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User:Double sharp/Crystallographic properties of the elements

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Data from Arblaster (2018), Selected Values of the Crystallographic Properties of Elements.

The data is for 293.15 K, unless we are dealing with elements that are not solid at that temperature (H, He, N, O, F, Ne, Cl, Ar, Br, Kr, Xe, Hg, Rn), when the triple point is used. No data is included for elements 104–118. There exists predicted data for some of those elements, but you will have increasing troubles as relativistic effects get higher, so the predictions are not in agreement. :)

For some reason only the triple point is given for Te and I. The data is for the usual 293.15 K still, as these are solid then.

For rhombohedral phases, both the rhombohedral parameters ar, α and the equivalent hexagonal parameters ah, ch are given. They are related by , , or (going the other way) by , . So really, you only need to give one set.

Z Symbol Structure Pearson Lattice parameters (nm) Molar volume (cm3 mol−1) Density (kg m−3) Thermal expansion coefficient (10−6 K−1) Notes Melting point (K)
 
1 H (n-H2) hcp hP4 a 0.37897
c 0.61831
23.16 87.06 αa 1366
αc 863
αavr 1198
triple point 13.95 K
normal hydrogen (protium), 75% o-H2 25% p-H2
1 D (n-D2) hcp hP4 a 0.36362
c 0.59252
20.43 197.1 αa 2078
αc 1411
αavr 1856
triple point 18.72 K
normal deuterium, 75% o-D2 25% p-D2
2 3He bcc cI2 0.4359 24.939 120.9 melting curve minimum 0.31524 K, 29.3113 bar
2 4He hcp hP2 a 0.3666
c 0.5987
20.983 190.8 melting curve minimum 0.775 K, 25.316 bar
3 Li bcc cI2 0.35093 13.013 533.4 46.56 453.65 (5)
4 Be hcp hP2 a 0.22860
c 0.35842
4.844 1845 αa 12.03
αc 8.88
αavr 10.98
1560 (5)
α–β transition at 1543 (5)
5 B (α-B) rhomb hR12 ah 0.49065
ch 1.25658
ar 0.50566
α 58.046°
4.382 2467 α-rhombohedral (metastable) 2360
5 B (β-B) rhomb hR107 ah 1.0933
ch 2.3825
ar 1.0145
α 65.212°
4.640 2330 αa 2.93
αc 3.01
αavr 2.96
β-rhombohedral (stable)
6 C hex hP4 a 0.24614
c 0.67094
5.300 2266 αa −1.23
αc 27.5
αavr 8.35
graphite (stable)
6 C cubic cF8 0.356707 3.4166 3515 1.020 diamond (metastable)
6 C fcc cF240 1.4158 427.25 1687 15.23 β-C60 fullerene
6 C rhomb hR70 ah 1.0119
ch 2.7877
ar 1.0976
α 54.894°
496.18 1694 αah 74.4
αch −124
αavr 8.0
β-C70 fullerene
7 N (β-N2) hcp hP4 a 0.41158
c 0.67343
29.75 941.7 αa 915
αc 899
αavr 910
triple point 63.15 K
8 O (γ-O2) cubic cP16 0.67828 23.49 1362 889 triple point 54.36 K
8 O (O3) ortho oP24 a 0.80353
b 0.66589
c 0.69493
27.99 1715 αa 474
αb 59
αc 391
αavr 308
triple point 80.6 K
9 F (β-F2) cubic cP16 0.6568 21.33 1781 800 triple point 53.48 K
estimated, exp. data low-accuracy
10 Ne fcc cF4 0.45377 14.067 1435 1934 triple point 24.56 K
11 Na bcc cI2 0.42874 23.730 968.8 69.91 370.944 (5)
12 Mg hcp hP2 a 0.32091
