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demon507

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1楼 2010-09-02 17:53:44

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PDF#11-0648: QM=Star/Calculated; d=Other/Unknown; I=(Unknown)
Sodium Phosphate
NaPO3
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=
Ref= Level-1 PDF

Orthorhombic,  P**n(59) Z=12 mp=
Cell=7.928x13.22x7.703<90x90x90> Pearson=
Density(c)=2.476 Density(m)= Mwt= Vol=
Ref= Ibid.

Strong Line: 3.40/X  3.04/7  3.86/7  6.66/6  5.02/5  2.76/4  3.33/4  2.54/4
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
6.8000 30.0 15.0 1 1 0      13.008 6.504 0.0735 0.9240
6.6600 55.0 28.0 0 1 1      13.283 6.642 0.0751 0.9434
5.1000 30.0 20.0 1 1 1      17.374 8.687 0.0980 1.2320
5.0200 50.0 34.0 0 2 1      17.653 8.826 0.0996 1.2516
4.2400 5.0 4.0 1 2 1      20.934 10.467 0.1179 1.4819
3.9600 15.0 13.0 2 0 0      22.433 11.216 0.1263 1.5867
3.8600 65.0 57.0 1 3 0      23.022 11.511 0.1295 1.6278
3.8200 3.0 3.0 0 3 1      23.266 11.633 0.1309 1.6448
3.4600 3.0 3.0 1 0 2      25.726 12.863 0.1445 1.8159
3.4500 30.0 30.0 1 3 1      25.802 12.901 0.1449 1.8212
3.4000 100.0 100.0 2 2 0      26.188 13.094 0.1471 1.8480
3.3500 13.0 13.0 1 1 2      26.586 13.293 0.1493 1.8756
3.3300 35.0 36.0 0 2 2      26.749 13.375 0.1502 1.8868
3.1100 11.0 12.0 2 2 1      28.680 14.340 0.1608 2.0203
3.0400 65.0 73.0 0 4 1      29.355 14.678 0.1645 2.0668
2.9010 1.0 1.0 0 3 2      30.796 15.398 0.1724 2.1659
2.8380 13.0 16.0 1 4 1      31.497 15.749 0.1762 2.2139
2.7630 40.0 49.0 2 0 2      32.375 16.188 0.1810 2.2740
2.7520 7.0 9.0 2 3 1      32.508 16.254 0.1817 2.2831
2.7230 25.0 31.0 1 3 2      32.864 16.432 0.1836 2.3074
2.7030 7.0 9.0 2 1 2      33.114 16.557 0.1850 2.3245
2.5910 11.0 14.0 3 1 0      34.590 17.295 0.1930 2.4250
2.5480 3.0 4.0 2 2 2      35.193 17.596 0.1962 2.4659
2.5380 35.0 47.0 2 4 0      35.336 17.668 0.1970 2.4756
2.5200 11.0 15.0 0 1 3      35.597 17.798 0.1984 2.4933
2.5090 1.0 1.0 1 5 0      35.758 17.879 0.1993 2.5043
2.5010 5.0 7.0 0 5 1      35.876 17.938 0.1999 2.5123
2.4560 9.0 12.0 3 1 1      36.556 18.278 0.2036 2.5583
2.4110 9.0 13.0 2 4 1      37.264 18.632 0.2074 2.6060
2.4020 3.0 4.0 1 1 3      37.408 18.704 0.2082 2.6158
2.3860 1.0 1.0 1 5 1      37.669 18.834 0.2096 2.6334
2.3380 1.0 1.0 3 2 1      38.472 19.236 0.2139 2.6874
2.2910 3.0 4.0 1 2 3      39.293 19.647 0.2182 2.7426
2.2660 9.0 14.0 3 3 0      39.745 19.873 0.2207 2.7728
2.2190 1.0 2.0 0 3 3      40.624 20.312 0.2253 2.8315
2.2040 7.0 11.0 0 6 0      40.912 20.456 0.2269 2.8508
2.1740 11.0 17.0 3 3 1      41.503 20.751 0.2300 2.8901
2.1510 1.0 2.0 3 1 2      41.968 20.984 0.2325 2.9211
2.1360 3.0 5.0 1 3 3      42.276 21.138 0.2341 2.9416
2.1280 9.0 14.0 2 1 3      42.443 21.221 0.2350 2.9526
2.1190 5.0 8.0 2 4 2      42.632 21.316 0.2360 2.9652
2.1020 3.0 5.0 1 5 2      42.994 21.497 0.2379 2.9891
2.0700 1.0 2.0 3 2 2      43.692 21.846 0.2415 3.0354
2.0480 3.0 5.0 2 2 3      44.186 22.093 0.2441 3.0680
2.0280 20.0 34.0 0 4 3      44.645 22.323 0.2465 3.0982
1.9940 5.0 9.0 3 4 1      45.449 22.724 0.2508 3.1510
1.9820 11.0 19.0 4 0 0      45.740 22.870 0.2523 3.1701
1.9650 3.0 5.0 1 4 3      46.158 23.079 0.2545 3.1976
1.9530 5.0 9.0 3 3 2      46.458 23.229 0.2560 3.2172
1.9260 5.0 9.0 2 6 0      47.149 23.574 0.2596 3.2623
1.9100 9.0 16.0 2 5 2      47.568 23.784 0.2618 3.2896
1.8980 1.0 2.0 4 2 0      47.887 23.944 0.2634 3.3104
1.8700 13.0 24.0 3 5 0      48.650 24.325 0.2674 3.3600
1.8490 7.0 13.0 0 2 4      49.239 24.620 0.2704 3.3982
1.8430 3.0 6.0 4 2 1      49.410 24.705 0.2713 3.4092
1.8370 3.0 6.0 1 7 0      49.583 24.791 0.2722 3.4204
1.8190 1.0 2.0 3 4 2      50.107 25.053 0.2749 3.4542
1.8050 3.0 6.0 2 4 3      50.523 25.261 0.2770 3.4810
1.7940 3.0 6.0 1 5 3      50.854 25.427 0.2787 3.5023
1.7870 1.0 2.0 1 7 1      51.068 25.534 0.2798 3.5161
1.7600 3.0 6.0 4 3 1      51.909 25.955 0.2841 3.5700

