File: crystalstructures.txt

package info (click to toggle)
bodr 8-1
  • links: PTS, VCS
  • area: main
  • in suites: lenny
  • size: 2,728 kB
  • ctags: 38
  • sloc: xml: 29,400; perl: 551; sh: 517; makefile: 231; ruby: 123
file content (118 lines) | stat: -rw-r--r-- 5,628 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
# The most common crystalstructure for an element. The names in () are
# the german translations of the names
# hcp: hexagonal close-packed
# bcc: body centered cubic (kubisch raumzentriert)
# ccp: cubic close packed (kubisch dichteste Kugelpackung)
# rh : rhombohedral / trigonal
# or : orthorhombic
# mono: monoclinic
# tri: triclinic
# tp: tetragonal primitive
# sc: simple cubic
#
# Sources: see crystalstructures.bibxml
# License: The MIT License
1 hcp 194 470 470 340 90.000 90.000 120.000
2 ccp 225 424.2 424.2 424.2 90.000 90.000 90.000
3 bcc 229 351 351 351 90.000 90.000 90.000
4 hcp 194 228.58 228.58 358.43 90.000 90.000 90.000
5 rh 166 506 506 506 58.060 58.060 58.060
6 hcp 194 246.4 246.4 671.1 90.000 90.000 120.000
7 hcp 194 386.1 386.1 626.5 90.000 90.000 120.000
8 mono 12 540.3 342.9 508.6 90.000 132.530 90.000
9 mono 15 550 328 728 90.000 90.000 90.000
10 ccp 225 442.9 442.9 442.9 90.000 90.000 90.000
11 bcc 229 429.06 429.06 429.06 90.000 90.000 90.000
12 hcp 194 320.94 320.94 524.08 90.000 90.000 120.000
13 ccp 225 404.95 404.95 404.95 90.000 90.000 90.000
# Webelements lists Silicone as Diamond-structure, but that is not a 
# Real type. Therefore I called it ccp
# cf http://en.wikipedia.org/wiki/Silicium
14 ccp 227 543.09 543.09 543.09 90.000 90.000 90.000
15 tri 2 1145 505.3 1126.1 71.840 90.370 71.560
16 or 70 1043.7 1284.5 2436.9 90.000 90.000 90.000
17 or 64 622.35 445.61 817.85 90.000 90.000 90.000
18 ccp 225 525.6 525.6 525.6 90.000 90.000 90.000
19 bcc 229 532.8 532.8 532.8 90.000 90.000 90.000
20 ccp 225 558.84 558.84 558.84 90.000 90.000 90.000
21 hcp 194 330.9 330.9 527.33 90.000 90.000 120.000
22 hcp 194 295.8 295.8 468.55 90.000 90.000 120.000
23 bcc 229 303 303 303 90.000 90.000 90.000
24 bcc 229 291 291 291 90.000 90.000 90.000
25 sc 217 891.25 891.25 891.25 90.000 90.000 90.000
26 bcc 229 286.65 286.65 286.65 90.000 90.000 90.000
27 hcp 194 250.71 250.71 406.95 90.000 90.000 120.000
28 ccp 225 352.4 352.4 352.4 90.000 90.000 90.000
29 ccp 225 361.49 361.49 361.49 90.000 90.000 90.000
30 hcp 194 266.49 266.49 494.68 90.000 90.000 120.000
31 or 64 451.97 766.33 452.6 90.000 90.000 90.000
32 ccp 225 565.75 565.75 565.75 90.000 90.000 90.000
33 rh 166 375.98 375.98 1054.75 90.000 90.000 120.000
34 mono 14 905.4 908.3 1160.1 90.000 90.810 90.000
35 or 64 672.65 464.51 870.23 90.000 90.000 90.000
36 ccp 225 570.6 570.6 570.6 90.000 90.000 90.000
37 bcc 229 558.5 558.5 558.5 90.000 90.000 90.000
38 ccp 225 608.49 608.49 608.49 90.000 90.000 90.000
39 hcp 194 364.74 364.74 573.06 90.000 90.000 120.000
40 hcp 194 323.2 323.2 514.7 90.000 90.000 120.000
41 bcc 229 330.04 330.04 330.04 90.000 90.000 90.000
