PDF-16

16-0121
Ni{NCs}2*2N2H4
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
7.8700 7.8445 .0255 0 1 0
6.2400 6.2263 .0137 1 1 0
4.0000 4.0042 -.0042 0 0 2
3.4300 3.4279 .0021 -1 1 2
3.0700 3.0702 -.0002 3 0 1
2.8660 2.8649 .0011 2 2 1
2.7960 2.8020 -.0060 0 2 2
2.6750 2.6728 .0022 1 2 2
2.6140 2.6148 -.0008 0 3 0
2.5350 2.5335 .0015 1 3 0
2.4880 2.4881 -.0001 -1 1 3
2.3210 2.3213 -.0003 -2 1 3

a= 10.2558 b= 7.8445 c= 8.0242 beta=93.59
da=.0004 db=.0004 dc=.005 dbeta=.01
V= 644.3

Triklin

Dexp Dcal d(D) h k l
7.8700 7.9015 -.0315 0 0 1
6.2400 6.2355 .0045 1 0 0
4.0000 3.9996 .0004 0 -2 1
3.4300 3.4321 -.0021 0 -2 2
3.0700 3.0701 -.0001 2 2 0
2.8660 2.8661 -.0001 2 1 2
2.7960 2.8005 -.0045 -1 -3 1
2.6750 2.6737 .0013 0 -3 1
2.6140 2.6161 -.0021 -2 0 1
2.5350 2.5368 -.0018 -2 1 0
2.4880 2.4858 .0022 2 3 0
2.3210 2.3198 .0012 3 1 1

A= 6.970 DA= .003
B= 8.4668 DB= .0008
C= 8.7415 DC= .0001
GAMMA= 71.74 DGAMMA= .03
BETA = 77.46 DBETA = .01
ALPHA=106.40 DALPHA= .06
V= 442.8

16-0164
Ni3{CO3}{OH}4*4H2O
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
8.9300 8.9347 -.0047 0 0 1
5.0700 5.0718 -.0018 1 1 0
2.7300 2.7298 .0002 2 0 2
2.4500 2.4499 .0001 2 2 1
2.0000 2.0001 -.0001 -3 0 2
1.9100 1.9094 .0006 0 4 0
1.7400 1.7400 .0000 0 1 5
1.5500 1.5499 .0001 4 2 0
1.4900 1.4902 -.0002 1 5 0

a= 6.785 b= 7.638 c= 8.937 beta= 88.76
da= .002 db=.001 dc=8.963 dbeta=.02
V= 463.0


16-0192
Ni{ClO3}2*2H2O
Triklin

Dexp Dcal d(D) h k l
6.2300 6.2281 .0019 0 1 1
4.7400 4.7392 .0008 0 -1 1
4.1000 4.0958 .0042 -1 -1 1
3.8800 3.8741 .0059 1 0 1
3.6630 3.6650 -.0020 0 0 2
3.6010 3.6024 -.0014 -1 0 2
3.2450 3.2411 .0039 1 -1 1
3.1130 3.1141 -.0011 0 2 2
3.0020 3.0010 .0010 -1 2 2
2.7570 2.7574 -.0004 2 0 0
2.6190 2.6166 .0024 -1 1 3
2.5300 2.5324 -.0024 0 1 3

A= 5.795 DA= .002
B= 8.072 DB= .003
C= 7.979 DC= .003
GAMMA= 91.55 DGAMMA= .01
BETA =107.59 DBETA = .01
ALPHA= 74.78 DALPHA= .02
V= 342.7


