PDF-44

44-0117
CaSi2O2N2
Triklin

Dexp Dcal d(D) h k l
4.7200 4.7180 .0020 -1 1 2
4.1020 4.0979 .0041 2 0 0
4.0960 4.0961 -.0001 -2 2 0
3.3270 3.3264 .0006 0 -2 1
3.2500 3.2505 -.0005 2 -2 1
3.1760 3.1786 -.0026 -1 1 3
3.0890 3.0909 -.0019 2 0 2
2.9980 2.9973 .0007 -2 3 3
2.9220 2.9220 -.0000 0 0 3
2.8820 2.8821 -.0001 -2 4 2
2.8100 2.8082 .0018 1 0 3
2.7430 2.7431 -.0001 -1 -2 1

A= 9.488 DA= .002
B= 11.645 DB= .001
C= 10.304 DC= .001
GAMMA=120.07 DGAMMA= .01
BETA =102.48 DBETA = .01
ALPHA= 58.481 DALPHA= .009
V=838.5

44-0299
Ca{IO3}2
Triklin

Dexp Dcal d(D) h k l
5.4300 5.4358 -.0058 -1 1 0
4.8700 4.8730 -.0030 0 -1 1
4.8100 4.8117 -.0017 0 2 0
4.4700 4.4720 -.0020 2 0 0
4.4300 4.4273 .0027 2 2 0
4.3700 4.3746 -.0046 -1 1 1
4.0400 4.0429 -.0029 1 -1 1
3.7400 3.7365 .0035 1 3 1
3.6100 3.6089 .0011 -1 2 0
3.4900 3.4945 -.0045 -2 1 0
3.4400 3.4424 -.0024 1 2 2
3.4200 3.4216 -.0016 0 1 2


A= 10.452 DA= .003
B= 11.593 DB= .002
C= 7.148 DC= .002
GAMMA= 59.51 DGAMMA= .03
BETA = 73.81 DBETA = .02
ALPHA= 68.67 DALPHA= .01
V=690.5



44-0747
CaH2P2O7
Triklin

Dexp Dcal d(D) h k l
5.4000 5.3999 .0001 1 0 0
5.0300 5.0369 -.0069 -1 0 1
4.7800 4.7700 .0100 0 0 2
4.4200 4.4214 -.0014 1 0 1
4.0500 4.0507 -.0007 0 -1 1
3.8700 3.8773 -.0073 -1 0 2
3.7300 3.7281 .0019 -1 1 2
3.3300 3.3334 -.0034 1 0 2
3.1800 3.1796 .0004 0 0 3
2.6800 2.6789 .0011 -1 -1 2
2.5000 2.5007 -.0007 2 0 1
2.3200 2.3201 -.0001 2 -1 1


A= 5.5918 DA= .0003
B= 5.361 DB= .005
C= 10.09 DC= .01
GAMMA=102.345 DGAMMA= .005
BETA =101.77 DBETA = .01
ALPHA= 72.96 DALPHA= .09
V= 279.3



44-0751
CaSiF6*2H2O
Triklin

Dexp Dcal d(D) h k l
5.7300 5.7325 -.0025 -1 0 1
3.8300 3.8281 .0019 0 1 2
3.4900 3.4892 .0008 0 2 0
3.3400 3.3406 -.0006 0 -2 1
2.8700 2.8709 -.0009 2 0 0
2.7200 2.7194 .0006 1 1 2
2.5100 2.5093 .0007 -2 -1 1
2.4800 2.4811 -.0011 1 0 3
2.3800 2.3800 .0000 0 0 4
2.2800 2.2813 -.0013 0 2 3
2.2200 2.2189 .0011 1 1 3
2.1800 2.1801 -.0001 -2 0 4



A= 6.2917 DA= .0004
B= 7.3100 DB= .0002
C= 9.9809 DC= .0002
GAMMA=107.006 DGAMMA= .005
BETA =107.1679 DBETA = .0007
ALPHA= 88.1660 DALPHA= .0006
V=418.8


44-0752
Ca-P-O
Triklin

Dexp Dcal d(D) h k l
5.7200 5.7190 .0010 1 1 1
5.4800 5.4790 .0010 -1 1 0
5.1200 5.1205 -.0005 1 -1 1
4.7300 4.7238 .0062 2 0 2
4.1500 4.1498 .0002 3 1 1
3.9800 3.9829 -.0029 3 0 2
3.5800 3.5784 .0016 -2 1 1
3.4800 3.4795 .0005 3 -1 1
3.3800 3.3790 .0010 1 0 3
3.1000 3.1004 -.0004 -2 -1 2
3.0000 2.9963 .0037 1 -2 1
2.8600 2.8595 .0005 2 2 2


