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1楼2013-02-22 09:09:08

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XRD&SEM qq2978260443

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【答案】应助回帖

Name and formula

Reference code: 01-084-1054

Compound name: Calcium Magnesium Yttrium Oxide

Empirical formula: CaMg3O16Y8
Chemical formula: CaMg3Y8O16

Crystallographic parameters

Crystal system: Monoclinic
Space group: Pm
Space group number: 6

a (?):    6.5160
b (?):    10.6200
c (?):    5.8660
Alpha (°):    90.0000
Beta (°):    92.4000
Gamma (°):    90.0000

Calculated density (g/cm^3):    4.42
Volume of cell (10^6 pm^3): 405.57
Z:    1.00

RIR:    1.89

Subfiles and quality

Subfiles: Corrosion
ICSD Pattern
Inorganic
Quality: Calculated (C)

Comments

Creation Date: 1970-1-1
Modification Date: 1970-1-1
ICSD Collection Code: 201999
Test from ICSD: At least one TF implausible
Temperature Factor: ITF
Neue metastabile Oxolanthanoide: Ba Ca2 Y6 O12 und Ca.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16). c10 b5 a5 (P1M1). A3X4.

References

Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Schroeder, F., Mueller-Buschbaum, Hk., J. Less-Common Met., 116, 211, (1986)

