夜雨聆风
科研小记 | XRD标准卡片 PDF#01-087-1526和PDF# 01-089-2003
PDF#01-087-1526(RDB):质标=(未知);d=计算值;I=计算值
Carbon Nitride
C3 N4
射线=CuKa1 波长=1.5406 滤波法=
校准= 2θ=13.163-149.796 I/Ic(K值)=2.62
文献: Teter, D.M., Hemley, R.J.
Science, v271 p53(1996)
六方晶系-单晶衍射,P-6m2(187) Z=2
晶胞: 4.742×4.742×6.7205 <90.0×90.0x120.0> P.S=hP14.00
密度(计算)=2.336 密度(测量)= 分子量=92.06 体积=130.87 F(30)=120.9(0.0064,39/0)
文献: 出处同上
强峰线: 3.36/X 1.96/2 1.96/2 3.50/1 1.68/1
ANX: A3X4.
Analysis: C3 N4.
Formula from original source: C3 N4.
ICSD Collection Code: 83265.
Hypothetical Structure: Structure calculated theoretically.
Minor Warning: No e.s.d reported/abstracted on the cell dimension.
Significant Warning: ICSD Warning on inter-atomic distances exist.
Wyckoff Sequence: k2 j2 f a(P6-M2).
Unit Cell Data Source: Single Crystal.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
13.163 6.7205 0.1 ( 0 0 1) 6.582 0.0744 0.9349
21.622 4.1067 2.8 ( 1 0 0) 10.811 0.1218 1.5300
25.397 3.5042 10.3 ( 1 0 1) 12.698 0.1427 1.7930
26.504 3.3603 100.0 ( 0 0 2) 13.252 0.1488 1.8699
34.459 2.6006 1.1 ( 1 0 2) 17.229 0.1923 2.4160
37.917 2.3710 1.1 ( 1 1 0) 18.958 0.2109 2.6500
40.303 2.2359 0.1 ( 0 0 3) 20.152 0.2236 2.8101
40.303 2.2359 0.1 ( 1 1 1) 20.152 0.2236 2.8101
44.066 2.0534 3.2 ( 2 0 0) 22.033 0.2435 3.0600
46.191 1.9637 15.9 ( 1 0 3) 23.095 0.2546 3.1996
46.191 1.9637 15.9 ( 2 0 1) 23.095 0.2546 3.1996
46.858 1.9373 1.0 ( 1 1 2) 23.429 0.2581 3.2433
52.161 1.7521 3.0 ( 2 0 2) 26.081 0.2854 3.5860
54.578 1.6801 5.3 ( 0 0 4) 27.289 0.2976 3.7397
59.387 1.5550 0.1 ( 1 0 4) 29.694 0.3215 4.0406
59.507 1.5522 0.1 ( 2 1 0) 29.753 0.3221 4.0480
61.180 1.5137 4.3 ( 2 0 3) 30.590 0.3303 4.1509
61.180 1.5137 4.3 ( 2 1 1) 30.590 0.3303 4.1509
66.275 1.4091 0.1 ( 2 1 2) 33.138 0.3548 4.4590
68.377 1.3708 0.2 ( 1 1 4) 34.188 0.3647 4.5835
68.487 1.3689 0.1 ( 3 0 0) 34.243 0.3653 4.5900
70.097 1.3414 0.1 ( 3 0 1) 35.048 0.3728 4.6842
72.654 1.3003 0.6 ( 2 0 4) 36.327 0.3845 4.8321
74.171 1.2774 0.1 ( 1 0 5) 37.086 0.3914 4.9187
74.278 1.2759 0.2 ( 2 1 3) 37.139 0.3919 4.9247
74.834 1.2677 0.1 ( 3 0 2) 37.417 0.3944 4.9562
81.048 1.1855 2.6 ( 2 2 0) 40.524 0.4218 5.3000
