1. 49-0664
Cu2In2O5
Geksagon
Groupa 186,190,194
Dexp. Dcal. d(D) h k l
2.8800 2.8802 -.0002 2 0 1
2.5100 2.5102 -.0002 0 0 2
2.3500 2.3492 .0008 2 1 1
2.0300 2.0303 -.0003 2 2 0
a= 8.121 c= 5.0204
da=.002 dc=.0004
V= 286.7
2. 49-0913
Na2O*CuO*Al2O3*SiO2*H2O
Triklin
Dexp Dcal d(D) h k l
7.0810 7.0908 -.0098 0 1 1
5.7166 5.7138 .0028 0 -1 1
5.0107 5.0105 .0002 -1 1 0
4.3959 4.3977 -.0018 1 1 0
4.1140 4.1127 .0013 0 0 2
3.7855 3.7844 .0011 -1 -1 1
3.3264 3.3269 -.0005 -1 0 2
3.1865 3.1867 -.0002 1 0 2
2.8566 2.8569 -.0003 0 -2 2
2.6749 2.6748 .0001 -2 1 0
2.5031 2.5030 .0001 0 -1 3
2.4422 2.4422 .0000 0 4 0
2.3678 2.3678 .0000 1 3 2
1.7744 1.7744 .0000 3 0 0
A= 5.4053 DA= .0001
B= 10.1487 DB= .0006
C= 8.451 DC= .001
GAMMA= 99.68 DGAMMA= .01
BETA = 94.63 DBETA = .01
ALPHA= 76.971 DALPHA= .002
V= 444.8
3. 49-1001
Cu{NH4}2{P2O7}2*32H2O
Triklin
Dexp Dcal d(D) h k l
8.7500 8.7559 -.0059 0 1 0
6.1300 6.1302 -.0002 -1 0 1
5.4700 5.4704 -.0004 0 -1 2
4.7000 4.7027 -.0027 0 -2 1
4.3700 4.3709 -.0009 1 -2 1
3.9000 3.9057 -.0057 0 1 2
3.6300 3.6319 -.0019 2 0 1
3.5800 3.5804 -.0004 -2 0 1
3.4100 3.4107 -.0007 0 -2 3
3.3400 3.3381 .0019 2 -1 2
3.3000 3.2971 .0029 1 -2 3
3.0700 3.0691 .0009 2 1 1
A= 7.8055 DA= .0001
B= 9.5690 DB= .0002
C= 11.31253 DC= .00264
GAMMA=100.17 DGAMMA= .01
BETA = 85.0346 DBETA = .0006
ALPHA=112.13 DALPHA= .02
V= 770.23
Triklin
Dexp Dcal d(D) h k l
8.9900 8.9973 -.0073 1 0 0
6.2000 6.2153 -.0153 0 1 0
5.5100 5.5094 .0006 -1 0 1
4.7500 4.7489 .0011 1 -1 1
4.4100 4.4122 -.0022 -1 -1 1
3.9200 3.9188 .0012 1 -1 2
3.6600 3.6587 .0013 -1 0 2
3.5900 3.5902 -.0002 1 0 3
3.4400 3.4377 .0023 2 0 3
3.3700 3.3655 .0045 -2 1 0
3.3100 3.3016 .0084 3 0 1
3.0800 3.0799 .0001 1 2 1
A= 10.188 DA= .005
B= 6.331 DB= .003
C= 10.83 DC= .02
GAMMA= 79.18 DGAMMA= .08
BETA = 63.91 DBETA = .08
ALPHA= 86.75 DALPHA= .08
V= 615.7
4. 49-1003
CuH0.8{P2O7}2{NH4}1.2*0.2H2O
Triklin
Dexp Dcal d(D) h k l
8.8800 8.8779 .0021 1 0 0
6.2100 6.1979 .0121 0 1 1
5.5100 5.5146 -.0046 0 -1 1
4.7300 4.7264 .0036 -1 1 1
4.4400 4.4389 .0011 2 0 0
3.9300 3.9311 -.0011 2 0 1
3.6600 3.6599 .0001 0 -2 1
3.6000 3.6042 -.0042 -2 -1 1
3.4400 3.4427 -.0027 -1 2 1
3.3600 3.3544 .0056 -2 1 1
3.3200 3.3280 -.0080 2 -1 1
3.1500 3.1467 .0033 1 -1 2
A= 9.05 DA= .01
B= 9.073 DB= .009
C= 7.817 DC= .002
GAMMA= 79.00 DGAMMA= .08
BETA = 85.99 DBETA = .04