A= 14.14 DA= .01
B= 6.6921 DB= .0004
C= 10.219 DC= .008
GAMMA= 79.16 DGAMMA= .05
BETA = 69.15 DBETA = .03
ALPHA= 86.92 DALPHA= .04
V= 887.7


44-0754
N-H-Ca-P-O
Triklin

Dexp Dcal d(D) h k l
7.1900 7.1918 -.0018 0 0 1
5.5000 5.5030 -.0030 0 1 1
4.9000 4.8881 .0119 -2 1 0
4.7900 4.7886 .0014 2 0 1
4.4100 4.4084 .0016 2 1 1
4.2500 4.2548 -.0048 -2 1 1
3.8600 3.8595 .0005 2 -1 1
3.7400 3.7429 -.0029 2 2 0
3.6000 3.5959 .0041 0 0 2
3.5600 3.5513 .0087 1 2 1
3.4100 3.4086 .0014 0 -2 1
3.3400 3.3377 .0023 -2 0 2


A= 14.280 DA= .003
B= 8.101 DB= .004
C= 7.234 DC= .002
GAMMA= 80.861 DGAMMA= .005
BETA = 95.26 DBETA = .04
ALPHA= 87.61 DALPHA= .04
V= 821.4


44-0758
N-H-Ca-P-O
Triklin

Dexp Dcal d(D) h k l
7.2000 7.2231 -.0231 1 0 0
6.2400 6.2391 .0009 0 2 0
5.9600 5.9604 -.0004 0 0 2
5.3900 5.3941 -.0041 -1 -1 1
5.2500 5.2492 .0008 -1 2 1
5.1000 5.1138 -.0138 -1 2 0
4.4100 4.4076 .0024 1 2 0
4.3100 4.3068 .0032 -1 -1 2
4.2500 4.2489 .0011 1 0 2
4.1700 4.1732 -.0032 0 3 1
3.7700 3.7694 .0006 -1 0 3
3.6000 3.5997 .0003 0 -1 3


A= 7.467 DA= .005
B= 12.923 DB= .001
C= 12.396 DC= .003
GAMMA=100.79 DGAMMA= .02
BETA =101.96 DBETA = .03
ALPHA= 77.561 DALPHA= .004
V=1129.2


44-0762
Ca2P2O7*4H2O
Triklin

Dexp Dcal d(D) h k l
11.4000 11.3982 .0018 1 0 0
5.9500 5.9468 .0032 1 1 1
5.3700 5.3749 -.0049 1 -1 1
4.9900 4.9900 -.0000 0 2 1
4.7000 4.7002 -.0002 1 2 1
4.3700 4.3698 .0002 -2 0 1
3.7500 3.7497 .0003 0 3 1
3.5200 3.5225 -.0025 2 -2 1
3.3700 3.3704 -.0004 2 3 0
3.1800 3.1797 .0003 2 0 2
3.0500 3.0500 .0000 0 4 0
2.9400 2.9421 -.0021 0 4 1


A= 11.433 DA= .001
B= 12.30 DB= .01
C= 7.412 DC= .002
GAMMA= 87.41 DGAMMA= .01
BETA = 86.084 DBETA = .008
ALPHA= 83.08 DALPHA= .05
V= 1031.4



44-0806
N-H-Ca-P-O
Triklin

Dexp Dcal d(D) h k l
9.4000 9.4000 .0000 -1 0 1
8.9600 8.9923 -.0323 0 1 1
6.9300 6.9545 -.0245 0 -1 1
6.3400 6.3316 .0084 0 2 0
6.0000 5.9978 .0022 -2 0 1
5.5000 5.4942 .0058 -2 1 1
5.3500 5.3496 .0004 -2 -1 1
5.2600 5.2766 -.0166 -1 2 0
5.1300 5.1238 .0062 1 2 1
4.9800 4.9763 .0037 -2 1 0
4.7000 4.7000 .0000 -2 0 2
4.6100 4.6100 .0000 -1 2 2
4.5000 4.5015 -.0015 2 2 0


A= 12.279 DA= .008
B= 13.12 DB= .01
C= 10.942 DC= .006
GAMMA= 88.753 DGAMMA= .001
BETA =111.09 DBETA = .03
ALPHA= 76.47 DALPHA= .05
V= 1587.5