85.007 1.1401 0.1 ( 2 1 4) 42.503 0.4386 5.5110
85.110 1.1390 0.1 ( 3 1 0) 42.555 0.4390 5.5165
86.464 1.1246 0.9 ( 2 0 5) 43.232 0.4446 5.5871
86.899 1.1201 0.9 ( 0 0 6) 43.449 0.4464 5.6096
87.105 1.1180 4.0 ( 2 2 2) 43.552 0.4472 5.6202
90.932 1.0806 0.1 ( 1 0 6) 45.466 0.4627 5.8145
91.137 1.0787 0.1 ( 3 1 2) 45.569 0.4635 5.8247
93.077 1.0613 0.1 ( 3 0 4) 46.539 0.4711 5.9206
97.230 1.0267 0.1 ( 4 0 0) 48.615 0.4870 6.1200
98.750 1.0149 0.6 ( 3 1 3) 49.375 0.4927 6.1909
98.750 1.0149 0.6 ( 4 0 1) 49.375 0.4927 6.1909
99.032 1.0128 0.3 ( 1 1 6) 49.516 0.4937 6.2040
103.142 0.9833 0.2 ( 2 0 6) 51.571 0.5085 6.3899
103.353 0.9819 0.2 ( 4 0 2) 51.676 0.5092 6.3992
105.354 0.9686 2.1 ( 2 2 4) 52.677 0.5162 6.4866
109.691 0.9421 0.1 ( 3 2 0) 54.845 0.5307 6.6691
109.691 0.9421 0.1 ( 3 1 4) 54.845 0.5307 6.6691
110.967 0.9349 0.1 ( 1 0 7) 55.484 0.5348 6.7210
111.243 0.9333 0.5 ( 4 0 3) 55.621 0.5357 6.7321
111.243 0.9333 0.5 ( 3 2 1) 55.621 0.5357 6.7321
116.005 0.9083 0.1 ( 2 1 6) 58.003 0.5505 6.9176
116.234 0.9072 0.1 ( 3 2 2) 58.117 0.5512 6.9262
118.534 0.8962 0.1 ( 4 1 0) 59.267 0.5579 7.0113
119.905 0.8899 0.1 ( 1 1 7) 59.953 0.5619 7.0607
120.262 0.8883 0.1 ( 4 1 1) 60.131 0.5629 7.0733
123.110 0.8761 0.1 ( 4 0 4) 61.555 0.5707 7.1721
124.676 0.8697 0.4 ( 2 0 7) 62.338 0.5749 7.2245
124.989 0.8685 0.2 ( 3 2 3) 62.495 0.5757 7.2349
124.989 0.8685 0.2 ( 3 1 5) 62.495 0.5757 7.2349
125.393 0.8669 0.1 ( 3 0 6) 62.697 0.5768 7.2481
125.646 0.8659 0.1 ( 4 1 2) 62.823 0.5774 7.2563
132.968 0.8401 0.3 ( 0 0 8) 66.484 0.5952 7.4794
138.760 0.8230 0.1 ( 1 0 8) 69.380 0.6075 7.6343
139.230 0.8218 0.1 ( 3 2 4) 69.615 0.6085 7.6460
139.230 0.8218 0.1 ( 5 0 0) 69.615 0.6085 7.6460
141.510 0.8159 0.4 ( 4 0 5) 70.755 0.6128 7.7010
141.759 0.8153 0.2 ( 5 0 1) 70.879 0.6133 7.7068
142.212 0.8142 1.6 ( 2 2 6) 71.106 0.6141 7.7174
149.389 0.7986 0.1 ( 3 1 6) 74.695 0.6261 7.8676
149.796 0.7979 0.1 ( 5 0 2) 74.898 0.6267 7.8751
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PDF#01-089-2003(RDB):质标=空白(B);d=计算值;I=计算值
Hastite(Cobalt Selenide)
Co Se2
射线=CuKa1 波长=1.5406 滤波法=
校准= 2θ=24.067-149.357 I/Ic(K值)=3.42
文献: Ramdohr, P., Schmitt, M.