42 bcc 229 314.7 314.7 314.7 90.000 90.000 90.000
43 hcp 194 273.5 273.5 438.8 90.000 90.000 120.000
44 hcp 194 270.59 270.59 428.15 90.000 90.000 120.000
45 ccp 225 380.34 380.34 380.34 90.000 90.000 90.000
46 ccp 225 389.07 389.07 389.07 90.000 90.000 90.000
47 ccp 225 408.53 408.53 408.53 90.000 90.000 90.000
48 hcp 194 297.94 297.94 561.86 90.000 90.000 120.000
49 tet 139 325.23 325.23 494.61 90.000 90.000 90.000
50 tet 141 583.18 583.18 318.19 90.000 90.000 90.000
51 rh 166 430.7 430.7 1127.3 90.000 90.000 120.000
52 rh 152 445.72 445.72 592.9 90.000 90.000 120.000
53 or 64 718.02 471.02 981.03 90.000 90.000 90.000
54 ccp 225 620.23 620.23 620.23 90.000 90.000 90.000
55 bcc 229 614.1 614.1 614.1 90.000 90.000 90.000
56 bcc 229 502.8 502.8 502.8 90.000 90.000 90.000
57 hcp 194 377.2 377.2 1214.4 90.000 90.000 120.000
58 hcp 194 362 362 599 90.000 90.000 120.000
59 hcp 194 367.25 367.25 1183.54 90.000 90.000 120.000
60 hcp 194 365.8 365.8 1179.9 90.000 90.000 120.000
# No data found so far for Pm
# 61 
62 rh 166 362.1 362.1 2625 90.000 90.000 120.000
63 bcc 229 458.1 458.1 458.1 90.000 90.000 90.000
64 hcp 194 363.6 363.6 578.26 90.000 90.000 120.000
65 hcp 194 360.1 360.1 569.36 90.000 90.000 120.000
66 hcp 194 359.3 359.3 565.37 90.000 90.000 120.000
67 hcp 194 357.73 357.73 561.58 90.000 90.000 120.000
68 hcp 194 355.88 355.88 558.74 90.000 90.000 120.000
69 hcp 194 353.75 353.75 555.46 90.000 90.000 120.000
70 ccp 225 548.47 548.47 548.47 90.000 90.000 90.000
71 hcp 194 350.31 350.31 555.09 90.000 90.000 120.000
72 hcp 194 319.64 319.64 505.11 90.000 90.000 120.000
73 bcc 229 330.13 330.13 330.13 90.000 90.000 90.000
74 bcc 229 316.52 316.52 316.52 90.000 90.000 90.000
75 hcp 194 276.1 276.1 445.6 90.000 90.000 120.000
76 hcp 194 273.44 273.44 431.73 90.000 90.000 120.000
77 ccp 225 383.9 383.9 383.9 90.000 90.000 90.000
78 ccp 225 392.42 392.42 392.42 90.000 90.000 90.000
79 ccp 225 407.82 407.82 407.82 90.000 90.000 90.000
80 rh 166 300.5 300.5 300.5 70.520 70.520 70.520
81 hcp 194 345.66 345.66 552.48 90.000 90.000 120.000
82 ccp 225 495.08 495.08 495.08 90.000 90.000 90.000
83 mono 12 667.4 611.7 330.4 90.000 110.330 90.000
# I am not 100% sure that Polonium is really bcc, but it is cubic
84 bcc 221 335.9 335.9 335.9 90.000 90.000 90.000
#85 no information found
#86 no information found
#87 no information found
88 bcc 229 514.8 514.8 514.8 90.000 90.000 90.000
89 ccp 225 567 567 567 90.000 90.000 90.000
90 ccp 225 508.42 508.42 508.42 90.000 90.000 90.000
91 tet 139 392.5 392.5 323.8 90.000 90.000 90.000
92 or 63 285.37 586.95 495.48 90.000 90.000 90.000
93 or 62 666.3 472.3 488.7 90.000 90.000 90.000
94 mono 11 618.3 482.2 1096.3 90.000 101.790 90.000
95 hcp 194 346.81 346.81 1124.1 90.000 90.000 120.000
96 hcp 194 349.6 349.6 1133.1 90.000 90.000 120.000
97 hcp 194 341.6 341.6 1106.9 90.000 90.000 120.000
98 hcp 194 338 338 1102.5 90.000 90.000 120.000
#99 no data found for elements post 98