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5楼2010-09-02 23:23:00

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zbdfwq5777

木虫之王 (文学泰斗)

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★
nash603(金币+1):谢谢回贴交流！ 2010-09-02 19:39:23
demon507(金币+10):非常感谢！ 2010-09-03 08:45:04

Card Information
Names: Sodium Hydrogen Phosphate Hydrate
Formula: Na H2 P O2 ! H2 O
PDF Number: 25-832
Quality: star
Subfiles: inorganic CP

Cell and Symmetry Information
System: monoclinic Space Group: P21/n (no.  14)
a: 12.909 b: 13.541 c: 11.108
b: 103.04
Density (Dm): 1.790 Density (Dx): 1.860 Z: 20

Instrument Information
Radiation: Cu    Wavelength: 1.54056
Instrument(d): Guinier
Instrument(I): densitometer I type: unknown
I/Icor: 0.37

Comments and Additional Information
General: P.a.-chemical. Impurities less than 0.04%.
Unit Cell: Space-group was determined by single crystal work.
General: Very weak lines (I/I1 <1) were not reported from d=2.25 downward.
Pattern: To replace 11-411.

Literature References
General: Technisch Physische Dienst, Delft,Netherlands. ICDD Grant-in-Aid          ( )

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2楼2010-09-02 19:38:59

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zbdfwq5777

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PeakList
   h    k    l    d    I
   0    1    1 8.4500    75
-1    1    1 7.6700    65
   0    2    0 6.7700    4
   2    0    0 6.2900    35
   1    2    0 5.9600    40
   0    0    2 5.4100    8
-2    0    2 4.6500    18
-2    2    0 4.6100    2
-2    2    1 4.5200    2
-1    2    2 4.2400    12
   0    3    1 4.1700    40
-3    1    1 4.0500    40
   3    1    0 4.0000    2
   1    3    1 3.8560    60
-2    2    2 3.8350    18
   1    2    2 3.8090    2
   2    0    2 3.7090    16
   2    3    0 3.6670    1
-3    1    2 3.6130    4
   3    2    0 3.5640    65
   3    1    1 3.5170    18
   0    1    3 3.4860    100
   0    4    0 3.3850    6
   2    3    1 3.3420    25
   1    0    3 3.2770    30
   2    2    2 3.2530    6
   0    2    3 3.1840    16
   4    0    0 3.1440    25
-4    1    1 3.1330    8
-3    3    1 3.0920    80
-3    1    3 3.0240    35
   2    4    0 2.9810    25
-2    4    1 2.9560    1
-4    2    1 2.9110    1
-1    4    2 2.8750    45
-1    3    3 2.8590    4
   4    2    0 2.8510    20
   3    3    1 2.8350    2
   0    3    3 2.8180    2
-4    2    2 2.7690    8
   3    2    2 2.7440    45
-2    4    2 2.7380    6
   0    0    4 2.7060    1
   0    1    4 2.6530    25
   2    2    3 2.6360    30
-4    3    1 2.6230    12
-1    5    1 2.6000    18
-1    2    4 2.5700    4
-3    3    3 2.5570    25
-2    2    4 2.5220    8
   0    2    4 2.5120    35
   5    1    0 2.4740    16
   3    1    3 2.4330    25
-5    2    1 2.4130    1
-3    2    4 2.3870    1
   2    5    1 2.3780    1
   5    2    0 2.3580    2
-5    2    2 2.3500    10
-4    0    4 2.3260    16
   0    6    0 2.2570    4
-5    3    1 2.2410    4
-1    1    5 2.1890    12
   0    5    3 2.1660    6
-2    5    3 2.1390    12
   2    6    0 2.1240    16
   0    4    4 2.1140    2
-1    6    2 2.0840    2
-2    6    2 2.0290    8
-1    3    5 1.9910    8
   6    1    1 1.9550    4
-6    3    1 1.9420    2
   4    3    3 1.9360    20
   1    7    1 1.8720    2
-5    1    5 1.8440    12
-7    1    1 1.8240    6
   6    1    2 1.8050    8
-5    4    4 1.7800    20
   3    0    5 1.7680    6
   6    2    2 1.7590    4