Neues Jahrb. Mineral., Monatsh., v1955 p133(1955)
正交晶系-粉末衍射,Pnnm(58) Z=2
晶胞: 4.84×5.72×3.6 <90.0×90.0x90.0> P.S=oP6.00
密度(计算)=7.226 密度(测量)= 分子量=216.85 体积=99.67 F(30)=999.9(0.0000,30/0)
文献: 出处同上
强峰线: 2.58/X 2.46/8 1.89/6 2.89/6 1.68/3 1.80/3 1.45/2 3.05/2
ANX: AX2.
Analysis: Co1 Se2.
Formula from original source: Co Se2.
ICSD Collection Code: 42540.
Calculated Pattern Original Remarks: Coordinates as for ferroselite, cf.
25680.
Minor Warning: No e.s.d reported/abstracted on the cell dimension.
No R factors reported/abstracted.
Significant Warning: ICSD Warning on inter-atomic distances exist.
Wyckoff Sequence: g a(PNNM).
Unit Cell Data Source: Powder Diffraction.
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
24.067 3.6948 12.9 ( 1 1 0) 12.033 0.1353 1.7006
29.289 3.0468 17.7 ( 0 1 1) 14.645 0.1641 2.0622
30.932 2.8886 55.6 ( 1 0 1) 15.466 0.1731 2.1752
31.249 2.8600 7.8 ( 0 2 0) 15.625 0.1748 2.1969
34.764 2.5784 100.0 ( 1 1 1) 17.382 0.1939 2.4368
36.461 2.4623 81.1 ( 1 2 0) 18.231 0.2031 2.5518
37.121 2.4200 11.0 ( 2 0 0) 18.560 0.2066 2.5964
40.439 2.2287 7.6 ( 2 1 0) 20.220 0.2243 2.8192
44.546 2.0324 11.0 ( 1 2 1) 22.273 0.2460 3.0916
47.969 1.8950 63.2 ( 2 1 1) 23.985 0.2639 3.3157
49.286 1.8474 5.5 ( 2 2 0) 24.643 0.2707 3.4011
50.674 1.8000 25.5 ( 0 0 2) 25.337 0.2778 3.4907
51.471 1.7740 8.1 ( 1 3 0) 25.736 0.2819 3.5419
54.409 1.6849 27.2 ( 0 3 1) 27.204 0.2967 3.7290
55.895 1.6436 8.8 ( 2 2 1) 27.947 0.3042 3.8228
56.852 1.6182 1.4 ( 1 1 2) 28.426 0.3090 3.8828
57.904 1.5913 12.7 ( 1 3 1) 28.952 0.3142 3.9485
59.483 1.5528 10.3 ( 3 1 0) 29.741 0.3220 4.0465
60.748 1.5234 1.3 ( 0 2 2) 30.374 0.3282 4.1244
61.905 1.4977 1.2 ( 2 3 0) 30.953 0.3339 4.1953
63.096 1.4723 1.4 ( 3 0 1) 31.548 0.3396 4.2677
64.024 1.4531 21.0 ( 1 2 2) 32.012 0.3441 4.3239
64.463 1.4443 3.5 ( 2 0 2) 32.231 0.3462 4.3504
65.186 1.4300 2.5 ( 0 4 0) 32.593 0.3497 4.3938
65.403 1.4258 6.7 ( 3 1 1) 32.701 0.3507 4.4068
66.485 1.4052 5.2 ( 3 2 0) 33.242 0.3558 4.4714
66.745 1.4003 3.2 ( 2 1 2) 33.372 0.3571 4.4869
67.706 1.3828 2.1 ( 2 3 1) 33.853 0.3616 4.5439
68.345 1.3714 0.1 ( 1 4 0) 34.172 0.3646 4.5816
