1. 11-0098
Ni3Si2O5{OH}4
Geksagon
Groupa 185,188,193
Dexp. Dcal. d(D) h k l
7.2600 7.2683 -.0083 1 0 0
4.2000 4.1964 .0036 1 1 0
3.6290 3.6342 -.0052 2 0 0
2.5000 2.4940 .0060 1 0 2
2.1400 2.1440 -.0040 2 0 2
1.5200 1.5197 .0003 4 1 1
a= 8.39 c= 5.31
da= .02 dc=.01
v= 324
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
7.2600 7.2570 .0030 1 0 0
4.2000 4.2129 -.0129 1 2 0
3.6290 3.6285 .0005 2 0 0
2.5000 2.5000 -.0000 2 3 0
2.1400 2.1400 .0000 1 0 1
1.5200 1.5200 .0000 0 5 1
a= 7.257 b=10.348 c= 2.240
da= .001 db= .001 dc= .001
v= 168.2
2. 11-0295
K2Ni6{As2Si6}O20{OH}4
Triklin
Dexp Dcal d(D) h k l
10.2000 10.2081 -.0081 1 0 0
5.5100 5.5072 .0028 0 1 1
5.0700 5.0685 .0015 0 -1 1
4.5600 4.5573 .0027 2 -1 1
3.9300 3.9331 -.0031 -1 2 0
3.6700 3.6682 .0018 2 1 0
3.3900 3.3907 -.0007 3 0 1
3.1600 3.1604 -.0004 1 2 0
2.9280 2.9295 -.0015 2 1 2
2.7200 2.7199 .0001 -1 2 2
2.6120 2.6114 .0006 2 2 0
2.5420 2.5434 -.0014 3 -2 2
A= 11.0680 DA= .0005
B= 7.870 DB= .001
C= 7.692 DC= .003
GAMMA=109.06 DGAMMA= .01
BETA = 78.263 DBETA = .007
ALPHA= 89.421 DALPHA= .003
V= 617.9
3. 11-0381
Na3NiP3O10*12H2O
Triklin
Dexp Dcal d(D) h k l
10.4000 10.4135 -.0135 0 1 1
7.8000 7.7999 .0001 0 -1 1
7.3000 7.3041 -.0041 -1 1 0
6.8000 6.8069 -.0069 1 1 0
5.8000 5.7949 .0051 0 2 1
5.4000 5.3942 .0058 0 -1 2
5.3000 5.2925 .0075 -1 2 1
4.7100 4.7123 -.0023 -1 0 3
4.6400 4.6368 .0032 -2 0 1
4.5600 4.5608 -.0008 1 2 1
4.5400 4.5439 -.0039 2 0 0
4.3800 4.3794 .0006 -2 1 2
A= 9.417 DA= .006
B= 11.771 DB= .001
C= 15.634 DC= .009
GAMMA= 98.38 DGAMMA= .03
BETA =104.64 DBETA = .04
ALPHA= 71.630 DALPHA= .005
V= 1587.1
4. 11-0603
Hf2Ni
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
3.1700 3.1645 .0055 1 1 0
2.6200 2.6200 -.0000 -3 0 1
2.5000 2.5008 -.0008 -1 1 2
2.3200 2.3200 -.0000 3 0 1
2.2600 2.2608 -.0008 -2 1 2
2.0200 2.0204 -.0004 -1 1 3
1.6000 1.6001 -.0001 4 1 1
1.5000 1.5003 -.0003 -3 1 4
1.4800 1.4805 -.0005 3 1 3
1.4200 1.4197 .0003 2 1 4
1.3600 1.3596 .0004 -2 1 5
1.3100 1.3100 -.0000 -6 0 2
a=7.9640 b= 3.461 c=7.523 beta=101.11
da=.0004 db= .002 dc=.003 dbeta=.01
V= 203.5
Triklin
Dexp Dcal d(D) h k l
3.1700 3.1695 .0005 0 -1 1
2.6200 2.6201 -.0001 0 -3 1
2.5000 2.4998 .0002 -1 -3 1
2.3200 2.3203 -.0003 0 -4 1
2.2600 2.2600 -.0000 -1 -4 1
2.0200 2.0202 -.0002 2 4 0
1.6000 1.6002 -.0002 -1 1 2