16-0193
Ni{BrO3}2*2H2O
Rombik
Groupa 19

Dexp. Dcal. d(D) h k l
4.5700 4.5627 .0073 0 0 1
4.4200 4.4177 .0023 1 1 0
3.6300 3.6333 -.0033 0 1 1
3.2550 3.2601 -.0051 2 0 0
3.1740 3.1738 .0002 1 1 1
3.0020 3.0033 -.0013 0 2 0
2.8700 2.8653 .0047 2 1 0
2.6530 2.6526 .0004 2 0 1
2.5100 2.5086 .0014 0 2 1
2.2810 2.2814 -.0004 0 0 2
2.2080 2.2089 -.0009 2 2 0

a= 6.520 b= 6.006 c= 4.5627
da= .003 db= .001 dc= .0008
v= 178.7

16-0194
Ni{ClO3}2*4H2O
Monoklin
Rombik
Groupa 61

Dexp. Dcal. d(D) h k l
6.4700 6.4594 .0106 0 0 2
5.3800 5.3590 .0210 1 0 2
5.2400 5.2324 .0076 1 1 1
4.8000 4.7995 .0005 2 0 0
4.2900 4.2835 .0065 1 1 2
3.9800 3.9812 -.0012 2 1 0
3.8600 3.8524 .0076 2 0 2
3.8000 3.8046 -.0046 2 1 1
3.4450 3.4409 .0041 1 1 3
3.2350 3.2348 .0002 1 2 1
3.0620 3.0611 .0009 1 0 4
2.9690 2.9677 .0013 1 2 2

a= 9.599 b= 7.128 c=12.92
da= .001 db= .003 dc= .02
V= 884



Triklin

Dexp Dcal d(D) h k l
6.4700 6.4723 -.0023 0 1 1
5.3800 5.3809 -.0009 0 -1 1
5.2400 5.2371 .0029 1 0 1
4.8000 4.8183 -.0183 1 -1 1
4.2900 4.2913 -.0013 -1 0 1
3.9800 3.9807 -.0007 1 0 2
3.8600 3.8650 -.0050 1 1 0
3.8000 3.7962 .0038 0 2 0
3.4450 3.4425 .0025 1 -2 1
3.2350 3.2361 -.0011 0 2 2
3.0620 3.0613 .0007 0 0 3
2.9690 2.9687 .0003 1 0 3


A= 5.883 DA= .006
B= 8.112 DB= .005
C= 9.493 DC= .001
GAMMA=107.73 DGAMMA= .02
BETA = 79.95 DBETA = .01
ALPHA= 83.04 DALPHA= .02
V= 417.5

16-0290
Ni{IO3}2*2H2O
Rombik
Groupa 19

Dexp. Dcal. d(D) h k l
4.5800 4.5779 .0021 0 0 1
4.4800 4.4681 .0119 1 1 0
3.6600 3.6617 -.0017 1 0 1
3.2800 3.2809 -.0009 0 2 0
3.2000 3.1975 .0025 1 1 1
3.0500 3.0504 -.0004 2 0 0
2.8900 2.8896 .0004 1 2 0
2.6660 2.6668 -.0008 0 2 1
2.5380 2.5385 -.0005 2 0 1
2.2890 2.2890 .0000 0 0 2
2.2340 2.2340 -.0000 2 2 0

a= 6.1008 b= 6.5619 c= 4.57794
da= .0004 db= .0004 dc= .00003
V= 183.27


16-0523
C36H30As2Br2NiO2
Triklin

Dexp Dcal d(D) h k l
9.5000 9.4337 .0663 0 1 1
8.8000 8.8389 -.0389 0 -1 1
7.7800 7.7744 .0056 1 0 0
7.2000 7.1880 .0120 -1 0 1
6.7800 6.7839 -.0039 1 0 1
5.8200 5.8198 .0002 -1 1 1
5.2800 5.2723 .0077 0 0 3
5.1000 5.1007 -.0007 1 1 2
4.8400 4.8354 .0046 1 2 0
4.6400 4.6429 -.0029 1 2 1
4.4200 4.4195 .0005 0 -2 2
4.2400 4.2358 .0042 -1 2 1

A= 7.855 DA= .002
B= 11.278 DB= .006
C= 15.89 DC= .01
GAMMA= 82.95 DGAMMA= .01
BETA = 93.73 DBETA = .02
ALPHA= 86.54 DALPHA= .03
V= 1390.5

