Niter
Nimmo J, Lucas B
Acta Crystallographica B32 (1976) 1968-1971
The crystal structures of gamma- and beta-KNO3 and
the alpha-gamma-beta phase transformations
_cod_database_code 1000051
_database_code_amcsd 0009568
5.487 5.487 9.156 90 90 120 R3m
atom x y z
K 0 0 0
N 0 0 .405
O .131 -.131 .434
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Niter
Adiwidjaja G, Pohl D
Acta Crystallographica C59 (2003) i139-i140
Superstructure of a-phase potassium nitrate
Locality: synthetic
_database_code_amcsd 0010326
10.825 18.351 6.435 90 90 90 Cmc2_1
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K1 0 .41703 .2604 .0274 .0276 .0381 0 0 -.0011
K2 .5 .41679 .2614 .0286 .0278 .0352 0 0 -.0009
K3 .24980 .16670 .25104 .0262 .0280 .0366 0 .0004 .0008
N1 0 .2483 .4215 .021 .030 .028 0 0 0
N2 .5 .2469 .4208 .038 .036 .019 0 0 -.002
N3 .2497 .4979 .0911 .026 .031 .024 .007 -.003 -.001
O1 0 .1807 .4140 .038 .031 .059 0 0 .001
O2 .5 .1788 .4138 .045 .025 .044 0 0 .002
O3 .0999 .2830 .4206 .031 .047 .042 -.007 -.004 -.005
O4 .3987 .2809 .4248 .026 .045 .059 .009 .003 -.010
O5 .1506 .5313 .0984 .029 .036 .057 .002 -.004 -.001
O6 .3479 .5321 .0896 .028 .037 .066 -.007 .006 .002
O7 .2478 .4296 .0937 .045 .032 .052 -.003 .000 -.011
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Niter
Nimmo J K, Lucas B W
Journal of Physics C: Solid State Physics 6 (1973) 201-211
A neutron diffraction determination of the crystal structure of
alpha-phase potassium nitrate at 25 C and 100 C
Sample: T = 25 C
Locality: Synthetic
_database_code_amcsd 0013162
5.4142 9.1659 6.4309 90 90 90 Pmcn
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K .25 .4166 .7568 .0184 .0061 .0180 0 0 .0005
N .25 .7548 -.0848 .0184 .0071 .0111 0 0 .0001
O1 .25 .8902 -.0893 .0273 .0066 .0249 0 0 -.0024
O2 .4492 .6866 -.0849 .0173 .0097 .0236 .0019 -.0027 .0016
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Niter
Nimmo J K, Lucas B W
Journal of Physics C: Solid State Physics 6 (1973) 201-211
A neutron diffraction determination of the crystal structure of
alpha-phase potassium nitrate at 25 C and 100 C
Sample: T = 100 C
Locality: Synthetic
_database_code_amcsd 0013163
5.4230 9.1827 6.5189 90 90 90 Pmcn
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K .25 .4155 .7646 .0158 .0101 .0238 0 0 -.0089
N .25 .7539 -.0829 .0256 .0083 .0181 0 0 .0018
O1 .25 .8890 -.0900 .0425 .0090 .0258 0 0 .0011
O2 .4442 .6849 -.0835 .0247 .0116 .0332 .0017 -.0048 -.0007
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