ALPHA= 82.64 DALPHA= .03
V= 624.5
5. 49-1004
3Cu*2{P2O5}*0.3{NH3}*0.2H2O
Triklin
Dexp Dcal d(D) h k l
13.2600 13.3453 -.0853 1 0 0
6.6200 6.6285 -.0085 -1 1 0
5.6900 5.6965 -.0065 0 0 1
5.0700 5.0730 -.0030 -1 0 1
4.9700 4.9779 -.0079 1 -1 1
4.5800 4.5703 .0097 -1 -1 1
4.3200 4.3258 -.0058 2 -1 1
4.0800 4.0793 .0007 0 1 1
3.9400 3.9338 .0062 1 1 1
3.8100 3.8213 -.0113 -2 -1 1
3.4400 3.4354 .0046 -2 1 1
3.3600 3.3591 .0009 -3 0 1
A= 13.46 DA= .01
B= 7.582 DB= .003
C= 5.884 DC= .003
GAMMA= 95.12 DGAMMA= .02
BETA = 83.69 DBETA = .03
ALPHA=103.53 DALPHA= .01
V= 578.8
6. 49-1005
3CuO*2{P2O5}*0.01H2O
Triklin
Dexp Dcal d(D) h k l
12.9400 12.9326 .0074 1 0 0
11.2900 11.2379 .0521 0 1 0
10.3500 10.3535 -.0035 -1 0 1
6.4400 6.4513 -.0113 1 -1 1
6.0600 6.0692 -.0092 -1 0 2
5.3900 5.3933 -.0033 -2 1 1
5.0700 5.0689 .0011 2 0 1
4.9700 4.9710 -.0010 -2 -1 2
4.5700 4.5677 .0023 1 -1 2
4.3100 4.3109 -.0009 3 0 0
4.1000 4.1010 -.0010 -2 -2 2
3.8200 3.8238 -.0038 2 0 2
A= 13.589 DA= .004
B= 11.352 DB= .004
C= 12.4152 DC= .0007
GAMMA= 84.960 DGAMMA= .003
BETA =107.66 DBETA = .01
ALPHA= 97.615 DALPHA= .004
V= 1806.7
7. 49-1006
3.9CuO*2{P2O5}
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.8600 12.9404 -.0804 1 0 0
11.0500 11.0681 -.0181 1 0 1
8.9600 8.9783 -.0183 1 1 0
6.5000 6.4702 .0298 2 0 0
6.0200 6.0357 -.0157 1 1 2
5.5300 5.5341 -.0041 2 0 2
4.9900 4.9889 .0011 -1 2 1
4.5700 4.5652 .0048 0 0 3
4.3200 4.3135 .0065 3 0 0
4.1000 4.1009 -.0009 2 1 3
3.8100 3.8209 -.0109 -3 0 1
3.7200 3.7179 .0021 -1 3 1
a= 13.472 b= 12.467 c= 14.259 beta= 73.84
da= .005 db=.005 dc= .003 dbeta=.02
V= 2300.4
Triklin
Dexp Dcal d(D) h k l
12.8600 12.8749 -.0149 1 0 0
11.0500 11.0416 .0084 -1 1 0
8.9600 8.9579 .0021 -1 0 1
6.5000 6.5106 -.0106 -1 2 0
6.0200 6.0284 -.0084 1 -2 1
5.5300 5.5208 .0092 -2 2 0
4.9900 4.9899 .0001 -1 0 2
4.5700 4.5648 .0052 0 2 1
4.3200 4.3174 .0026 -1 -2 2
4.1000 4.1000 .0000 0 3 0
3.8100 3.8098 .0002 -1 -3 1
3.7200 3.7212 -.0012 -2 -2 2
A= 13.950 DA= .009
B= 13.60 DB= .01
C= 10.402 DC= .002
GAMMA=106.97 DGAMMA= .09
BETA = 99.640 DBETA = .006
ALPHA=104.968 DALPHA= .008
V= 1759.6
8. 49-1145
Cu4H{PO4}3*3H2O
Triklin
Dexp Dcal d(D) h k l
10.3500 10.4980 -.1480 0 1 0
7.3000 7.3243 -.0243 -1 1 0
6.7000 6.6995 .0005 0 1 1
5.7000 5.7026 -.0026 0 -1 1
5.0000 5.0181 -.0181 -1 2 0
4.7000 4.7002 -.0002 0 2 1