c 0.52103
13.992 1737 αa 25.35
αc 27.03
αavr 25.91
923 (1)
13 Al fcc cF4 0.40493 9.996 2699 22.87 933.473
14 Si cubic cF8 0.5430986 12.058600 2329.085 2.556 1690
15 P cubic cI232 1.869 67.78 1828 110 α-white (metastable) 317.30 (10)
β–α transition at 195.4
15 P ortho oS8 a 0.33137
b 1.0477
c 0.43755
45.74 2709 295–473 K:
αa 53 (5)
αb 10 (2)
αc 0 (5)
black (stable) transforms to violet at 820
15 P mono mP84 a 0.921
b 0.915
c 2.260
β 106.1°
52.47 2361 violet (metastable) sublimes at 964
16 S (α-S8) ortho oF128 a 1.0460
b 1.2861
c 2.4481
123.96 2069 αa 104
αb 92
αc 56
αavr 84
α (stable) α–β transition at 368.39
16 S (β-S8) mono mP48 a 1.0923
b 1.0851
c 1.0787
β 95.905°
127.65 2010 β (metastable) triple point at 393.57 (direct melting to pure S8 liquid)
388.31 (as rings partially autodissociate in liquid on standing)
17 Cl (Cl2) ortho oS8 a 0.63080
b 0.45583
c 0.81549
35.30 2009 αa 198
αb 422
αc −74.2
αavr 182
triple point 172.17 K
18 Ar fcc cF4 0.54691 24.629 1622 726.5 triple point 83.81 K
19 K bcc cI2 0.53269 45.514 859.0 77.37 336.6 (2)
20 Ca fcc cF4 0.5588 26.27 1526 22.27 1115 (2)
α–β transition at 716 (3)
21 Sc hcp hP2 a 0.33089
c 0.52680
15.041 2989 αa 7.98
αc 13.94
αavr 9.97
1814
α–β transition at 1610
22 Ti hcp hP2 a 0.29505
c 0.46833
10.632 4502 αa 9.48
αc 10.06
αavr 9.68
1943 (2)
α–β transition at 1159 (7)
23 V bcc cI2 0.30272 8.353 6099 8.77 2201
24 Cr bcc cI2 0.28849 7.230 7192 4.81 2135
Néel temperature 311.4
spin flip temperature 123
25 Mn (α-Mn) cubic cI58 0.89116 7.348 7476 23.61 α (stable) 1518 (5)
α–β transition at 980 (20)
Néel temperature 95.6 (1)
25 Mn (β-Mn) cubic cP20 0.63146 7.582 7246 34.33 β (metastable) β–γ transition at 1361 (10)
γ–δ transition at 1411 (5)
26 Fe bcc cI2 0.28665 7.092 7874 12.07 1811
α–β Curie transition at 1043
β–γ transition at 1185
γ–δ at 1667
27 Co (α-Co) hcp hP2 a 0.25071
c 0.40700
6.671 8834 αa 10.9
αc 17.0
αavr 12.9
α (stable) 1768 (3)
α–β transition at 695
Curie temperature 1394
27 Co (β-Co) fcc cF4 0.35447 6.705 8789 12.82 β (metastable)
28 Ni fcc cF4 0.35241 6.589 8907 12.83 1728 (1)
Curie temperature 628.2
29 Cu fcc cF4 0.36150 7.112 8935 16.64 1357.77
30 Zn hcp hP2 a 0.26646
c 0.49455
9.156 7140 αa 13.06
αc 64.12
αavr 30.08
692.677
31 Ga ortho oS8 a 0.45205
b 0.76625
c 0.45266
11.803 5907 αa 31.9
αb 16.2
αc 13.3
αavr 20.5
302.9146
32 Ge cubic cF8 0.565774 13.633 5327 5.79 1211.4
33 As rhomb hR2 ah 0.37599
ch 1.05458
ar 0.41315
α 54.133°
12.959 5782 αah 3.08
αch 43.34
αavr 16.50
grey (stable) sublimes at 887 (1)
melts at 1090 (1) at 36.3 bar
34 Se hex hP3 a 0.43646
c 0.49577
16.418 4810 αa 69.0
αc −13.4
αavr 41.5
trigonal (stable) 494.29 (2)
34 Se (α-Se8) mono mP32 a 0.9055 (3)
b 0.9079 (5)
c 1.1597 (6)
β 90.81 (5)°
143.52 (12) 4402 (4) 293–353 K:
αa −1.5
αb 84.7
αc 63.3
αβ° 5.5
α-monoclinic 413
35 Br (Br2) ortho oS8 a 0.67430