16-0526
C36H30Cl2NiO2P2
Triklin

Dexp Dcal d(D) h k l
8.8000 8.8324 -.0324 0 1 1
8.6000 8.5991 .0009 1 1 0
7.8000 7.7797 .0203 0 -1 1
7.3500 7.3270 .0230 0 0 2
6.9500 6.9368 .0132 1 1 1
6.4000 6.4031 -.0031 -2 0 2
6.1500 6.1518 -.0018 -2 -1 1
5.8400 5.8467 -.0067 1 -1 1
5.5700 5.5680 .0020 -2 1 1
5.3800 5.3881 -.0081 -1 0 3
4.9400 4.9381 .0019 0 2 1
4.7500 4.7489 .0011 -3 0 1

A= 14.4758 DA= .0009
B= 10.1464 DB= .0009
C= 16.238 DC= .001
GAMMA= 83.763 DGAMMA= .006
BETA =114.38 DBETA = .01
ALPHA= 85.539 DALPHA= .008
V=2137


16-0587
C36H30Br2NiO2P2
Triklin

Dexp Dcal d(D) h k l
9.0500 9.0485 .0015 1 0 0
8.8500 8.8531 -.0030 1 1 0
8.6100 8.6195 -.0095 0 0 1
8.2500 8.3015 -.0515 1 0 1
7.0000 6.9880 .0120 0 -1 1
5.6500 5.6582 -.0082 1 2 0
5.4300 5.4184 .0116 2 1 1
5.1600 5.1691 -.0091 1 2 1
5.0000 5.0007 -.0007 2 0 1
4.4200 4.4265 -.0065 2 2 0
4.3900 4.3868 .0032 -1 -2 1
4.3100 4.3098 .0002 0 0 2


A= 10.9960 DA= .0008
B= 11.6001 DB= .0001
C= 9.6274 DC= .0008
GAMMA= 66.074 DGAMMA= .002
BETA = 64.012 DBETA = .003
ALPHA= 83.980 DALPHA= .002
V=1004.4


16-0595
NiSeO4*4H2O
Triklin

Dexp Dcal d(D) h k l
6.9200 6.9434 -.0234 1 0 0
5.4700 5.4621 .0079 1 1 1
4.8800 4.8769 .0031 1 -1 1
4.8000 4.7990 .0010 0 -2 1
4.5000 4.5062 -.0062 -1 -1 1
4.0000 4.0030 -.0030 0 3 0
3.8600 3.8602 -.0002 1 -2 1
3.6300 3.6320 -.0020 0 -3 1
3.4400 3.4398 .0002 2 2 0
3.4000 3.4018 -.0018 1 1 2
3.2200 3.2183 .0017 -1 2 1
3.0800 3.0788 .0012 1 4 0

A= 7.418 DA= .001
B= 12.4891 DB= .0006
C= 7.2558 DC= .0001
GAMMA= 75.03 DGAMMA= .02
BETA = 76.64 DBETA = .02
ALPHA= 91.78 DALPHA= .01
V=628.3

16-0652
NiSeO4*2H2O
Triklin

Dexp Dcal d(D) h k l
5.6600 5.6598 .0002 0 0 1
5.1000 5.1054 -.0054 0 -2 1
4.4500 4.4493 .0007 1 0 0
4.0800 4.0813 -.0013 0 -4 1
3.8300 3.8327 -.0027 -1 -3 1
3.2100 3.2123 -.0023 0 6 1
3.0400 3.0403 -.0003 1 0 1
2.8560 2.8559 .0001 -1 6 0
2.5100 2.5087 .0013 1 -5 1
2.3280 2.3281 -.0001 -2 1 1
2.1740 2.1737 .0003 2 3 0
2.1220 2.1219 .0001 2 4 0


A= 4.72824 DA= .00009
B= 23.528 DB= .004
C= 6.004 DC= .001
GAMMA= 86.362 DGAMMA= .004
BETA =109.51 DBETA = .02
ALPHA= 91.43 DALPHA= .01
V= 628.1