Peak list

No. h k l    d [A]    2Theta[deg] I [%]
  1 0 1 0    10.62000    8.319    0.1
  2 1 0 0    6.51028 13.590    11.8
  3 0 0 1    5.86086 15.105    3.4
  4 1 1 0    5.55039 15.955    8.5
  5 0 2 0    5.31000 16.682    0.1
  6 0 1 1    5.13132 17.267    5.6
  7 -1 0 1    4.44944 19.939    1.8
  8 1 0 1    4.26785 20.796    13.7
  9 1 2 0    4.10382 21.638    8.5
10 1 1 1    3.96004 22.433    9.3
11 0 2 1    3.93511 22.577    4.9
12 0 3 0    3.54000 25.136    0.1
13 -1 2 1    3.41042 26.108    0.4
14 1 2 1    3.32655 26.778    1.4
15 2 0 0    3.25514 27.377    18.4
16 2 1 0    3.10997 28.681    79.3
17 0 3 1    3.03015 29.454    2.0
18 0 0 2    2.93043 30.480    76.5
19 -2 0 1    2.89766 30.833    70.3
20 0 1 2    2.82486 31.648    2.2
21 2 0 1    2.79642 31.979    30.1
22 2 2 0    2.77020 32.290    61.6
23 1 3 1    2.72469 32.844    100.0
24 -1 0 2    2.71509 32.964    61.2
25 0 4 0    2.65500 33.732    0.4
26 1 0 2    2.63049 34.056    3.9
27 1 1 2    2.55405 35.107    8.8
28 -2 2 1    2.54358 35.257    5.7
29 2 2 1    2.47428 36.278    1.6
30 1 4 0    2.45842 36.520    0.2
31 0 4 1    2.41842 37.146    1.3
32 2 3 0    2.39612 37.505    4.6
33 1 2 2    2.35768 38.140    0.3
34 -1 4 1    2.27995 39.493    0.8
35 0 3 2    2.25438 39.960    1.3
36 -2 3 1    2.24226 40.185    1.3
37 -2 0 2    2.22472 40.516    17.6
38 2 3 1    2.19435 41.102    6.7
39 -2 1 2    2.17746 41.435    0.9
40 3 0 0    2.17009 41.582    3.5
41 -1 3 2    2.15439 41.899    15.3
42 2 0 2    2.13392 42.321    2.1
43 3 1 0    2.12616 42.483    1.6
44 1 3 2    2.11179 42.786    39.8
45 2 1 2    2.09211 43.208    2.5
46 -3 0 1    2.06340 43.841    1.6
47 2 4 0    2.05743 43.974    1.6
48 -2 2 2    2.05191 44.099    0.6
49 -3 1 1    2.02552 44.704    3.5
50 1 5 0    2.01925 44.851    2.1
51 3 2 0    2.00788 45.118    2.5
52 0 5 1    1.99691 45.380    0.5
53 2 2 2    1.98002 45.789    6.4
54 3 1 1    1.97292 45.963    6.7
55 0 4 2    1.96755 46.096    3.3
56 -2 4 1    1.95754 46.345    0.6
57 0 0 3    1.95362 46.444    0.6
58 -3 2 1    1.92138 47.270    3.9
59 -1 5 1    1.91680 47.390    2.3
60 1 5 1    1.90153 47.794    0.9
61 -1 4 2    1.89826 47.882    0.7
62 -1 0 3    1.89314 48.019    0.7
63 -2 3 2    1.88363 48.277    0.5
64 3 2 1    1.87809 48.429    1.7
65 -1 1 3    1.86376 48.825    2.6
66 3 3 0    1.85013 49.209    51.0
67 0 2 3    1.83347 49.686    4.0
68 2 3 2    1.82756 49.858    3.8
69 1 1 3    1.82253 50.005    2.2
70 -3 0 2    1.77998 51.285    4.7
71 0 6 0    1.77000 51.596    31.3
72 -3 1 2    1.75549 52.054    0.8
73 1 2 3    1.74699 52.326    3.8
74 0 5 2    1.71977 53.219    0.8
75 -2 0 3    1.70693 53.651    12.3
76 0 6 1    1.69442 54.080    0.5
77 2 5 1    1.69142 54.183    0.6
78 3 1 2    1.68830 54.292    1.1
79 -2 1 3    1.68530 54.396    1.3
80 3 4 0    1.68024 54.574    0.9
81 -1 3 3    1.66941 54.958    28.0
82 2 4 2    1.66328 55.177    15.7
83 1 5 2    1.65273 55.560    1.9
84 2 0 3    1.64497 55.845    9.4
85 1 3 3    1.63959 56.044    12.0
86 1 6 1    1.63497 56.217    6.5
87 3 2 2    1.62757 56.495    6.5
88 -2 2 3    1.62503 56.591    3.8
89 4 1 0    1.60879 57.215    1.1
90 3 4 1    1.60147 57.501    1.1
91 -3 3 2    1.59026 57.945    21.8
92 -4 0 1    1.58544 58.138    13.3
93 0 4 3    1.57353 58.620    2.2
94 2 2 3    1.57130 58.712    1.3
95 -4 1 1    1.56806 58.845    1.4
96 4 2 0    1.55498 59.389    4.1
97 4 0 1    1.55156 59.533    4.0
98 -1 4 3    1.53981 60.034    9.2
99 -2 3 3    1.53752 60.133    5.7
100 0 6 2    1.51508 61.118    18.0
101 -2 6 1    1.51049 61.323    20.6
102 2 5 2    1.50539 61.554    8.5
103 2 6 1    1.49559 62.001    8.5
104 2 3 3    1.49178 62.177    5.9
105 4 2 1    1.48929 62.293    2.0
106 4 3 0    1.47876 62.787    2.8
107 0 7 1    1.46864 63.269    0.7
108 0 0 4    1.46521 63.434    4.8
109 3 5 1    1.45911 63.731    1.9
110 0 1 4    1.45146 64.106    0.9
111 -4 0 2    1.44883 64.237    2.6
112 -4 3 1    1.44695 64.330    2.6
113 -1 0 4    1.44246 64.555    1.3
114 0 5 3    1.43788 64.785    1.1
115 -2 4 3    1.43580 64.891    1.1
116 -1 1 4    1.42933 65.221    1.4
117 3 0 3    1.42106 65.648    1.8
118 1 0 4    1.41681 65.870    1.1
119 -1 5 3    1.41325 66.057    1.2
120 3 1 3    1.41002 66.228    2.8
121 1 1 4    1.40436 66.529    1.8
122 4 0 2    1.39821 66.860    3.0
123 1 5 3    1.39502 67.033    1.8
124 -1 2 4    1.39201 67.197    0.7
125 4 4 0    1.38760 67.440    2.1
126 4 1 2    1.38510 67.578    5.8
127 2 7 0    1.37415 68.190    1.5
128 3 6 0    1.37162 68.333    1.5
129 1 2 4    1.36794 68.542    0.8
130 2 6 2    1.36234 68.864    1.0
131 -4 4 1    1.36121 68.929    1.0
132 -2 0 4    1.35755 69.141    1.6
133 0 3 4    1.35383 69.358    1.2
134 4 2 2    1.35212 69.458    1.6
135 0 7 2    1.34659 69.785    0.5
136 -2 7 1    1.34344 69.972    0.9
137 -4 3 2    1.34087 70.126    1.9
138 -1 3 4    1.33582 70.430    1.5
139 2 7 1    1.33200 70.663    0.7
140 -2 5 3    1.33052 70.753    0.5
141 3 6 1    1.32776 70.922    0.9
142 -1 7 2    1.32440 71.129    0.6
143 3 3 3    1.32001 71.402    1.0
144 1 3 4    1.31537 71.693    2.8
145 0 6 3    1.31170 71.925    1.7
146 2 1 4    1.30566 72.310    0.8
147 5 0 0    1.30206 72.541    1.1
148 2 5 3    1.30045 72.646    0.9
149 -3 4 3    1.29481 73.013    0.6
150 5 1 0    1.29238 73.172    1.2
151 0 4 4    1.28249 73.830    1.2
152 1 6 3    1.27892 74.070    1.5
153 -4 0 3    1.27705 74.197    3.8
154 -5 1 1    1.27324 74.457    2.3
155 -4 5 1    1.27052 74.643    0.5
156 -2 3 4    1.26754 74.849    1.0

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2楼2013-02-27 19:23:39

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