4.3100 4.3021 .0079 2 -1 1
4.1000 4.0948 .0052 1 2 1
3.7000 3.6964 .0036 2 -2 1
3.5000 3.4993 .0007 0 3 0
3.3100 3.3157 -.0057 2 1 2
3.1600 3.1601 -.0001 -2 1 1
A= 8.95 DA= .01
B= 10.891 DB= .003
C= 8.331 DC= .002
GAMMA=102.10 DGAMMA= .01
BETA = 67.23 DBETA = .03
ALPHA= 85.954 DALPHA= .007
V= 721.9
9. 49-1439
Al8Cu2Ge5Mn5
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
3.7782 3.7784 -.0002 0 0 2
3.2759 3.2754 .0005 1 1 0
2.1263 2.1258 .0005 1 2 0
2.0210 2.0212 -.0002 2 1 0
1.4868 1.4870 -.0002 1 3 1
1.2501 1.2501 .0000 2 0 5
a= 4.449 b= 4.8400 c= 7.557
da= .001 db= .0002 dc= .001
v= 162.71
10. 49-1922
C10H15CuN3O6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.4787 9.4600 .0187 0 1 0
7.2074 7.2088 -.0014 1 1 0
6.9266 6.9315 -.0049 1 1 1
5.0575 5.0599 -.0024 2 1 1
4.3980 4.3967 .0013 -2 0 1
4.1539 4.1533 .0006 1 0 3
3.3955 3.3951 .0004 3 0 3
a= 12.048 b= 9.460 c= 12.470 beta=67.512
da= .001 db=.001 dc=.0004 dbet=.008
V= 1313.3
11. 49-1955
C6H14CuO4
Triklin
Dexp Dcal d(D) h k l
16.4000 17.2034 -.8034 0 1 0
8.8000 8.7795 .0205 -1 1 0
8.4000 8.3994 .0006 0 1 1
7.9000 7.9062 -.0062 0 -1 1
7.6000 7.5863 .0137 1 1 0
7.0000 6.9955 .0045 1 -1 1
5.0200 5.0391 -.0191 0 3 1
4.5500 4.5498 .0002 1 0 2
4.1900 4.1866 .0034 -1 4 0
3.6600 3.6597 .0003 1 4 0
3.4400 3.4407 -.0007 0 5 0
3.1600 3.1610 -.0010 3 -1 1
A= 9.565 DA= .001
B= 17.482 DB= .005
C= 9.479 DC= .001
GAMMA= 99.377 DGAMMA= .005
BETA = 77.848 DBETA = .009
ALPHA= 87.965 DALPHA= .003
V= 1524.8
12. 49-1993
3C4NO2Cl2*2H2O
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
5.4980 5.4968 .0012 0 1 2
4.9270 4.9252 .0018 0 2 0
4.8320 4.8457 -.0137 1 0 2
4.3490 4.3481 .0009 1 1 2
4.0400 4.0481 -.0081 1 2 0
3.7470 3.7510 -.0040 1 0 3
2.9880 2.9842 .0038 2 1 2
2.8840 2.8818 .0022 2 2 0
2.8780 2.8818 -.0038 2 2 0
2.6360 2.6349 .0011 0 3 3
a= 7.107 b=9.850308 c=13.25
da= .007 db=.004842 dc= .02
v= 927
13. 49-2014
C5H8ClCuNO4*H2O
Triklin
Dexp Dcal d(D) h k l p
10.4000 10.4041 -.0041 1 0 0 0
6.3300 6.3288 .0012 -1 1 1 1
5.2200 5.2179 .0021 1 -1 1 4
4.3100 4.3124 -.0024 0 1 2 10
4.0600 4.0566 .0034 -2 2 0 18
3.9700 3.9734 -.0034 -2 0 1 20
3.9000 3.8933 .0067 2 1 0 43
3.7200 3.7214 -.0014 0 2 2 10
3.4400 3.4395 .0005 3 -1 1 4
3.2800 3.2841 -.0041 0 -2 1 52
3.1800 3.1802 -.0002 2 -1 2 3
3.0400 3.0406 -.0006 3 1 1 9
A= 11.135 DA= .001
