PDF-47

47-0176
HUO2PO4*1.7H2O
Triklin

Dexp Dcal d(D) h k l
10.1640 10.0807 .0833 0 0 1
8.3460 8.3260 .0200 0 1 1
6.9700 6.9906 -.0206 1 -1 1
6.6320 6.6300 .0020 0 -1 1
6.1090 6.1178 -.0088 -1 1 1
5.7540 5.7583 -.0043 -1 0 1
5.2310 5.2340 -.0030 0 2 1
5.1400 5.1427 -.0027 1 0 2
4.9550 4.9524 .0026 -1 2 1
4.7580 4.7548 .0032 2 -1 1
4.2100 4.2095 .0005 0 -1 2
4.1420 4.1419 .0001 1 2 1

A= 9.800 DA= .001
B= 11.619 DB= .005
C= 10.722 DC= .002
GAMMA=109.22 DGAMMA= .01
BETA = 74.751 DBETA = .001
ALPHA= 83.24 DALPHA= .02
V= 1083.9

47-1001
"dzeta"-UO3
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
9.0100 9.0086 .0014 1 1 0
7.3300 7.3326 -.0026 1 1 1
5.2730 5.2712 .0018 1 1 2
4.4490 4.4478 .0012 -2 0 2
3.6580 3.6583 -.0003 3 1 0
3.5040 3.5046 -.0006 -2 1 3
3.4010 3.4013 -.0003 1 4 1
3.2640 3.2645 -.0005 -1 0 4
3.0470 3.0475 -.0005 -2 4 1
2.9490 2.9510 -.0020 3 2 2
2.8200 2.8205 -.0005 -1 5 1
2.6990 2.6973 .0017 3 3 2
2.5890 2.5884 .0006 -2 4 3
2.0380 2.0380 .0000 0 3 6

a= 11.340 b= 14.870 c= 13.43 beta= 93.1
da=.008 db=.008 dc= .03 dbeta=.1
V= 2262

Triklin

Dexp Dcal d(D) h k l
9.0100 9.0166 -.0066 1 0 0
7.3300 7.3312 -.0012 0 1 0
5.2730 5.2742 -.0012 0 -1 2
4.4490 4.4488 .0002 1 -1 2
3.6580 3.6570 .0010 0 -2 1
3.5040 3.5046 -.0006 1 2 0
3.4010 3.4010 -.0000 0 -2 2
3.2640 3.2647 -.0007 -1 -2 2
3.0470 3.0470 .0000 0 2 2
2.9490 2.9489 .0001 2 -1 3
2.8200 2.8195 .0005 -2 -2 2
2.6990 2.6991 -.0001 -3 1 0
2.5890 2.5891 -.0001 -2 -2 3
2.0380 2.0380 .0000 -3 1 4

A= 9.0514 DA= .0008
B= 7.421 DB= .001
C= 13.400 DC= .001
GAMMA= 85.019 DGAMMA= .004
BETA = 90.0147 DBETA = .0003
ALPHA= 97.416 DALPHA= .001
V= 889.2

47-2114
C6H14N8O14U
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
12.6700 12.6381 .0319 0 0 1
7.7800 7.8304 -.0504 0 2 0
7.3900 7.3960 -.0060 1 1 0
5.7200 5.7248 -.0048 1 2 0
5.2300 5.2203 .0097 0 3 0
4.7400 4.7444 -.0044 1 2 2
3.9300 3.9280 .0020 1 3 2
3.3100 3.3101 -.0001 -1 4 1
2.6100 2.6101 -.0001 0 6 0
2.3400 2.3399 .0001 3 4 1

a= 8.78 b=15.661 c= 13.23 beta= 72.8
da= .02 db=.001 dc=.04 dbeta=.4
V= 1738

47-2115
C12H26N12O14U
Triklin

Dexp Dcal d(D) h k l
14.7800 14.7853 -.0053 1 0 0
14.0200 13.9104 .1096 1 1 0
9.1900 9.1899 .0001 -1 1 0
7.3900 7.3927 -.0027 2 0 0
6.9500 6.9552 -.0052 2 2 0
6.1400 6.1401 -.0001 1 -1 1
4.9800 4.9823 -.0023 0 2 1
4.4200 4.4190 .0010 -2 1 1
4.2000 4.2002 -.0002 -3 -3 1
3.7600 3.7600 .0000 0 -1 2
3.5000 3.5000 .0000 2 -3 1
3.2700 3.2698 .0002 3 4 1