72.096 1.3090 2.2 ( 3 2 1) 36.048 0.3820 4.8000
73.381 1.2892 2.1 ( 2 2 2) 36.690 0.3878 4.8736
73.892 1.2816 0.2 ( 1 4 1) 36.946 0.3901 4.9028
75.129 1.2635 3.5 ( 1 3 2) 37.565 0.3957 4.9729
77.465 1.2311 7.9 ( 3 3 0) 38.733 0.4061 5.1036
77.465 1.2311 7.9 ( 2 4 0) 38.733 0.4061 5.1036
79.079 1.2100 1.9 ( 4 0 0) 39.539 0.4132 5.1927
81.188 1.1838 1.8 ( 4 1 0) 40.594 0.4224 5.3076
81.863 1.1757 5.8 ( 3 1 2) 40.932 0.4253 5.3440
82.757 1.1653 2.7 ( 1 0 3) 41.379 0.4291 5.3920
82.757 1.1653 2.7 ( 3 3 1) 41.379 0.4291 5.3920
83.993 1.1513 0.8 ( 2 3 2) 41.996 0.4343 5.4576
84.896 1.1413 3.8 ( 1 1 3) 42.448 0.4381 5.5052
86.467 1.1246 0.1 ( 4 1 1) 43.234 0.4446 5.5872
86.939 1.1197 1.6 ( 0 4 2) 43.469 0.4466 5.6116
87.560 1.1133 0.9 ( 1 5 0) 43.780 0.4491 5.6436
87.560 1.1133 0.9 ( 4 2 0) 43.780 0.4491 5.6436
88.125 1.1076 3.6 ( 3 2 2) 44.063 0.4514 5.6726
89.905 1.0903 2.7 ( 1 4 2) 44.952 0.4586 5.7630
89.905 1.0903 2.7 ( 0 5 1) 44.952 0.4586 5.7630
91.137 1.0787 0.6 ( 1 2 3) 45.569 0.4635 5.8247
92.077 1.0701 0.1 ( 3 4 0) 46.039 0.4672 5.8714
92.704 1.0645 4.7 ( 4 2 1) 46.352 0.4697 5.9023
92.808 1.0636 4.3 ( 1 5 1) 46.404 0.4701 5.9074
93.613 1.0566 4.8 ( 2 1 3) 46.806 0.4732 5.9467
96.280 1.0343 0.4 ( 2 5 0) 48.140 0.4834 6.0751
97.344 1.0258 5.0 ( 3 4 1) 48.672 0.4874 6.1253
97.872 1.0216 0.9 ( 4 3 0) 48.936 0.4894 6.1501
98.582 1.0162 8.0 ( 0 3 3) 49.291 0.4920 6.1831
98.582 1.0162 8.0 ( 2 4 2) 49.291 0.4920 6.1831
99.894 1.0063 1.2 ( 2 2 3) 49.947 0.4969 6.2437
100.184 1.0042 2.0 ( 4 0 2) 50.092 0.4979 6.2569
101.607 0.9940 1.9 ( 2 5 1) 50.803 0.5030 6.3214
101.607 0.9940 1.9 ( 1 3 3) 50.803 0.5030 6.3214
102.303 0.9891 1.7 ( 4 1 2) 51.151 0.5055 6.3526
103.211 0.9828 2.3 ( 4 3 1) 51.606 0.5087 6.3930
106.262 0.9629 0.3 ( 3 0 3) 53.131 0.5193 6.5256
107.622 0.9544 0.3 ( 5 1 0) 53.811 0.5239 6.5832
107.802 0.9533 0.3 ( 0 6 0) 53.901 0.5245 6.5908
108.439 0.9495 1.1 ( 3 1 3) 54.220 0.5266 6.6174
108.886 0.9468 1.3 ( 4 2 2) 54.443 0.5281 6.6359
108.886 0.9468 1.3 ( 1 5 2) 54.443 0.5281 6.6359
110.681 0.9365 0.8 ( 2 3 3) 55.341 0.5339 6.7094
110.980 0.9348 3.4 ( 5 0 1) 55.490 0.5349 6.7215
