Date: 01/12/2017 Time: 00:07:33 File: Amanda (Silicato Tricalcico) User: amand

Name and formula

Reference code: 01-085-1378

Mineral name: Hartrurite, syn

ICSD name: Calcium Silicate Oxide

Empirical formula: Ca3O5Si

Chemical formula: Ca3 ( SiO4 ) O

Crystallographic parameters
Crystal system: Monoclinic
Space group: Cm
Space group number: 8

a (Å): 33,0830
b (Å): 7,0270
c (Å): 18,4990
Alpha (°): 90,0000
Beta (°): 94,1200
Gamma (°): 90,0000

Calculated density (g/cm^3): 3,18

Volume of cell (10^6 pm^3): 4289,43
Z: 36,00

RIR: 0,80

Subfiles and Quality

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

Comments
ICSD collection code: 064759
Test from ICSD: At least one TF implausible.

References
Primary reference: Calculated from ICSD using POWD-12++, (1997)
Structure: Nishi, F., Takeuchi, Y., Maki, I., Z. Kristallogr., 172, 297, (1985)

Peak list
No. h k l d [A] 2Theta[deg] I [%]
1 0 0 1 18,45120 4,785 0,4
2 2 0 0 16,49880 5,352 0,1
3 -2 0 1 12,76300 6,920 0,1
4 2 0 1 11,88210 7,434 0,8
5 0 0 2 9,22560 9,579 0,1
6 -2 0 2 8,31060 10,637 0,4

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Date: 01/12/2017 Time: 00:07:33 File: Amanda (Silicato Tricalcico) User: amand
7 4 0 0 8,24938 10,716 0,3
8 2 0 2 7,81657 11,311 0,3
9 -4 0 1 7,74104 11,422 0,5
10 4 0 1 7,33710 12,053 0,4
11 1 1 0 6,87288 12,870 0,1
12 -1 1 1 6,47234 13,670 0,6
13 1 1 1 6,38150 13,866 0,3
14 0 0 3 6,15040 14,390 0,1
15 3 1 0 5,92169 14,949 14,5
16 -3 1 1 5,70297 15,525 0,1
17 2 0 3 5,63208 15,722 0,2
18 1 1 2 5,47247 16,184 3,7
19 -6 0 1 5,37727 16,472 0,1
20 6 0 1 5,16976 17,138 0,2
21 -4 0 3 5,10987 17,340 0,1
22 -3 1 2 5,07342 17,466 0,1
23 3 1 2 4,88066 18,162 0,1
24 5 1 0 4,81059 18,428 0,1
25 4 0 3 4,76934 18,589 0,1
26 -5 1 1 4,71566 18,803 0,1
27 -1 1 3 4,61767 19,205 0,4
28 1 1 3 4,54950 19,496 0,1
29 -2 0 4 4,52759 19,591 0,2
30 -5 1 2 4,35074 20,396 0,6
31 -6 0 3 4,25433 20,863 0,1
32 3 1 3 4,18570 21,209 0,4
33 -4 0 4 4,15530 21,366 0,4
34 -8 0 1 4,08836 21,720 0,2
35 8 0 1 3,96069 22,429 0,2
36 -1 1 4 3,85692 23,041 6,4
37 1 1 4 3,80387 23,367 0,4
38 -3 1 4 3,70924 23,972 0,1
39 0 0 5 3,69024 24,097 0,3
40 8 0 2 3,66628 24,257 0,4
41 -2 0 5 3,65767 24,315 0,3
42 3 1 4 3,57265 24,903 0,4
43 7 1 2 3,52876 25,217 3,8
44 0 2 0 3,51350 25,329 3,1
45 -4 0 5 3,46256 25,708 0,3
46 0 2 1 3,45148 25,792 0,3
47 -5 1 4 3,42015 26,032 0,3
48 -7 1 3 3,38749 26,288 0,3
49 8 0 3 3,31718 26,855 0,2
50 0 2 2 3,28344 27,136 0,3
51 -1 1 5 3,27170 27,236 0,3
52 -2 2 2 3,23617 27,540 2,1
53 10 0 1 3,20851 27,783 1,1
54 -6 0 5 3,17156 28,113 3,0
55 -9 1 2 3,12891 28,504 0,3
56 3 1 5 3,07889 28,977 1,7
57 10 0 2 3,03854 29,371 37,3
58 4 2 2 3,02422 29,513 79,8
59 8 0 4 2,97052 30,059 13,5
60 6 2 0 2,96084 30,159 25,5
61 6 2 1 2,90591 30,743 0,5
62 -4 2 3 2,89515 30,861 0,5
63 5 1 5 2,85662 31,287 0,7
64 10 0 3 2,82439 31,654 1,0
65 4 0 6 2,81604 31,750 1,0
66 -6 0 6 2,77020 32,290 98,2