44-1462
Ca-Si-C-Cl-O-H
Triklin

Dexp Dcal d(D) h k l
11.4300 11.3963 .0337 0 0 1
8.3600 8.3618 -.0018 0 1 1
5.7010 5.6982 .0028 0 0 2
7.8620 7.8408 .0212 0 -1 1
3.8800 3.8780 .0020 1 -2 1
3.7750 3.7767 -.0017 1 2 0
3.6700 3.6777 -.0077 0 1 3
3.5000 3.5033 -.0033 1 1 2
3.0620 3.0597 .0023 1 2 2
2.9090 2.9103 -.0013 -2 1 1
2.7710 2.7698 .0012 -2 1 2
2.6550 2.6551 -.0001 1 -2 3


A= 5.8615 DA= .0006
B= 11.660 DB= .001
C= 11.592 DC= .003
GAMMA= 99.319 DGAMMA= .007
BETA = 99.903 DBETA = .0062
ALPHA= 84.827 DALPHA= .005
V= 768.6


44-1603
C-H-N-Ca-O
Triklin

Dexp Dcal d(D) h k l
10.0200 10.0155 .0045 0 1 0
7.6600 7.6607 -.0007 1 0 0
6.9400 6.9412 -.0012 0 1 1
5.4200 5.4199 .0001 0 -1 1
4.6000 4.6000 .0000 -1 2 0
3.7200 3.7199 .0001 1 1 2
3.4800 3.4801 -.0001 2 1 1
3.2400 3.2400 .0000 -2 1 1
2.8000 2.8000 -.0000 1 -2 2
2.3900 2.3900 .0000 3 0 2
2.3000 2.3000 .0000 -2 4 0
2.2400 2.2400 .0000 0 -3 2


A= 7.94820 DA= .00008
B= 10.4445 DB= .0005
C= 7.9804 DC= .0004
GAMMA= 97.746 DGAMMA= .003
BETA = 78.7595 DBETA = .0006
ALPHA= 77.3764 DALPHA= .0006
V= 623.08


44-1675
C-H-Ca-O-P
Triklin

Dexp Dcal d(D) h k l
9.0800 9.1310 -.0510 0 1 0
6.8900 6.8997 -.0097 1 0 0
6.0400 6.0206 .0194 1 1 0
5.9200 5.9134 .0066 1 1 1
5.5000 5.5080 -.0080 0 -1 3
5.3800 5.3771 .0029 1 1 2
5.1000 5.0990 .0010 1 -1 1
4.4100 4.4097 .0003 0 2 1
4.3100 4.3134 -.0034 0 1 4
4.0100 4.0083 .0017 0 0 5
3.8500 3.8488 .0012 0 -2 3
3.7300 3.7310 -.0010 0 -1 5


A= 7.062 DA= .009
B= 9.269 DB= .002
C= 20.233 DC= .007
GAMMA= 80.44 DGAMMA= .05
BETA = 82.533 DBETA = .008
ALPHA= 91.23 DALPHA= .02
V= 1293.6


44-1676
C3H10CaNO9P3
Triklin

Dexp Dcal d(D) h k l
9.0700 9.0584 .0116 0 1 1
7.9700 7.9743 -.0043 0 -1 1
7.2000 7.2142 -.0142 1 0 1
6.1600 6.1581 .0019 -1 -1 1
5.6400 5.6424 -.0024 -1 3 0
5.0700 5.0756 -.0056 -2 2 0
4.7200 4.7261 -.0061 2 0 1
4.4100 4.4130 -.0030 1 0 2
4.2100 4.2123 -.0023 -2 3 1
4.0900 4.0876 .0024 -1 -3 1
4.0400 4.0389 .0011 1 2 2
3.9600 3.9588 .0012 -1 3 2


A= 11.043 DA= .009
B= 18.163 DB= .001
C= 9.769 DC= .002
GAMMA=101.43 DGAMMA= .02
BETA = 91.60 DBETA = .04
ALPHA= 81.217 DALPHA= .005
V= 1898.0



44-1790
C-H-Ca-O
Triklin

Dexp Dcal d(D) h k l
13.6240 13.6566 -.0326 -1 0 1
9.7059 9.6910 .0149 0 1 1
9.4664 9.4608 .0056 0 -1 1
7.1517 7.1518 -.0001 -2 1 2
6.8740 6.8573 .0167 0 1 2
6.6894 6.6942 -.0048 0 -1 2
6.1758 6.1718 .0040 2 -1 1
6.0360 6.0342 .0018 -2 2 1
5.9637 5.9633 .0004 1 -1 2
5.7736 5.7774 -.0038 -2 2 0
5.1365 5.1360 .0005 -2 -1 2
5.0512 5.0547 -.0035 0 1 3


A= 17.354 DA= .006
B= 12.8556 DB= .0007
C= 17.981 DC= .001
GAMMA=114.257 DGAMMA= .005
BETA =112.531 DBETA = .005
ALPHA= 79.706 DALPHA= .003
V=3378.0

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