .027 -.228 .644 .7 |
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H4 .091 -.258 .816 2.2 |
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H5 .225 .053 .267 .9 |
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H6 .119 -.104 .286 .2 |
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H7 .231 -.049 .676 .7 |
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H8 .339 -.107 .686 .6 |
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H9 .589 .182 .876 .4 |
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H10 .579 .057 .710 .2 |
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