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Date: 01/12/2017 Time: 00:07:33 File: Amanda (Silicato Tricalcico) User: amand
67 11 1 0 2,75890 32,426 61,3
68 12 0 0 2,74979 32,536 51,1
69 -9 1 4 2,73623 32,702 89,7
70 -11 1 2 2,69253 33,248 3,4
71 3 1 6 2,68296 33,370 4,6
72 -8 2 1 2,66469 33,605 1,9
73 8 0 5 2,65489 33,733 1,5
74 -8 2 2 2,60150 34,447 100,0
75 -8 0 6 2,55493 35,095 1,4
76 -2 2 5 2,53156 35,430 0,6
77 2 2 5 2,49631 35,947 1,2
78 -4 2 5 2,46621 36,401 0,6
79 4 0 7 2,45734 36,537 0,6
80 -6 0 7 2,44646 36,705 5,0
81 -12 0 4 2,44033 36,801 3,0
82 8 2 3 2,41202 37,248 0,1
83 10 2 0 2,40529 37,356 0,1
84 -10 2 1 2,39832 37,469 0,2
85 13 1 0 2,38730 37,648 0,5
86 9 1 5 2,36560 38,007 0,8
87 -14 0 1 2,35937 38,111 1,0
88 7 1 6 2,35109 38,251 0,8
89 -14 0 2 2,32401 38,714 5,9
90 0 2 6 2,31403 38,888 16,2
91 -9 1 6 2,30853 38,984 10,5
92 3 3 0 2,29096 39,295 2,2
93 -10 2 3 2,28097 39,474 2,5
94 2 2 6 2,27420 39,597 2,2
95 8 2 4 2,26843 39,702 1,6
96 1 3 2 2,26221 39,816 1,6
97 -14 0 3 2,25571 39,935 1,3
98 -7 1 7 2,24950 40,050 0,6
99 -3 3 2 2,23126 40,392 0,2
100 3 3 2 2,21569 40,688 0,6
101 5 3 0 2,20742 40,847 0,6
102 4 0 8 2,18008 41,383 46,8
103 13 1 3 2,17537 41,477 35,0
104 12 2 0 2,16545 41,676 13,5
105 -5 3 2 2,15859 41,814 10,9
106 8 0 7 2,15204 41,947 4,2
107 11 1 5 2,14278 42,137 0,8
108 12 2 1 2,13674 42,262 0,8
109 12 0 5 2,13276 42,345 0,6
110 7 1 7 2,12840 42,436 0,6
111 -11 1 6 2,12455 42,516 0,6
112 0 2 7 2,10849 42,856 0,5
113 15 1 0 2,09937 43,052 1,2
114 6 2 6 2,09285 43,192 1,7
115 -1 3 4 2,08861 43,284 1,8
116 12 2 2 2,08211 43,426 0,9
117 1 3 4 2,08007 43,471 0,9
118 2 2 7 2,07444 43,595 1,0
119 15 1 1 2,07003 43,693 1,1
120 -10 2 5 2,06513 43,802 2,3
121 -7 3 2 2,05972 43,923 1,3
122 -16 0 2 2,04418 44,274 0,4
123 14 0 4 2,04030 44,363 0,6
124 16 0 1 2,03352 44,519 1,1
125 15 1 2 2,01733 44,896 0,3
126 -5 3 4 2,01007 45,067 0,2

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Date: 01/12/2017 Time: 00:07:33 File: Amanda (Silicato Tricalcico) User: amand
127 -7 3 3 2,00431 45,203 0,4
128 -16 0 3 1,99912 45,327 0,7
129 16 0 2 1,98257 45,727 4,1
130 5 3 4 1,97280 45,966 9,1

Stick Pattern

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