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3楼2010-09-02 19:39:29

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csxray

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demon507(金币+10):非常感谢！ 2010-09-03 08:45:19

PDF#11-0650: QM=Star/Calculated; d=Other/Unknown; I=(Unknown)
Sodium Phosphate
NaPO3
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=
Ref= Level-1 PDF

Monoclinic,  C*/*(12) Z=6 mp=
Cell=15.38x3.504x7.078<90x93.87x90> Pearson=
Density(c)=2.67 Density(m)= Mwt= Vol=
Ref= Ibid.

Strong Line: 2.89/X  3.13/5  5.03/4  3.09/4  3.53/3  3.84/3  3.29/3  5.38/3
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
7.6700 5.0 2.0 2 0 0      11.528 5.764 0.0652 0.8192
7.0600 7.0 3.0 0 0 1      12.527 6.264 0.0708 0.8900
5.3800 25.0 13.0 -2 0 1      16.463 8.232 0.0929 1.1679
5.0300 40.0 23.0 2 0 1      17.618 8.809 0.0994 1.2491
3.8400 30.0 23.0 4 0 0      23.143 11.572 0.1302 1.6362
3.5300 30.0 25.0 0 0 2      25.208 12.604 0.1416 1.7799
3.4700 1.0 1.0 -4 0 1      25.651 12.826 0.1441 1.8107
3.2900 30.0 26.0 -2 0 2      27.080 13.540 0.1520 1.9098
3.2800 9.0 8.0 4 0 1      27.165 13.582 0.1524 1.9156
3.1300 45.0 42.0 2 0 2      28.493 14.247 0.1597 2.0074
3.0900 40.0 37.0 -1 1 1      28.870 14.435 0.1618 2.0334
3.0600 1.0 1.0 1 1 1      29.159 14.580 0.1634 2.0533
2.8900 100.0 100.0 3 1 0      30.916 15.458 0.1730 2.1741
2.7130 5.0 5.0 -3 1 1      32.989 16.494 0.1843 2.3160
2.6900 3.0 3.0 -4 0 2      33.279 16.640 0.1859 2.3358
2.6400 1.0 1.0 3 1 1      33.928 16.964 0.1894 2.3800
2.5570 5.0 6.0 6 0 0      35.065 17.532 0.1955 2.4572
2.5140 1.0 1.0 4 0 2      35.684 17.842 0.1989 2.4993
2.4730 3.0 4.0 -1 1 2      36.296 18.148 0.2022 2.5407
2.4580 1.0 1.0 -6 0 1      36.526 18.263 0.2034 2.5562
2.4360 13.0 15.0 1 1 2      36.867 18.434 0.2053 2.5793
2.3540 5.0 6.0 0 0 3      38.200 19.100 0.2124 2.6692
2.3090 7.0 9.0 5 1 0      38.975 19.487 0.2165 2.7212
2.2940 13.0 16.0 -2 0 3      39.240 19.620 0.2180 2.7390
2.2790 5.0 6.0 -3 1 2      39.509 19.754 0.2194 2.7570
2.1950 3.0 4.0 3 1 2      41.088 20.544 0.2278 2.8625
2.1620 11.0 15.0 5 1 1      41.744 20.872 0.2313 2.9062
2.1410 3.0 4.0 -6 0 2      42.173 21.086 0.2335 2.9347
2.0700 5.0 7.0 -4 0 3      43.692 21.846 0.2415 3.0354
2.0080 7.0 10.0 6 0 2      45.114 22.557 0.2490 3.1291
1.9790 3.0 4.0 -5 1 2      45.813 22.906 0.2527 3.1749
1.9510 5.0 7.0 -1 1 3      46.509 23.254 0.2563 3.2205
1.9240 1.0 2.0 1 1 3      47.201 23.600 0.2599 3.2657
1.9170 5.0 8.0 8 0 0      47.383 23.692 0.2608 3.2776
1.8860 3.0 5.0 -8 0 1      48.211 24.106 0.2651 3.3315
1.8590 7.0 11.0 7 1 0      48.957 24.479 0.2690 3.3799
1.8220 5.0 8.0 -7 1 1      50.019 25.009 0.2744 3.4485
1.7920 3.0 5.0 3 1 3      50.915 25.458 0.2790 3.5062
1.7720 1.0 2.0 7 1 1      51.532 25.766 0.2822 3.5458

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4楼2010-09-02 23:22:13

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