1.5000 1.4999 .0001 -1 8 0
1.4800 1.4805 -.0005 -3 -2 1
1.4200 1.4199 .0001 -2 6 1
1.3600 1.3599 .0001 -1 5 2
1.3100 1.3100 -.0000 0 -6 2
A= 4.6960 DA= .0007
B= 13.4000 DB= .0003
C= 3.30816 DC= .00004
GAMMA= 82.417 DGAMMA= .005
BETA = 98.640 DBETA = .004
ALPHA= 90.667 DALPHA= .001
V= 204.0
5. 12-0348
beta-NiMoO4
Triklin
Dexp Dcal d(D) h k l
6.7000 6.7079 -.0079 -1 1 0
6.2000 6.2054 -.0054 0 1 1
4.9700 4.9592 .0108 0 -1 1
4.6400 4.6350 .0050 1 1 1
4.4600 4.4582 .0018 -1 0 1
3.7800 3.7698 .0102 2 -1 1
3.5000 3.5006 -.0006 1 1 2
3.4200 3.4178 .0022 -1 -1 1
3.3500 3.3540 -.0040 -2 2 0
3.2700 3.2727 -.0027 0 -2 1
3.1200 3.1221 -.0021 0 -1 2
2.7700 2.7750 -.0050 2 1 2
A= 7.8998 DA= .0006
B= 8.8126 DB= .0004
C= 7.8789 DC= .0003
GAMMA=108.867 DGAMMA= .003
BETA = 74.7745 DBETA = .0009
ALPHA= 83.271 DALPHA= .002
V=488.4
6. 12-0751
LaNiO3
Rombik
Groupa 61
Dexp. Dcal. d(D) h k l
3.7900 3.7910 -.0010 0 2 1
3.4900 3.5076 -.0176 2 1 0
2.7700 2.7725 -.0025 2 0 2
2.7300 2.7393 -.0093 1 2 2
2.7000 2.6982 .0018 2 2 1
2.1500 2.1516 -.0016 0 4 0
1.9960 1.9936 .0024 2 3 2
1.9210 1.9206 .0004 4 0 0
1.6760 1.6755 .0005 0 4 3
a= 7.682 b= 8.606 c= 8.0117
da= .001 db= .004 dc= .0009
v= 529.7
7. 12-0832
C2H2NiO4
Triklin
Dexp Dcal d(D) h k l
8.4700 8.4953 -.0253 1 0 1
8.0400 8.0135 .0265 0 1 1
7.0400 7.0230 .0170 0 -1 1
6.6000 6.6063 -.0063 1 -1 1
4.8900 4.8879 .0021 -1 1 2
4.5000 4.4936 .0064 2 -1 1
4.3400 4.3431 -.0031 0 1 3
4.0600 4.0625 -.0025 0 -2 1
3.9900 3.9852 .0048 1 -1 3
3.8000 3.8002 -.0002 -1 1 3
3.5500 3.5493 .0007 1 2 2
3.3700 3.3734 -.0034 -1 -2 1
A= 9.5808 DA= .0003
B= 9.204 DB= .004
C= 14.17 DC= .01
GAMMA=102.60 DGAMMA= .03
BETA = 79.26 DBETA = .03
ALPHA= 84.42 DALPHA= .04
V= 1185.7
8. 13-0128
NiMoO4*xH2O
Monoklin
Grupa 3
exp Dcal d(D) h k l
8.2100 8.2203 -.0103 0 1 0
4.5700 4.5637 .0063 2 1 0
4.3000 4.2975 .0025 0 0 3
4.0600 4.0598 .0002 -1 1 3
3.2600 3.2585 .0015 2 1 2
2.9900 2.9864 .0036 3 1 1
2.8100 2.8098 .0002 1 0 4
2.6800 2.6802 -.0002 0 3 1
2.4600 2.4603 -.0003 0 1 5
2.3800 2.3795 .0005 1 3 2
2.2700 2.2739 -.0039 3 1 3
2.2000 2.1998 .0002 -3 1 6
a= 11.923 b= 8.220 c= 14.007 beta= 113.01
da=.003 db=.002 dc=.004 dbeta=.03
V= 1264
9. 13-0762
C28H28N4Ni
Triklin
Dexp Dcal d(D) h k l
12.0000 11.9991 .0009 1 0 0
10.5000 10.4993 .0007 -1 1 0
7.6300 7.6350 -.0050 0 1 1
6.4000 6.4025 -.0025 1 1 1
