Date: 01/12/2017 Time: 12:37:03 File: Amanda (Silicato Tricalcico) User: amand

Name and formula

Reference code: 01-073-0599

ICSD name: Calcium Silicate Oxide

Empirical formula: Ca3O5Si

Chemical formula: Ca3 ( SiO4 ) O

Crystallographic parameters
Crystal system: Rhombohedral
Space group: R3m
Space group number: 160

a (Å): 7,0567
b (Å): 7,0567
c (Å): 24,9740
Alpha (°): 90,0000
Beta (°): 90,0000
Gamma (°): 120,0000

Calculated density (g/cm^3): 3,17

Volume of cell (10^6 pm^3): 1077,02
Z: 9,00

RIR: 1,28

Subfiles and Quality

Subfiles: Inorganic
Modelled additional pattern
Quality: Calculated (C)

Comments
Additional pattern: See PDF 16-406.
ICSD collection code: 022501

References
Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Ilinetz, A.M., Malinowskii, Y.A., Newskii, N.N., Dokl. Akad. Nauk SSSR, 281, 332, (1985)

Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 0 0 3 8,32467 10,619 1,2
2 1 0 1 5,93613 14,912 5,8
3 0 1 2 5,48915 16,134 1,9
4 1 0 4 4,36732 20,318 0,4
5 0 0 6 4,16233 21,330 3,9
6 0 1 5 3,86742 22,978 5,0
7 1 1 0 3,52835 25,220 6,3
8 1 1 3 3,24860 27,433 4,9

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Date: 01/12/2017 Time: 12:37:03 File: Amanda (Silicato Tricalcico) User: amand
9 0 2 1 3,03302 29,425 85,0
10 2 0 2 2,96807 30,084 13,1
11 0 0 9 2,77489 32,234 64,8
12 0 2 4 2,74457 32,600 82,1
13 1 1 6 2,69146 33,261 6,4
14 2 0 5 2,60656 34,378 100,0
15 0 2 7 2,32079 38,770 26,4
16 1 0 10 2,31181 38,926 16,1
17 2 1 1 2,30003 39,134 2,9
18 1 2 2 2,27131 39,649 1,3
19 2 0 8 2,18366 41,312 45,0
20 2 1 4 2,16635 41,657 17,0
21 0 1 11 2,12824 42,439 0,7
22 1 2 5 2,09652 43,113 1,6
23 0 0 12 2,08117 43,447 1,1
24 3 0 0 2,03709 44,437 0,5
25 0 3 3 1,97871 45,821 16,0
26 0 2 10 1,93371 46,951 13,0
27 1 2 8 1,85682 49,020 0,6
28 0 3 6 1,82972 49,795 4,8
29 2 0 11 1,82239 50,009 2,4
30 1 1 12 1,79257 50,899 1,0
31 2 2 0 1,76417 51,779 66,5
32 2 2 3 1,72585 53,017 0,1
33 0 1 14 1,71240 53,466 0,2
34 2 1 10 1,69574 54,034 1,5
35 1 3 1 1,69107 54,196 0,9
36 3 1 2 1,67956 54,598 0,6
37 0 0 15 1,66493 55,118 0,9
38 3 0 9 1,64211 55,951 5,6
39 1 3 4 1,63576 56,187 2,8
40 0 2 13 1,62636 56,541 29,8
41 3 1 5 1,60507 57,360 0,3
42 2 0 14 1,54055 60,002 17,8
43 1 3 7 1,53097 60,417 1,3
44 4 0 1 1,52497 60,679 4,2
45 0 4 2 1,51651 61,054 1,2
46 1 0 16 1,51233 61,241 0,9
47 1 1 15 1,50572 61,539 0,5
48 3 1 8 1,48877 62,317 32,7
49 4 0 4 1,48403 62,538 22,5
50 2 1 13 1,47701 62,869 1,7
51 0 4 5 1,46100 63,639 12,6
52 0 1 17 1,42837 65,270 1,4
53 1 2 14 1,41184 66,131 0,5
54 4 0 7 1,40446 66,524 1,0
55 3 2 1 1,39982 66,773 1,3
56 0 2 16 1,39002 67,306 1,4
57 0 0 18 1,38744 67,448 4,8
58 0 4 8 1,37229 68,295 3,5
59 3 2 4 1,36796 68,541 2,0
60 3 1 11 1,35821 69,103 0,3
61 2 3 5 1,34985 69,592 0,7
62 2 2 12 1,34573 69,836 0,5
63 4 1 0 1,33359 70,566 0,4
64 2 0 17 1,32399 71,155 1,7
65 4 1 3 1,31680 71,603 1,7
66 4 0 10 1,30328 72,463 2,4
67 2 1 16 1,29328 73,113 0,1
68 0 3 15 1,28914 73,386 0,9

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Date: 01/12/2017 Time: 12:37:03 File: Amanda (Silicato Tricalcico) User: amand
69 1 0 19 1,28503 73,660 0,5
70 2 3 8 1,27896 74,068 0,6
71 4 1 6 1,27000 74,679 1,0
72 0 4 11 1,26754 74,849 1,1
73 1 2 17 1,23959 76,839 0,5
74 3 1 14 1,22874 77,644 0,3
75 0 1 20 1,22255 78,112 1,4
76 5 0 2 1,21644 78,579 0,1
77 2 2 15 1,21085 79,013 0,2
78 0 2 19 1,20745 79,279 1,9
79 1 4 9 1,20199 79,711 1,3
80 0 5 4 1,19949 79,911 1,6
81 4 0 13 1,19577 80,210 6,8
82 2 3 11 1,19290 80,442 3,5
83 0 0 21 1,18924 80,741 0,3
84 5 0 5 1,18723 80,906 0,3
85 3 3 0 1,17612 81,832 0,8
86 3 3 3 1,16455 82,822 0,2
87 0 4 14 1,16039 83,185 5,6
88 2 4 1 1,15369 83,777 3,1
89 4 2 2 1,15002 84,105 1,9
90 3 0 18 1,14673 84,402 0,8
91 2 1 19 1,14241 84,796 1,4
92 2 4 4 1,13566 85,419 9,2
93 3 2 13 1,13250 85,715 4,9
94 4 2 5 1,12523 86,404 9,1
95 4 1 12 1,12284 86,633 5,3
96 1 0 22 1,11609 87,288 0,5
97 3 1 17 1,11012 87,877 1,2
98 2 3 14 1,10231 88,662 0,3
99 2 4 7 1,09879 89,022 1,2
100 5 1 1 1,09656 89,251 0,7
101 2 2 18 1,09058 89,873 10,8

Stick Pattern

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Date: 01/12/2017 Time: 12:37:03 File: Amanda (Silicato Tricalcico) User: amand

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