16-0652
NiSeO4*2H2O
Triklin

Dexp Dcal d(D) h k l
5.6600 5.7119 -.0519 0 1 1
5.1000 5.1029 -.0029 0 -1 1
4.4500 4.4486 .0014 1 -1 1
4.0800 4.0759 .0041 1 0 2
3.8300 3.8248 .0052 -2 1 0
3.2100 3.2090 .0010 -1 2 1
3.0400 3.0389 .0011 1 0 3
2.8560 2.8560 .0000 0 2 2
2.5100 2.5086 .0014 3 0 1
2.3280 2.3281 -.0001 3 1 0
2.1740 2.1739 .0001 0 0 5
2.1220 2.1221 -.0001 -4 0 1


A= 8.81167 DA= .00001
B= 6.4692 DB= .0001
C= 11.4748 DC= .0001
GAMMA=105.043 DGAMMA= .003
BETA =107.184 DBETA = .002
ALPHA= 78.643 DALPHA= .003
V=598.6

16-0904
C24H28N4*Ni{CNS}2
Triklin

Dexp Dcal d(D) h k l
8.6400 8.6322 .0078 1 1 0
8.3700 8.3950 -.0250 -1 0 1
7.5600 7.5516 .0084 -1 -1 1
7.3400 7.3265 .0135 0 -1 1
5.1700 5.1567 .0133 0 0 2
5.0300 5.0332 -.0032 0 1 2
4.9800 4.9719 .0081 -1 -1 2
4.8500 4.8562 -.0062 -1 1 2
4.5000 4.5043 -.0043 0 -1 2
4.3600 4.3640 -.0040 -2 -2 1
4.2700 4.2682 .0018 0 2 2
4.0800 4.0785 .0015 -2 1 1


A= 9.98134 DA= .00007
B= 12.83322 DB= .00006
C= 11.05021 DC= .00004
GAMMA= 73.3602 DGAMMA= .0007
BETA =109.1795 DBETA = .0006
ALPHA= 87.4250 DALPHA= .0004
V=1265.6


16-0941
CH5N*HBr*NiCl2
Rombik
Groupa 17

Dexp. Dcal. d(D) h k l
7.3600 7.3037 .0563 0 0 1
6.4200 6.4813 -.0613 0 1 1
3.9800 3.9707 .0093 1 0 1
3.8200 3.8212 -.0012 1 1 1
3.1700 3.1672 .0028 0 4 1
2.8100 2.8120 -.0020 0 5 0
2.4600 2.4604 -.0004 1 3 2
2.2200 2.2221 -.0021 2 1 1
2.0300 2.0286 .0014 2 3 1

a= 4.731 b=14.060 c= 7.3037
da= .001 db= .003 dc= .0002
V= 485.8


16-0943
C2H7N*HCl*NiCl2
Triklin

Dexp Dcal d(D) h k l
7.2500 7.2473 .0027 0 1 1
6.5800 6.5820 -.0020 0 -1 1
4.3500 4.3491 .0009 -1 0 2
4.0100 4.0107 -.0007 1 -1 1
2.9300 2.9291 .0009 -1 -3 1
9.6400 9.6415 -.0015 0 0 1
2.8700 2.8700 .0000 1 3 1
2.5800 2.5806 -.0006 0 -2 3
2.2500 2.2511 -.0011 -2 2 3
2.1800 2.1803 -.0003 -2 3 1
2.1300 2.1300 -.0000 1 4 2
1.9500 1.9499 .0001 -3 1 0

A= 6.334 DA= .002
B= 9.940 DB= .002
C= 9.982 DC= .001
GAMMA= 84.67 DGAMMA= .01
BETA =103.99 DBETA = .02
ALPHA= 85.974 DALPHA= .001
V= 604.4