B= 9.678 DB= .002
C= 8.707 DC= .006
GAMMA=106.58 DGAMMA= .02
BETA = 83.96 DBETA = .01
ALPHA= 70.33 DALPHA= .02
V= 825.5
14. 49-2092
C3H2Cu2N0.6S2O8
Monoklin
Grupa 7,13
Dexp Dcal d(D) h k l
8.9828 8.9645 .0183 2 0 0
8.4464 8.4446 .0018 0 0 2
6.3330 6.3500 -.0170 0 1 0
6.0451 6.0518 -.0067 -3 0 2
5.0659 5.0752 -.0093 0 1 2
4.6848 4.6801 .0047 2 1 1
4.3503 4.3520 -.0017 3 1 0
3.8549 3.8557 -.0008 -5 0 2
3.6632 3.6619 .0013 4 1 0
3.2068 3.2053 .0015 -5 1 3
2.7026 2.7038 -.0012 6 1 0
a= 19.310 b= 6.35 c=18.19 beta= 111.8
da=.002 db=.01 dc=.03 dbeta=.1
V= 2071
Triklin
Dexp Dcal d(D) h k l
8.9828 8.9781 .0047 1 0 0
8.4464 8.4494 -.0030 -1 1 0
6.3330 6.3255 .0075 1 0 1
6.0451 6.0453 -.0002 0 -1 1
5.0659 5.0645 .0014 0 2 1
4.6848 4.6852 -.0004 -2 1 0
4.3503 4.3509 -.0006 1 2 0
3.8549 3.8556 -.0007 0 1 2
3.6632 3.6627 .0005 -2 0 1
3.2068 3.2067 .0001 1 3 1
2.7026 2.7027 -.0001 3 1 1
A= 9.457 DA= .002
B= 12.37 DB= .01
C= 7.874 DC= .006
GAMMA=106.43 DGAMMA= .09
BETA = 84.11 DBETA = .02
ALPHA= 83.23 DALPHA= .06
V= 868.7
15. 49-2093
C6H4CuNSO4
Triklin
Dexp Dcal d(D) h k l
9.8457 9.8483 -.0026 1 0 0
7.0333 7.0365 -.0032 -1 1 0
6.1808 6.1863 -.0055 1 -1 1
4.9314 4.9347 -.0033 0 2 0
4.7860 4.7853 .0007 0 -2 1
4.4506 4.4498 .0008 2 0 1
4.3780 4.3795 -.0015 1 2 0
3.8374 3.8379 -.0005 -2 -1 1
3.5178 3.5178 .0000 1 -2 2
3.4529 3.4539 -.0010 2 2 0
3.3240 3.3240 .0000 1 1 2
3.2533 3.2550 -.0017 1 -3 1
2.5058 2.5054 .0004 1 -4 1
2.3832 2.3830 .0002 1 4 0
2.2765 2.2764 .0001 -1 -4 2
A= 9.943 DA= .001
B= 10.230 DB= .002
C= 8.3326 DC= .0001
GAMMA= 93.071 DGAMMA= .003
BETA = 82.174 DBETA = .003
ALPHA=105.23 DALPHA= .02
V= 810.0
16. 49-2094
C6H4CuNS1-xO4-3x
Triklin
Dexp Dcal d(D) h k l
6.4896 6.4927 -.0031 0 -1 1
4.7867 4.7873 -.0006 0 -1 3
3.6343 3.6322 .0021 -1 1 0
3.5206 3.5184 .0022 -1 1 1
3.8442 3.8444 -.0002 1 0 0
2.7804 2.7784 .0020 -1 2 0
2.6217 2.6208 .0009 0 -2 5
2.5305 2.5310 -.0005 0 2 4
2.3278 2.3279 -.0001 1 -2 5
2.2585 2.2585 -.0000 -1 1 6
2.0899 2.0903 -.0004 -1 3 0
1.9632 1.9633 -.0001 -1 0 8
1.8706 1.8710 -.0004 2 -1 3
1.8092 1.8091 .0001 -1 2 7
1.7165 1.7163 .0002 -1 -3 4
1.5765 1.5765 -.0000 -1 4 2
A= 3.9139 DA= .0003
B= 6.7966 DB= .0005
C= 18.373 DC= .008
GAMMA=100.82 DGAMMA= .03
BETA = 88.87 DBETA = .01
ALPHA= 97.34 DALPHA= .03
V= 476.1
17. 49-2118
C34H22CuO4
Triklin
Dexp Dcal d(D) h k l
9.2200 9.2382 -.0182 1 0 0