110.980 0.9348 3.4 ( 1 6 0) 55.490 0.5349 6.7215
111.265 0.9332 1.7 ( 3 5 0) 55.633 0.5358 6.7330
113.008 0.9237 0.1 ( 4 4 0) 56.504 0.5413 6.8022
113.222 0.9226 0.2 ( 5 1 1) 56.611 0.5420 6.8106
113.736 0.9199 0.1 ( 3 4 2) 56.868 0.5436 6.8307
114.302 0.9169 0.2 ( 5 2 0) 57.151 0.5453 6.8526
115.158 0.9125 0.4 ( 3 2 3) 57.579 0.5479 6.8854
116.613 0.9053 0.5 ( 1 6 1) 58.306 0.5523 6.9404
117.017 0.9033 1.3 ( 1 4 3) 58.509 0.5535 6.9555
117.017 0.9033 1.3 ( 3 5 1) 58.509 0.5535 6.9555
117.715 0.9000 1.5 ( 0 0 4) 58.857 0.5556 6.9813
118.402 0.8968 0.6 ( 2 5 2) 59.201 0.5576 7.0065
118.844 0.8947 0.3 ( 4 4 1) 59.422 0.5588 7.0226
120.215 0.8885 1.2 ( 5 2 1) 60.107 0.5627 7.0717
120.215 0.8885 1.2 ( 4 3 2) 60.107 0.5627 7.0717
123.504 0.8744 0.1 ( 1 1 4) 61.752 0.5718 7.1854
126.363 0.8631 1.6 ( 5 3 0) 63.182 0.5793 7.2795
126.865 0.8612 1.3 ( 2 6 1) 63.433 0.5806 7.2956
127.334 0.8595 0.8 ( 2 4 3) 63.667 0.5817 7.3104
127.334 0.8595 0.8 ( 3 3 3) 63.667 0.5817 7.3104
131.362 0.8453 2.8 ( 1 2 4) 65.681 0.5915 7.4331
131.890 0.8436 2.0 ( 4 1 3) 65.945 0.5927 7.4485
131.890 0.8436 2.0 ( 2 0 4) 65.945 0.5927 7.4485
133.194 0.8393 0.1 ( 5 3 1) 66.597 0.5957 7.4858
134.747 0.8345 0.4 ( 2 1 4) 67.373 0.5991 7.5290
135.832 0.8313 0.8 ( 4 5 0) 67.916 0.6015 7.5584
136.275 0.8300 2.6 ( 1 6 2) 68.137 0.6024 7.5702
136.959 0.8280 2.4 ( 3 5 2) 68.479 0.6039 7.5882
136.959 0.8280 2.4 ( 0 5 3) 68.479 0.6039 7.5882
139.212 0.8218 0.2 ( 4 4 2) 69.606 0.6084 7.6456
139.611 0.8208 0.8 ( 3 6 0) 69.805 0.6092 7.6554
141.235 0.8166 2.5 ( 5 2 2) 70.618 0.6123 7.6946
141.235 0.8166 2.5 ( 4 2 3) 70.618 0.6123 7.6946
141.400 0.8162 2.3 ( 1 5 3) 70.700 0.6126 7.6985
143.985 0.8100 1.1 ( 4 5 1) 71.993 0.6173 7.7573
144.369 0.8091 0.4 ( 2 2 4) 72.185 0.6180 7.7657
145.458 0.8067 0.2 ( 6 0 0) 72.729 0.6198 7.7891
145.884 0.8057 0.1 ( 1 7 0) 72.942 0.6205 7.7980
147.369 0.8026 0.7 ( 1 3 4) 73.685 0.6230 7.8284
148.564 0.8002 0.4 ( 3 6 1) 74.282 0.6248 7.8519
149.357 0.7987 3.2 ( 6 1 0) 74.678 0.6260 7.8669
149.357 0.7987 3.2 ( 3 4 3) 74.678 0.6260 7.8669
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