5.4400 5.4394 .0006 2 1 0
5.0400 5.0393 .0007 2 -1 1
4.7200 4.7313 -.0113 1 -3 1
4.0500 4.0503 -.0003 -2 -2 1
3.9000 3.9008 -.0008 -1 -1 2
3.5000 3.4998 .0002 -3 3 0
3.2300 3.2294 .0006 1 -5 1
3.0000 2.9998 .0002 4 0 0
A= 12.12676 DA= .00001
B= 17.26112 DB= .00002
C= 8.70678 DC= .00001
GAMMA= 97.77290 DGAMMA= .00001
BETA = 86.7092 DBETA = .0001
ALPHA= 92.47140 DALPHA= .00003
V=1801.6
10. 13-0765
C32H36N4Ni
Triklin
Dexp Dcal d(D) h k l
11.5000 11.5011 -.0011 1 0 0
10.2000 10.2180 -.0180 0 1 0
8.2800 8.2809 -.0009 0 1 1
7.2600 7.2664 -.0064 1 1 0
6.6500 6.6502 -.0002 -1 1 1
5.7700 5.7505 .0195 2 0 0
4.6400 4.6336 .0064 1 2 1
4.4200 4.4212 -.0012 -1 1 2
4.0400 4.0374 .0026 -2 2 0
3.8300 3.8337 -.0037 3 0 0
3.7300 3.7302 -.0002 3 0 1
3.6000 3.5970 .0030 -1 -1 2
A= 11.626 DA= .003
B= 10.67 DB= .01
C= 10.15 DC= .01
GAMMA= 94.25 DGAMMA= .03
BETA = 84.17 DBETA = .02
ALPHA= 74.39 DALPHA= .09
V= 1199.5
11. 13-0770
C32H36N4Ni
Triklin
Dexp Dcal d(D) h k l
9.5300 9.5192 .0108 1 0 1
7.3500 7.3516 -.0016 0 1 0
5.8200 5.8307 -.0107 1 -1 0
5.3900 5.3976 -.0076 2 0 1
4.7700 4.7720 -.0020 -1 1 1
4.5500 4.5493 .0007 2 1 1
4.0100 4.0114 -.0014 2 -1 0
3.7000 3.6989 .0011 2 0 3
3.5400 3.5397 .0003 3 0 2
3.4100 3.4084 .0016 -2 1 1
3.1500 3.1513 -.0013 1 -1 3
2.8600 2.8592 .0008 1 -2 2
A= 10.839 DA= .003
B= 7.489 DB= .002
C= 11.74 DC= .01
GAMMA= 84.87 DGAMMA= .05
BETA = 62.05 DBETA = .02
ALPHA= 79.00 DALPHA= .07
V=828.6
12. 13-0793
C34H36N4NiO4
Triklin
Dexp Dcal d(D) h k l
14.0000 14.0024 -.0024 1 0 0
12.6000 12.6141 -.0141 0 1 1
11.0000 10.9945 .0055 -1 1 1
9.3500 9.3457 .0043 0 -1 1
7.1500 7.1494 .0006 1 -1 1
5.6800 5.6765 .0035 2 -2 0
4.8000 4.8052 -.0052 0 4 0
4.6000 4.5984 .0016 0 4 2
4.3600 4.3602 -.0002 -2 2 3
4.1300 4.1270 .0030 1 4 2
3.9300 3.9302 -.0002 1 1 3
3.6600 3.6587 .0013 -2 5 1
A= 14.633 DA= .009
B= 20.366 DB= .004
C= 14.034 DC= .001
GAMMA= 95.85 DGAMMA= .01
BETA =106.88 DBETA = .04
ALPHA= 70.702 DALPHA= .004
V= 3777
13. 14-0275
Ni7S6
Triklin
Dexp Dcal d(D) h k l
5.6700 5.6805 -.0105 -1 2 0
4.6700 4.6696 .0004 -2 1 1
4.5000 4.4991 .0009 -2 -1 1
4.1100 4.1098 .0002 -3 0 1
3.9300 3.9311 -.0011 -3 1 1
3.4300 3.4296 .0004 -4 0 1
3.3200 3.3173 .0027 -4 -1 1
3.1400 3.1404 -.0004 4 1 1
2.9200 2.9208 -.0008 -3 -3 1
2.8410 2.8403 .0007 -2 4 0
2.7920 2.7911 .0009 1 0 2
2.7340 2.7340 .0000 0 -1 2
A= 15.94 DA= .03