16-0944
C3H9N*HCl*NiBr2*2H2O
Triklin

Dexp Dcal d(D) h k l
8.7500 8.7441 .0059 1 0 0
8.0300 8.0320 -.0020 0 1 0
7.5500 7.5528 -.0028 0 0 1
4.5800 4.5805 -.0005 -2 -1 1
4.0600 4.0631 -.0031 0 -2 1
3.8700 3.8731 -.0031 0 -1 2
3.6400 3.6399 .0001 -2 -1 2
3.2900 3.2890 .0010 -2 1 1
2.9300 2.9284 .0016 -3 -2 1
2.7400 2.7398 .0002 1 3 0
2.5600 2.5601 -.0001 -3 1 0
2.4500 2.4509 -.0009 -3 -3 2


A= 9.549 DA= .001
B= 8.8611 DB= .0006
C= 8.387 DC= .003
GAMMA= 71.162 DGAMMA= .002
BETA =109.92 DBETA = .02
ALPHA=111.47 DALPHA= .02
V= 604.8


16-0945
C2H7N*HCl*NiCl2
Triklin

Dexp Dcal d(D) h k l
8.8700 8.7825 .0875 1 0 0
8.1800 8.1744 .0056 -1 1 0
6.2400 6.2397 .0003 1 1 0
4.3200 4.3249 -.0049 -1 0 1
3.4100 3.4111 -.0011 -2 3 0
2.9200 2.9213 -.0013 -2 -1 1
2.8000 2.8008 -.0008 2 -3 1
2.6300 2.6317 -.0017 3 0 1
2.5300 2.5297 .0003 -2 4 1
2.4300 2.4308 -.0008 0 -4 1
2.2700 2.2704 -.0004 -4 2 0
2.2200 2.2203 -.0003 -3 4 1
2.1800 2.1799 .0001 2 -2 2

A= 9.1423 DA= .0002
B= 12.171 DB= .004
C= 5.213 DC= .002
GAMMA=105.601 DGAMMA= .007
BETA = 87.41 DBETA = .02
ALPHA= 84.80 DALPHA= .03
V= 554.9

16-0946
C9H7N*HCl*NiCl2*1.5H2O
Triklin

Dexp Dcal d(D) h k l
9.2900 9.3115 -.0215 1 0 0
8.7300 8.7259 .0041 0 1 0
6.7700 6.7703 -.0003 -1 0 1
6.1000 6.1250 -.0250 1 0 1
4.7200 4.7205 -.0005 -1 1 1
4.4400 4.4363 .0037 0 0 2
4.1700 4.1701 -.0001 -1 0 2
3.8700 3.8718 -.0018 -1 2 0
3.5100 3.5102 -.0002 0 1 2
3.1600 3.1608 -.0008 -2 -2 2
2.8200 2.8197 .0003 1 3 0
2.7500 2.7498 .0002 3 -1 1
2.3500 2.3499 .0001 2 -3 2
2.2000 2.1999 .0001 -4 -1 2


A= 9.398 DA= .0007
B= 9.295 DB= .001
C= 9.4849 DC= .0008
GAMMA= 84.69 DGAMMA= .02
BETA = 97.19 DBETA = .01
ALPHA=109.93 DALPHA= .02
V= 771.8


16-0947
C3H9N*HCl*NiCl2*2H2O
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
7.9000 7.9067 -.0067 1 0 1
7.0800 7.0795 .0005 1 1 0
4.5000 4.4971 .0029 -2 1 1
3.9800 3.9750 .0050 -2 1 2
3.5000 3.4987 .0013 -3 0 1
3.1800 3.1799 .0001 -1 2 3
3.1400 3.1391 .0009 3 1 1
2.8700 2.8696 .0004 0 3 2
2.8000 2.8011 -.0011 -1 3 2
2.6900 2.6909 -.0009 -3 2 2
2.6600 2.6597 .0003 -1 0 5
2.6400 2.6410 -.0010 2 3 1
2.6000 2.6001 -.0001 2 1 4
2.5400 2.5402 -.0002 3 1 3

a=10.631 b= 9.531 c= 13.448 beta= 95.93
da=.004 db=.007 dc=.006 dbeta=.07
V= 1355