b 0.46685
c 0.87002
41.23 3876 αa 159
αc 330
αc −16.9
αavr 157
triple point 265.90 K
36 Kr fcc cF4 0.58357 29.920 2801 539.6 triple point 115.78 K
37 Rb bcc cI2 0.5699 55.73 1534 85.6 312.45 (10)
38 Sr fcc cF4 0.6086 33.94 2582 22.55 1041 (2)
α–β transition at 820 (3)
39 Y hcp hP2 a 0.36483
c 0.57317
19.894 4469 αa 7.42
αc 18.80
αavr 11.21
1795
α–β transition at 1751
40 Zr hcp hP2 a 0.32322
c 0.51479
14.024 6505 αa 4.91
αc 7.26
αavr 5.69
2127 (8)
α–β transition at 1139
41 Nb bcc cI2 0.33005 10.826 8582 7.07 2745 (7)
superconducting transition temperature 9.2880 (25)
42 Mo bcc cI2 0.31471 9.385 10223 5.10 2895 (4)
43 Tc hcp hP2 a 0.27412
c 0.43990
8.620 11359 (98Tc)
11475 (99Tc)
8.17483 2430 (30)
superconducting transition temperature 7.86
44 Ru hcp hP2 a 0.27058
c 0.42816
8.174 12364 αa 5.77
αc 8.80
αavr 6.78
2606 (10)
45 Rh fcc cF4 0.38034 8.283 12423 8.46 2236 (3)
46 Pd fcc cF4 0.38902 8.864 12007 11.77 1828.0 (1)
47 Ag fcc cF4 0.40860 10.270 10503 18.92 1234.93
48 Cd hcp hP2 a 0.29789
c 0.56166
12.997 8649 αa 18.91
αc 55.03
αavr 30.95
594.219 (1)
49 In bct tI2 a 0.32516
c 0.49471
15.749 7290 αa 53.2
αc −9.75
αavr 32.2
429.7485
superconducting transition temperature 3.4145 (25)
50 Sn (β-Sn) bct tI4 a 0.58313
c 0.31811
16.285 7289 αa 16.19
αc 32.89
αavr 21.76
β (stable) 505.078
50 Sn (α-Sn) cubic cF8 0.64896 20.574 5770 5.20 α (metastable) α–β transition at 286.2
(though β remains metastable to lowest temperatures)
51 Sb rhomb hR2 ah 0.43084
ch 1.12736
ar 0.45066
α 57.112°
18.190 6694 αah 8.24
αch 16.62
αavr 11.04
903.778 (1)
52 Te hex hP3 a 0.44559
c 0.59275
20.460 6237 αa 29.6
αc −2.28
αavr 19.0
at 293.15 K as usual! triple point 722.95 (5)
53 I (I2) ortho oS8 a 0.72579
b 0.47828
c 0.98238
51.341 4944 αa 86.5
αb 126
αc 12.3
αavr 74.9
at 293.15 K as usual! triple point 386.75
54 Xe fcc cF4 0.63484 38.520 3408 337.2 triple point 161.41 K
55 Cs bcc cI2 0.6162 70.45 1886 92.6 301.6 (1)
56 Ba bcc cI2 0.5025 38.21 3594 20.47 1000 (3)
57 La (α-La) dhcp hP4 a 0.37742
c 1.2171
22.605 6145 αa 2.9
αc 9.5
αavr 5.1
α (stable) 1191
α–β transition at 566
β–γ transition at 1138
57 La (β-La) fcc cF4 0.53060 22.490 6176 7.8 β (metastable)
58 Ce (γ-Ce) fcc cF4 0.51612 20.699 6769 6.1 γ (stable) 1071
α–β transition at 96
β–γ transition at 283
γ–δ transition at 999
58 Ce (β-Ce) dhcp hP4 a 0.36811
c 1.1857
20.948 6689 6.1 β (metastable)
59 Pr dhcp hP4 a 0.36723
c 1.18328
20.806 6773 αa 1.4
αc 10.8
αavr 4.5
1204
α–β transition at 1068
60 Nd dhcp hP4 a 0.36583
c 1.17968
20.585 7007 αa 4.8
αc 10.5
αavr 6.7
1295
α–β transition at 1135
61 Pm dhcp hP4 a 0.36393
c 1.1739
20.272 7149 (145Pm)
7247 (147Pm)
αa 11.1
αc 15.0
αavr 12.4
estimated, exp. data low-accuracy 1315
α–β transition at 1163
62 Sm rhomb hR3 ah 0.36291
ch 2.6207
ar 0.89834
α 23.307°
20.001 7518 αa 5.9
αc 16.0
αavr 9.3
1347
α–β transition at 1004