8.9500 8.9446 .0054 1 1 0
7.4200 7.4189 .0011 -1 0 1
6.6900 6.6959 -.0059 0 -1 1
5.5600 5.5588 .0012 1 2 1
5.0000 5.0053 -.0053 0 1 2
4.8200 4.8189 .0011 -1 -2 1
4.5000 4.5005 -.0005 -1 1 2
4.4700 4.4723 -.0023 2 2 0
4.3100 4.3076 .0024 1 1 2
4.1000 4.1005 -.0005 2 2 1
3.7200 3.7203 -.0003 2 3 0
A= 9.876 DA= .009
B= 13.17 DB= .01
C= 10.148 DC= .001
GAMMA= 72.24 DGAMMA= .09
BETA = 95.91 DBETA = .06
ALPHA= 76.572 DALPHA= .005
V= 1200.4
18. 49-2257
C12H33Br2CuN3O9
Triklin
Dexp Dcal d(D) h k l
11.1300 11.0998 .0302 1 0 0
10.1100 10.0963 .0137 -1 1 0
8.4700 8.4671 .0029 0 1 1
7.3500 7.3572 -.0072 -1 0 1
6.8400 6.8249 .0151 1 0 1
5.9300 5.9128 .0172 -2 1 0
5.1400 5.1443 -.0043 -2 2 1
4.9200 4.9191 .0009 -2 0 1
4.7600 4.7481 .0119 0 1 2
4.3600 4.3626 -.0026 -1 0 2
4.0900 4.0920 -.0020 -2 1 2
4.0300 4.0279 .0021 0 3 1
A= 12.148 DA= .006
B= 13.34 DB= .01
C= 9.754 DC= .006
GAMMA=113.61 DGAMMA= .04
BETA =101.41 DBETA = .06
ALPHA= 70.80 DALPHA= .05
V=1364.1
19. 49-2258
C20H55CuIN5O15
Triklin
Dexp Dcal d(D) h k l
10.4800 10.4949 -.0149 1 0 0
7.8700 7.8792 -.0092 -1 1 1
7.0600 7.0483 .0117 -1 -1 1
5.7800 5.7802 -.0002 -1 2 1
5.7200 5.7162 .0038 -2 1 1
5.2000 5.1977 .0023 1 -2 1
4.6400 4.6395 .0005 -1 1 2
4.5200 4.5236 -.0036 0 -1 2
4.1100 4.1118 -.0018 2 -1 1
3.9600 3.9599 .0001 2 -2 1
3.6300 3.6299 .0001 -1 4 0
3.6300 3.6299 .0001 -1 4 0
A= 11.9334 DA= .0001
B= 14.5255 DB= .0002
C= 9.9132 DC= .0002
GAMMA=106.58 DGAMMA= .01
BETA =111.929 DBETA = .004
ALPHA= 91.546 DALPHA= .004
V=1510.5
1. 50-0461
Y{Ba0.5Sr0,5}Cu3.5O10+x
Triklin
Dexp Dcal d(D) h k l
3.7020 3.7031 -.0011 -1 -2 1
3.6260 3.6208 .0052 0 -2 1
3.1800 3.1835 -.0035 0 2 1
3.1560 3.1560 -.0000 -2 -2 1
2.8570 2.8574 -.0004 0 0 2
2.8220 2.8228 -.0008 0 -1 2
2.7040 2.7037 .0003 -2 2 0
2.4820 2.4835 -.0015 2 3 0
2.3150 2.3146 .0004 1 3 1
2.1190 2.1194 -.0004 2 0 2
2.1100 2.1104 -.0004 1 4 0
2.0600 2.0601 -.0001 0 -4 1
A= 8.414 DA= .003
B= 8.623 DB= .001
C= 5.952 DC= .001
GAMMA= 79.02 DGAMMA= .01
BETA =104.33 DBETA = .02
ALPHA=100.074 DALPHA= .004
V=407.0
2. 50-0663
CH2CuO3
Triklin
Dexp Dcal d(D) h k l
6.7690 6.7765 -.0075 0 1 1
5.4370 5.4352 .0018 1 2 0
4.5550 4.5517 .0033 2 1 1
3.7830 3.7842 -.0012 1 0 2
3.5290 3.5287 .0003 1 3 1
3.3890 3.3882 .0008 0 2 2
3.3400 3.3405 -.0005 3 0 0
3.1780 3.1778 .0002 -3 -1 1
2.8660 2.8663 -.0003 3 3 1