A= 16.106 DA= .003
B= 17.678 DB= .006
C= 7.5392 DC= .0003
GAMMA= 66.681 DGAMMA= .002
BETA = 93.09 DBETA = .01
ALPHA=101.047 DALPHA= .006
V= 1934.2

47-2116
C12H27N13O17U
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
13.0800 13.0513 .0287 1 0 0
9.7800 9.7547 .0253 0 0 2
6.5100 6.5031 .0069 0 0 3
6.0100 6.0135 -.0035 1 0 3
5.6200 5.6207 -.0007 1 1 1
4.9100 4.9148 -.0048 -1 1 2
4.8000 4.8000 -.0000 2 0 3
4.3500 4.3504 -.0004 3 0 0
3.6000 3.5950 .0050 3 1 1
3.2500 3.2501 -.0001 3 1 3
2.6000 2.5999 .0001 3 2 0

a=13.092 b=6.48529 c=19.57 beta= 85.5
da= .009 db= .00001 dc= .04 dbeta=.1
V= 1656

Triklin

Dexp Dcal d(D) h k l
13.0800 13.0480 .0320 0 1 0
9.7800 9.7665 .0135 1 0 0
6.5100 6.5240 -.0140 0 2 0
6.0100 6.0113 -.0013 -1 2 0
5.6200 5.6177 .0023 0 1 1
4.9100 4.9086 .0014 -2 1 0
4.8000 4.8002 -.0002 1 1 1
4.3500 4.3493 .0007 0 3 0
3.6000 3.6004 -.0004 -2 2 1
3.2500 3.2502 -.0002 2 2 1
2.6000 2.6000 .0000 -1 5 1

A= 9.9707 DA= .0001
B= 13.5691 DB= .0005
C= 5.780 DC= .001
GAMMA=101.22 DGAMMA= .03
BETA = 89.20 DBETA = .03
ALPHA= 79.000 DALPHA= .003
V= 752

47-2486
C10H42B12N10O7U
Triklin

Dexp Dcal d(D) h k l
4.4322 4.4321 .0001 1 2 0
3.9978 3.9965 .0013 -1 0 1
3.7018 3.7000 .0018 -1 -2 1
3.5560 3.5560 -.0000 1 4 0
3.3211 3.3217 -.0006 1 2 1
2.8620 2.8632 -.0012 0 1 2
2.7670 2.7688 -.0018 -1 -5 1
2.5809 2.5807 .0002 0 4 2
2.4773 2.4763 .0010 1 7 0
2.3640 2.3639 .0001 -1 4 2
2.3171 2.3165 .0006 0 -4 2
2.2237 2.2238 -.0001 1 8 0

A= 4.814 DA= .002
B= 19.190 DB= .009
C= 5.8098 DC= .0006
GAMMA= 84.43 DGAMMA= .07
BETA = 99.60 DBETA = .02
ALPHA= 84.067 DALPHA= .001
V= 522.5

47-2487
C15H52B12N10O7U
Triklin

Dexp Dcal d(D) h k l
4.3674 4.3678 -.0004 1 0 1
4.2840 4.2840 .0000 0 -1 1
3.8277 3.8268 .0009 0 -1 3
3.7018 3.7019 -.0001 -1 -1 2
3.2266 3.2260 .0006 -1 -1 4
2.9932 2.9945 -.0013 1 0 6
2.5881 2.5880 .0001 1 -1 2
2.3761 2.3761 .0000 1 1 8
2.2888 2.2889 -.0001 2 1 3
2.1094 2.1095 -.0001 1 0 10
1.8776 1.8773 .0003 2 1 8
1.8315 1.8316 -.0001 2 2 5

A= 4.7732 DA= .0001
B= 4.7002 DB= .0001
C= 23.3995 DC= .0004
GAMMA= 67.471 DGAMMA= .003
BETA = 87.335 DBETA = .009
ALPHA= 90.125 DALPHA= .009
V= 484.2