Triklin

Dexp Dcal d(D) h k l
7.9000 7.9003 -.0003 1 0 0
7.0800 7.0804 -.0004 0 1 0
4.5000 4.5001 -.0001 -1 0 1
3.9800 3.9796 .0004 -1 1 1
3.5000 3.4948 .0052 0 2 1
3.1800 3.1798 .0002 -2 0 1
3.1400 3.1392 .0008 -2 1 0
2.8700 2.8702 -.0002 -2 1 1
2.8000 2.7995 .0005 0 0 2
2.6900 2.6921 -.0021 3 1 0
2.6600 2.6584 .0016 0 -2 1
2.6400 2.6405 -.0005 1 2 2


A= 8.198 DA= .003
B= 7.687 DB= .003
C= 5.898 DC= .003
GAMMA= 74.61 DGAMMA= .03
BETA = 83.54 DBETA = .03
ALPHA= 71.77 DALPHA= .01
V= 340.2

16-0948
C2H7N*HBr*NiCl2
Triklin

Dexp Dcal d(D) h k l
8.8400 8.8628 -.0228 -1 0 1
8.3000 8.2652 .0348 0 1 0
6.4100 6.4070 .0030 1 0 1
5.5100 5.5192 -.0092 0 0 2
4.3900 4.4019 -.0119 -2 -1 1
3.4500 3.4461 .0039 1 -2 1
3.1300 3.1303 -.0003 -2 2 0
2.9500 2.9506 -.0006 1 -2 2
2.8300 2.8296 .0004 -1 -2 3
2.6600 2.6591 .0009 -2 1 4
2.5500 2.5468 .0032 1 3 1
2.4600 2.4601 -.0001 0 -3 2


A= 10.367 DA= .002
B= 8.2672 DB= .0008
C= 11.63312 DC= .00077
GAMMA= 88.786 DGAMMA= .009
BETA =108.406 DBETA = .004
ALPHA= 90.121 DALPHA= .004
V=946.3


16-0949
CH5N*HBr*NiBr2
Triklin

Dexp Dcal d(D) h k l
7.3200 7.3203 -.0003 1 0 0
6.3900 6.3855 .0045 0 0 1
3.1800 3.1782 .0018 0 -2 1
3.1000 3.1000 -.0000 0 -1 2
2.8900 2.8890 .0010 2 -1 1
2.5600 2.5603 -.0003 -2 -1 2
2.4800 2.4798 .0002 -3 0 1
2.3900 2.3902 -.0002 1 2 1
2.2500 2.2501 -.0001 -3 -1 1
2.0600 2.0600 .0000 -2 0 3
1.9100 1.9100 -.0000 3 1 1
1.8300 1.8301 -.0001 4 0 0
1.7500 1.7501 -.0001 2 -3 2
1.6600 1.6600 .0000 4 0 1

A= 7.5907 DA= .0002
B= 6.782 DB= .001
C= 6.6365 DC= .0005
GAMMA= 97.449 DGAMMA= .004
BETA =102.089 DBETA = .002
ALPHA= 98.39 DALPHA= .03
V= 325.9

16-0950
CH5N*HCl*NiCl2
Triklin

Dexp Dcal d(D) h k l
7.2100 7.1994 .0106 0 1 1
6.2000 6.1921 .0079 0 -1 1
3.9700 3.9762 -.0062 -1 1 0
3.4600 3.4599 .0001 0 3 1
3.2500 3.2497 .0003 -1 -1 1
3.1200 3.1187 .0013 1 -2 1
2.9600 2.9621 -.0021 1 0 2
2.7600 2.7598 .0002 -1 -2 1
2.3800 2.3787 .0013 -1 4 0
2.3100 2.3114 -.0014 1 1 3
2.2700 2.2680 .0020 1 -1 3
2.1500 2.1505 -.0005 0 1 4