2.7340 2.7342 -.0002 3 -1 1
2.6870 2.6891 -.0021 0 1 3
2.6670 2.6660 .0010 1 1 3
A= 10.6227 DA= .0001
B= 11.1809 DB= .0004
C= 8.17334 DC= .00002
GAMMA= 70.661 DGAMMA= .001
BETA = 86.790 DBETA = .001
ALPHA= 83.183 DALPHA= .001
V=909.5
3. 50-0692
Al5.1CuLi3
Triklin
Dexp Dcal d(D) h k l
5.9050 5.9051 -.0001 0 0 1
4.2380 4.2389 -.0009 0 -2 1
3.6820 3.6810 .0010 -1 0 1
3.4580 3.4592 -.0012 1 -1 1
2.3820 2.3814 .0006 -1 1 2
2.3320 2.3312 .0008 0 5 0
2.2640 2.2637 .0003 -2 1 0
2.0160 2.0157 .0003 -1 -4 2
1.9940 1.9942 -.0002 -1 3 2
1.9270 1.9275 -.0005 0 1 3
1.7550 1.7549 .0001 1 2 3
1.6410 1.6411 -.0001 1 -3 3
A= 4.8209 DA= .0004
B= 11.812 DB= .001
C= 5.9106 DC= .0006
GAMMA= 81.000 DGAMMA= .001
BETA = 89.570 DBETA = .004
ALPHA= 92.341 DALPHA= .007
V= 332.1
4. 50-2084
C20H22CuO4*2H2O
Triklin
Dexp Dcal d(D) h k l
6.6150 6.6010 .0140 0 1 1
6.3670 6.3637 .0033 1 1 0
6.1570 6.1642 -.0072 0 -1 1
6.0750 6.0735 .0015 1 1 1
5.6060 5.5872 .0188 -1 1 0
5.2110 5.2085 .0025 -1 -1 1
4.8110 4.8144 -.0034 0 1 2
4.4770 4.4776 -.0006 0 -1 2
4.3010 4.2997 .0013 2 1 0
4.0760 4.0659 .0101 2 0 2
3.8600 3.8598 .0002 2 1 2
3.7380 3.7434 -.0054 2 -1 1
A= 9.7886 DA= .0001
B= 7.7010 DB= .0005
C= 11.962 DC= .001
GAMMA= 81.445 DGAMMA= .004
BETA = 79.04 DBETA = .01
ALPHA= 84.21 DALPHA= .01
V=873.1
5. 50-2206
C72H6oCl6Cu4O5P4
Triklin
Dexp Dcal d(D) h k l
11.9460 11.9495 -.0035 0 0 1
8.5057 8.5064 -.0007 0 -2 1
6.9320 6.9286 .0034 -1 -1 1
6.0137 6.0176 -.0039 -1 1 1
5.4049 5.4071 -.0022 -1 2 0
4.9415 4.9514 -.0099 0 3 1
4.0897 4.0823 .0074 0 -2 3
4.0383 4.0406 -.0023 1 0 2
3.8354 3.8332 .0022 0 -5 1
3.6582 3.6574 .0008 1 -4 1
3.5051 3.5070 -.0019 -2 -1 2
3.2514 3.2507 .0007 0 4 2
A= 7.294 DA= .001
B= 19.375 DB= .005
C= 12.9752 DC= .0004
GAMMA= 81.877 DGAMMA= .008
BETA =106.903 DBETA = .003
ALPHA=107.351 DALPHA= .005
V= 1671.8
6. 50-2207
C72H60Br3Cl3Cu4O5P4
Triklin
Dexp Dcal d(D) h k l
14.2550 14.2466 .0084 0 1 1
8.6721 8.6746 -.0025 0 -1 1
8.1916 8.1966 -.0050 1 1 0
7.8096 7.8071 .0025 1 0 1
7.3750 7.3762 -.0012 0 2 0
7.0642 7.0667 -.0025 1 2 2
5.6443 5.6398 .0045 1 2 3
4.7374 4.7401 -.0027 1 -1 2
4.1655 4.1643 .0012 2 0 1
3.8951 3.8961 -.0010 2 1 3
3.7587 3.7580 .0007 2 4 3
3.6289 3.6278 .0011 2 2 4
A= 9.1198 DA= .007
B= 18.08 DB= .01
C= 17.84 DC= .01
GAMMA= 66.71 DGAMMA= .06
BETA = 69.91 DBETA = .06
ALPHA= 57.87 DALPHA= .04
V= 2254.2