B= 12.877 DB= .005
C= 5.8632 DC= .0004
GAMMA= 84.66 DGAMMA= .09
BETA = 95.21 DBETA = .08
ALPHA= 82.34 DALPHA= .01
V= 1180.8
14. 14-0357
Ni3S2
Geksagon
Groupa 186,190.194
Dexp. Dcal. d(D) h k l
3.0100 3.0164 -.0064 0 0 1
1.8500 1.8469 .0031 2 0 0
1.5760 1.5751 .0009 2 0 1
1.0660 1.0663 -.0003 2 2 0
a= 4.265 c= 3.017
da= .008 dc=.002
v= 47.5 dv= .15
15. 14-0364
Ni7S6
Triklin
Dexp Dcal d(D) h k l
5.7000 5.7039 -.0039 1 1 0
4.6800 4.6764 .0036 -1 1 0
4.1700 4.1666 .0034 1 -1 1
3.9300 3.9316 -.0016 -1 1 2
3.6000 3.5990 .0010 -1 -1 2
3.3100 3.3120 -.0020 2 0 0
3.2600 3.2608 -.0008 2 0 1
2.8600 2.8598 .0002 1 3 2
2.7940 2.7938 .0002 -2 0 2
2.7360 2.7413 -.0053 2 2 3
2.6000 2.5989 .0011 -2 -2 1
2.5250 2.5249 .0001 0 -1 4
A= 6.84905 DA= .00007
B= 8.777 DB= .002
C= 12.709 DC= .005
GAMMA= 76.05 DGAMMA= .03
BETA = 80.77 DBETA = .06
ALPHA= 69.35 DALPHA= .02
V=690.3
16. 14-0423
KNiIO6
Rombik
Groupa 32,55
Dexp. Dcal. d(D) h k l
6.0000 6.0449 -.0449 2 0 0
4.2900 4.2805 .0095 2 0 1
3.5200 3.5231 -.0031 1 1 0
3.0300 3.0311 -.0011 0 0 2
2.4800 2.4806 -.0006 3 1 1
2.3000 2.2977 .0023 1 1 2
2.0200 2.0208 -.0008 0 0 3
1.9100 1.9121 -.0021 6 0 1
1.8200 1.8205 -.0005 1 2 0
1.6200 1.6218 -.0018 3 1 3
1.5600 1.5606 -.0006 1 2 2
1.4700 1.4701 -.0001 2 0 4
1.4300 1.4291 .0009 5 1 3
1.3900 1.3897 .0003 7 1 2
1.2900 1.2895 .0005 3 2 3
a=12.09 b= 3.683 c= 6.062
da= .01 db= .001 dc= .003
V=269.9
Triklin
Dexp Dcal d(D) h k l
6.0000 5.9964 .0036 1 0 0
4.2900 4.2901 -.0001 1 -1 0
3.5200 3.5225 -.0025 -1 1 1
3.0300 3.0248 .0052 1 1 0
2.4800 2.4817 -.0017 -1 2 1
2.3000 2.3011 -.0011 -1 2 0
2.0200 2.0201 -.0001 -1 1 2
1.9100 1.9102 -.0002 -1 2 2
1.8200 1.8214 -.0014 -3 2 0
1.6200 1.6203 -.0003 2 2 1
1.5600 1.5597 .0003 -1 3 2
1.4700 1.4699 .0001 2 2 2
1.4300 1.4300 -.0000 -3 3 0
1.3900 1.3900 .0000 0 1 3
1.2900 1.2897 .0003 -4 3 0
A= 6.4203 DA= .0005
B= 5.075 DB= .002
C= 4.223 DC= .001
GAMMA=109.95 DGAMMA= .01
BETA = 92.717 DBETA = .006
ALPHA= 65.07 DALPHA= .03
V= 116.51
17. 14-0425
NaNiIO6
Rombik
Groupa 54
Dexp. Dcal. d(D) h k l
5.1200 5.1408 -.0208 0 0 2
4.2900 4.2993 -.0093 2 0 0
3.3000 3.2980 .0020 2 0 2
2.4900 2.4923 -.0023 0 1 0
2.2400 2.2426 -.0026 0 1 2
1.9900 1.9884 .0016 2 1 2
1.7900 1.7893 .0007 0 1 4
1.5600 1.5598 .0002 1 1 5
1.4300 1.4293 .0007 5 0 4
1.3800 1.3805 -.0005 6 0 2
1.2850 1.2852 -.0002 0 0 8