A= 4.0918 DA= .0005
B= 10.846 DB= .001
C= 8.612 DC= .004
GAMMA= 98.05 DGAMMA= .01
BETA = 90.16 DBETA = .03
ALPHA= 81.26 DALPHA= .02
V= 374.0

16-0951
C4H10N2*2Hcl*NiBr2*6H2O
Triklin

Dexp Dcal d(D) h k l
7.7400 7.7425 -.0025 1 0 0
6.9500 6.9714 -.0214 1 1 0
5.9500 5.9406 .0094 -1 0 1
5.7700 5.7557 .0143 0 1 1
5.4700 5.4728 -.0028 1 0 1
4.4200 4.4344 -.0144 0 2 0
4.2700 4.2652 .0048 -1 -2 1
4.1500 4.1362 .0138 0 -2 1
3.9800 3.9888 -.0088 0 -1 2
3.8700 3.8713 -.0013 2 0 0
3.8200 3.8249 -.0049 -1 0 2
3.5700 3.5702 -.0002 1 0 2


A= 8.1892 DA= .0001
B= 9.4198 DB= .0004
C= 8.5294 DC= .0001
GAMMA= 71.566 DGAMMA= .002
BETA = 97.248 DBETA = .001
ALPHA= 98.9375 DALPHA= .0004
V=614.1


16-0952
C6H7N*HCl*NiCl2
Monoklin
Grupa 3

Dexp Dcal d(D) h k l
11.1000 11.2088 -.1088 1 0 0
10.0000 10.0571 -.0571 0 0 1
6.3300 6.3371 -.0071 1 1 0
4.8100 4.8065 .0035 1 0 2
4.6600 4.6653 -.0053 -2 0 1
3.4600 3.4606 -.0006 1 2 1
3.0500 3.0492 .0008 1 1 3
2.3600 2.3596 .0004 -3 0 3
2.0400 2.0398 .0002 -3 3 1
1.9400 1.9401 -.0001 -1 0 5
1.8700 1.8700 -.0000 -2 3 3


a= 11.29 b= 7.683 c= 10.129 beta= 83.162
da=.03 db=.002 dc=.008 dbeta=.006
V= 872

Triklin

Dexp Dcal d(D) h k l
11.1000 11.0977 .0023 0 1 0
10.0000 9.9998 .0002 0 0 1
6.3300 6.3300 .0000 -1 1 0
4.8100 4.8099 .0001 0 -1 2
4.6600 4.6600 .0000 1 -1 2
3.4600 3.4601 -.0001 -2 0 1
3.0500 3.0502 -.0002 2 0 3
2.3600 2.3601 -.0001 2 4 1
2.0400 2.0399 .0001 3 4 0
1.9400 1.9400 .0000 3 -4 2
1.8700 1.8700 .0000 4 0 4

A= 8.571 DA= .006
B= 11.217 DB= .003
C= 10.510 DC= .001
GAMMA= 86.98 DGAMMA= .09
BETA = 73.820 DBETA = .001
ALPHA= 96.64 DALPHA= .07
V= 960.04


16-0953
C2H7N*HBr*NiBr2
Triklin

Dexp Dcal d(D) h k l
9.1000 9.1302 -.0302 1 0 0
8.3000 8.3113 -.0113 0 1 0
6.5200 6.5158 .0042 0 1 1
4.4300 4.4187 .0113 0 1 2
3.8700 3.8701 -.0001 0 2 1
3.6100 3.6079 .0021 2 -2 2
3.5000 3.5002 -.0002 3 -1 1
3.4000 3.4002 -.0002 -1 -1 2
3.3200 3.3218 -.0018 2 -1 3
3.2300 3.2285 .0015 0 -2 2
3.0800 3.0784 .0016 -2 -1 1
3.0300 3.0306 -.0006 1 -3 0


A= 10.527 DA= .004
B= 9.235 DB= .001
C= 10.84 DC= .01
GAMMA=115.85 DGAMMA= .05
BETA = 73.12 DBETA = .08
ALPHA= 96.82
V= 907.6

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