Amoros J L, Arrese F, Canut M
Zeitschrift fur Kristallographie 117 (1962) 92-107
The crystal structure of the low-temperature phase of NH4NO3(V) at -150 deg C
Note: sample at T = -150 C, this is a low temperature form
7.98 7.98 9.78 90 90 90 P4_2
atom x y z Biso
N .25 .25 .518 .7
O1 .12 .27 .456 .7
O2 .38 .23 .456 .7
O3 .25 .25 .642 .7
N' .25 .25 .018 .7
O'1 .12 .23 .956 .7
O'2 .38 .27 .956 .7
O'3 .25 .25 .142 .7
N 0 0 .25 .7
H1 .076 .076 .19 .7
H2 .076 -.076 .31 .7
N' .5 0 .25 .7
H'1 .576 .076 .19 .7
H'2 .424 .076 .31 .7
N" .5 .5 .25 .7
H"1 .424 .424 .31 .7
H"2 .424 .576 .19 .7
N"' 0 .5 .25 .7
H"'1 -.076 .424 .31 .7
H"'2 -.076 .576 .19 .7
Roca M, Marcos M D, Amoros P, Alamo J, Beltran-Porter A, Beltran-Porter D
Inorganic Chemistry 36 (1997) 3414-3421
Synthesis and crystal structure of a novel lamellar barium derivative:
Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates
M(VOPO4)2*nH2O
6.3860 12.7796 6.3870 90 90.172 90 Pn
atom x y z Uiso
Ba1 -.0005 .7505 -.0007 .016
V1 .2780 .0444 -.1051 .011
V2 -.1084 .4558 -.2748 .011
P1 -.1117 .4999 .2249 .010
P2 -.2190 .0033 -.1080 .010
O1 .0818 .5718 .2346 .014
O2 .3684 .5702 -.0817 .014
O3 -.2258 .9311 .0845 .015
Wat4 -.1064 .2657 -.3085 .016
Wat5 -.4007 .7522 -.1686 .022
O6 -.0323 .0799 -.0946 .014
O7 -.2998 .5747 .2029 .014
Wat8 .3001 .2284 -.1070 .018
Wat9 .1560 .7456 -.3943 .021
O10 -.1044 .5804 -.2625 .019
O11 .2635 .9199 -.0991 .017
O12 -.4147 .0727 -.1249 .014
O13 -.1998 .9290 -.2964 .015
O14 -.0963 .4238 .0361 .014
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