a= 8.599 b= 2.492 c=10.281
da= .004 db= .001 dc= .009
V= 220.3
18. 14-0594
Ni{NO3}2*2H2O
Triklin
Dexp Dcal d(D) h k l
5.7500 5.7388 .0112 0 1 1
4.8300 4.8363 -.0063 1 0 0
4.1300 4.1285 .0015 -1 -1 1
3.7200 3.7245 -.0045 1 1 1
3.4300 3.4329 -.0029 0 2 0
3.3800 3.3725 .0075 0 2 1
2.9600 2.9543 .0057 -1 -2 1
2.9380 2.9383 -.0003 1 2 1
2.7800 2.7813 -.0013 1 0 2
2.6200 2.6214 -.0014 -1 2 1
2.5400 2.5379 .0021 -1 2 0
2.4800 2.4834 -.0034 1 2 2
A= 5.09465 DA= .00005
B= 7.10410 DB= .00000
C= 8.42881 DC= .00004
GAMMA= 78.698 DGAMMA= .0004
BETA =102.7640 DBETA = .0007
ALPHA= 83.1985 DALPHA= .0006
V=287.5
19. 14-0595
Ni{NO3}2*4H2O
Triklin
Dexp Dcal d(D) h k l
6.7700 6.8497 -.0797 1 0 1
4.8800 4.8701 .0099 1 -1 1
4.7500 4.7698 -.0198 0 -1 2
4.4000 4.4027 -.0027 1 0 3
4.0300 4.0277 .0023 0 0 4
3.9500 3.9490 .0009 -1 1 3
3.3800 3.3819 -.0019 -2 0 2
3.3500 3.3543 -.0043 -1 1 4
3.1700 3.1665 .0035 0 2 2
2.9000 2.8965 .0035 -1 -1 4
2.8100 2.8128 -.0028 -2 -1 2
2.8100 2.8128 -.0028 -2 -1 2
A= 7.5710 DA= .0003
B= 6.623 DB= .002
C= 16.26 DC= .00006
GAMMA= 97.26 DGAMMA= .01
BETA = 90.015 DBETA = .002
ALPHA= 82.57 DALPHA= .02
V=802.3
20. 14-0645
NaNiF3*H2O
Triklin
Dexp Dcal d(D) h k l
4.7900 4.7875 .0025 0 1 1
4.5600 4.5582 .0018 0 -1 1
4.0700 4.0685 .0015 -1 0 1
3.9600 3.9648 -.0048 -2 1 0
3.8400 3.8414 -.0014 -1 2 0
3.2300 3.2347 -.0047 0 0 2
3.1200 3.1147 .0053 -1 2 1
2.9600 2.9577 .0023 2 0 2
2.7200 2.7218 -.0018 2 1 1
2.6720 2.6724 -.0004 -2 2 1
2.5000 2.4993 .0007 3 -2 2
2.4100 2.4110 -.0010 1 -3 1
A= 8.5894 DA= .0004
B= 7.771 DB= .001
C= 7.0097 DC= .0005
GAMMA=119.673 DGAMMA= .004
BETA = 67.527 DBETA = .001
ALPHA= 98.623 DALPHA= .003
V=375.1
21. 14-0619
Na2Ni{SO4}2*4H2O
Triklin
Dexp Dcal d(D) h k l
6.5800 6.5797 .0003 0 1 1
5.5100 5.5035 .0065 -1 1 1
4.5600 4.5607 -.0007 0 -1 1
4.2200 4.2249 -.0049 1 1 0
4.0000 4.0013 -.0013 0 0 2
3.7600 3.7655 -.0055 0 2 1
3.2500 3.2513 -.0013 1 -1 2
3.0300 3.0297 .0003 2 0 2
2.9500 2.9527 -.0027 2 -2 1
2.7000 2.7017 -.0017 1 0 3
2.6500 2.6521 -.0021 -3 1 0
2.6200 2.6217 -.0017 0 2 3
A= 8.021 DA= .002
B= 8.203 DB= .003
C= 8.582 DC= .002
GAMMA=112.76 DGAMMA= .01
BETA = 85.4826 DBETA = .0001
ALPHA= 72.87 DALPHA= .02
V= 485.56
22. 14-0721
C4H6NiO4*4H2O
Triklin
Dexp Dcal d(D) h k l
7.4000 7.3917 .0083 0 1 1
6.9000 6.8914 .0086 0 -1 1
5.9000 5.8989 .0011 1 1 0
4.7500 4.7395 .0105 1 1 2