47-2488
C20H60B12N8O6U
Triklin

Dexp Dcal d(D) h k l
4.4322 4.4317 .0005 1 2 0
3.7325 3.7316 .0009 1 -3 0
3.5282 3.5290 -.0008 0 3 0
3.4344 3.4348 -.0004 0 0 1
3.2969 3.2968 .0001 1 -1 1
3.0432 3.0431 .0001 -1 -1 1
2.9737 2.9736 .0001 -2 1 1
2.5881 2.5881 .0000 3 1 1
2.3822 2.3822 .0000 5 1 0
2.3171 2.3171 -.0000 -4 2 1
2.2943 2.2943 .0000 -1 -3 1
2.1575 2.1575 -.0000 3 -4 1

A= 14.0237 DA= .0003
B= 11.2216 DB= .0006
C= 3.44449 DC= .00004
GAMMA=109.362 DGAMMA= .001
BETA = 85.74342 DBETA = .00009
ALPHA= 90.862 DALPHA= .002
V= 510.0

47-2489
C15H47B12N5O7U*2C3H7NO*2H2O
Triklin

Dexp Dcal d(D) h k l
4.4322 4.4318 .0004 -1 3 0
4.2168 4.2161 .0007 0 3 0
3.8605 3.8613 -.0008 -2 1 1
3.2969 3.2967 .0002 2 2 1
3.1483 3.1495 -.0012 4 0 0
3.0129 3.0131 -.0002 -3 4 0
2.8267 2.8259 .0008 4 -2 1
2.6324 2.6319 .0005 -5 1 0
2.4256 2.4255 .0001 0 2 2
2.3521 2.3520 .0001 -4 4 1
2.3229 2.3232 -.0003 5 -3 1
2.2611 2.2612 -.0001 0 3 2

A= 13.3017 DA= .0002
B= 13.3230 DB= .0005
C= 5.1009 DC= .0004
GAMMA=107.592 DGAMMA= .002
BETA = 84.812 DBETA = .002
ALPHA= 86.652 DALPHA= .006
V= 854.7

47-2490
C20H57B12N5O7U
Triklin

Dexp Dcal d(D) h k l
4.3889 4.3876 .0013 -2 2 0
4.2840 4.2859 -.0019 0 3 0
3.6569 3.6571 -.0002 1 -1 1
3.4475 3.4462 .0013 -1 -1 1
3.3580 3.3583 -.0003 -1 4 0
3.2152 3.2145 .0007 0 4 0
3.0948 3.0940 .0008 -2 4 0
2.8983 2.8977 .0006 1 -3 1
2.8738 2.8736 .0002 -2 3 1
2.6706 2.6706 -.0000 2 -3 1
2.5041 2.5047 -.0006 1 -4 1
2.4577 2.4580 -.0003 -3 3 1

A= 9.577 DA= .004
B= 13.505 DB= .002
C= 4.1495 DC= .0001
GAMMA=107.25 DGAMMA= .01
BETA = 91.758 DBETA = .005
ALPHA= 85.143 DALPHA= .001
V= 510.7

47-2491
C30H77B12N5O7U
Triklin

Dexp Dcal d(D) h k l
3.8939 3.8936 .0003 -1 0 1
3.7018 3.7018 .0000 1 3 0
3.5842 3.5843 -.0001 -1 -2 1
3.1814 3.1814 .0000 -1 1 2
3.0030 3.0032 -.0002 1 5 1
2.9545 2.9536 .0009 1 5 0
2.6940 2.6944 -.0004 1 6 1
2.4884 2.4886 -.0002 -1 -1 3
2.4130 2.4129 .0001 0 0 4
2.3761 2.3761 -.0000 1 -4 2
2.2450 2.2450 .0000 -1 5 3
2.1526 2.1526 .0000 1 4 4

A= 4.3041 DA= .0003
B= 19.1418 DB= .0007
C= 9.9715 DC= .0002
GAMMA= 83.424 DGAMMA= .001
BETA = 87.762 DBETA = .001
ALPHA= 75.4670 DALPHA= .0004
V= 789.95

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