4.4800 4.4791 .0009 0 2 1
4.2500 4.2504 -.0004 0 -2 1
4.0000 3.9989 .0011 1 2 1
3.8200 3.8178 .0022 2 -1 2
3.5700 3.5686 .0014 1 1 3
3.1400 3.1428 -.0028 2 1 3
3.0300 3.0298 .0002 1 -3 1
2.9500 2.9495 .0005 2 2 0
A= 8.889 DA= .005
B= 9.621 DB= .001
C= 11.493 DC= .003
GAMMA= 95.90 DGAMMA= .01
BETA = 69.21 DBETA = .03
ALPHA= 88.341 DALPHA= .001
V= 911.7
23. 14-0742
C2NiO4*2H2O
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
4.7200 4.7103 .0097 0 0 2
3.9000 3.9008 -.0008 3 0 0
2.9600 2.9597 .0003 3 1 0
2.5200 2.5226 -.0026 1 1 3
2.1800 2.1804 -.0004 4 1 2
2.0600 2.0584 .0016 1 1 4
1.9100 1.9099 .0001 6 0 1
1.8600 1.8602 -.0002 1 0 5
1.5700 1.5701 -.0001 0 0 6
a=11.7023 b= 4.544 c= 9.421
da= .0009 db= .004 dc= .003
V= 500.9
24. 14-0746
C2h2NiO4*2H2O
Triklin
Dexp Dcal d(D) h k l
4.8700 4.8693 .0007 1 1 0
4.5300 4.5314 -.0014 1 1 1
4.2400 4.2408 -.0008 1 -1 1
3.9300 3.9293 .0007 -1 -1 1
3.6300 3.6299 .0001 0 2 0
3.3400 3.3376 .0024 2 1 0
3.1200 3.1202 -.0002 2 1 1
3.0200 3.0184 .0016 3 0 0
2.7800 2.7793 .0007 -3 0 2
2.7000 2.7020 -.0020 2 -2 1
2.5800 2.5804 -.0004 -4 2 3
2.4200 2.4199 .0001 0 3 0
A= 11.034 DA= .007
B= 9.5350 DB= .0005
C= 10.456 DC= .003
GAMMA=122.28 DGAMMA= .06
BETA =118.34 DBETA = .1
ALPHA= 54.76 DALPHA= .01
V= 737.3
25. 14-0796
C2H2NiO4
Triklin
Dexp Dcal d(D) h k l
8.4700 8.4961 -.0261 1 0 1
8.0400 8.0129 .0271 0 1 1
7.0400 7.0221 .0179 0 -1 1
6.6000 6.6064 -.0064 1 -1 1
4.8900 4.8876 .0024 -1 1 2
4.5000 4.4941 .0059 2 -1 1
4.3400 4.3428 -.0028 0 1 3
4.0600 4.0620 -.0020 0 -2 1
3.9900 3.9850 .0050 1 -1 3
3.8000 3.8000 .0000 -1 1 3
3.5500 3.5491 .0009 1 2 2
3.3700 3.3730 -.0030 -1 -2 1
A= 9.58195 DA= .00006
B= 9.20338 DB= .00007
C= 14.17002 DC= .00005
GAMMA=102.6040 DGAMMA= .0001
BETA = 79.2562 DBETA = .0002
ALPHA= 84.41533 DALPHA= .00005
V=1185.7
26. 14-0813
C2H2Ni*2H2O
Triklin
Dexp Dcal d(D) h k l
4.8600 4.8573 .0027 0 1 1
4.5700 4.5808 -.0108 0 -1 1
4.5200 4.5210 -.0010 -1 -1 1
4.2500 4.2553 -.0053 1 1 1
3.6600 3.6651 -.0051 -1 1 1
3.5400 3.5412 -.0012 1 2 0
3.3700 3.3694 .0006 0 2 0
3.3000 3.2969 .0031 0 0 2
3.1300 3.1276 .0024 -1 -2 1
3.0300 3.0324 -.0024 0 1 2
2.8000 2.8019 -.0019 1 1 2
2.7200 2.7214 -.0014 -1 1 2
A= 7.161 DA= .005
B= 7.184 DB= .004
C= 6.649 DC= .001
GAMMA= 70.00 DGAMMA= .02
BETA = 96.57 DBETA = .03
ALPHA= 89.11 DALPHA= .02
V= 318.7