β–γ transition at 1195
63 Eu bcc cI2 0.45822 28.970 5246 26.3 1095
α–β and Néel transition at 90.4
64 Gd hcp hP2 a 0.36337
c 0.57821
19.908 7899 αa 9.37
αc −83.0
αavr −21.4
1586
α–β transition at 1508
Curie temperature 294 (1)
65 Tb hcp hP2 a 0.36056
c 0.56966
19.312 8229 αa 8.47
αc 14.0
αavr 10.3
1629
α–β transition and Curie temperature at 221.45
β–γ transition at 1562
66 Dy hcp hP2 a 0.35916
c 0.56501
19.006 8550 αa 6.9
αc 16.2
αavr 10.0
1685
α–β transition and Curie temperature at 90.5
β–γ transition at 1654
67 Ho hcp hP2 a 0.35780
c 0.56177
18.753 8795 αa 4.45
αc 18.4
αavr 9.09
1747
Curie temperature 17.8
68 Er hcp hP2 a 0.35593
c 0.55849
18.450 9065 αa 5.64
αc 17.6
αavr 9.63
1802
Curie temperature 18.7
69 Tm hcp hP2 a 0.35377
c 0.55539
18.126 9320 αa 3.6
αc 20.3
1818
Curie temperature 32.6
70 Yb fcc cF4 0.54846 24.839 6967 24.31 1092
α–β transition at 270
β–γ transition at 1068
71 Lu hcp hP2 a 0.35053
c 0.55493
17.780 9840 αa 7.06
αc 20.10
αavr 11.40
1936
72 Hf hcp hP2 a 0.31942
c 0.50512
13.439 13281 αa 6.09
αc 7.77
αavr 6.65
2502 (20)
α–β transition at 2016 (20)
73 Ta bcc cI2 0.33029 16.849 16678 6.57 3293 ± 15
superconducting transition temperature 4.4924
74 W bcc cI2 0.31652 9.548 19254 4.42 3687 (7)
75 Re hcp hP2 a 0.27610
c 0.44584
8.863 21010 αa 6.07
αc 4.69
αavr 5.61
3458 (20)
76 Os hcp hP2 a 0.27342
c 0.43199
8.421 22589 αa 4.57
αc 5.85
αavr 4.99
3400 ± 50
77 Ir fcc cF4 0.38392 8.519 22562 6.47 2719 (6)
78 Pt fcc cF4 0.39236 9.094 21452 8.93 2041.3 (4)
79 Au fcc cF4 0.40786 10.215 19283 14.13 1337.33
80 Hg rhomb hR1 ah 0.34764
ch 0.67320
ar 0.30106
α 70.529°
14.143 14183 αah 52.2
αch 66.5
αavr 57.0
triple point 234.32 K 234.3210 (5)
β–α transition should be 79, but in practice fails to happen at standard pressure, so α retained to lowest temperatures usually
α superconducting transition temperature 4.15 (1)
β superconducting transition temperature 3.95 (1)
81 Tl hcp hP2 a 0.34566
c 0.55252
17.215 11873 αa 26.3
αc 36.5
αavr 29.7
577 (1)
α–β transition at 507 (1)
α superconducting transition temperature 2.38 (4)
82 Pb fcc cF4 0.49499 18.259 11348 28.73 600.612 (1)
superconducting transition temperature 7.1997 (25)
83 Bi rhomb hR2 ah 0.45462
ch 1.18617
ar 0.47458
α 57.236°
21.310 9807 αah 11.26
αch 16.74
αavr 13.09
544.552 (1)
84 Po cubic cP1 0.3359 22.82 9157 (209Po)
9200 (210Po)
30 α (stable) 527
α–β transition at 319
85 At fcc cF4 0.539 23.6 8910 (210At)
8950 (211At)
estimated (no exp. data!) 573
86 Rn fcc cF4 0.7008 51.82 4285 (222Rn) triple point 207.7 K
estimated (no exp. data!)
87 Fr bcc cI2 0.6704 90.72 2458 (223Fr) estimated (no exp. data!) 296
88 Ra bcc cI2 0.5148 41.08 5502 (226Ra) 973
89 Ac fcc cF4 0.5315 22.60 10040 (227Ac) 1500
probably transition at 1400
90 Th fcc cF4 0.50845 19.790 11725 11.54 2023 (10)
α–β transition at 1633 (20)
91 Pa bct tI2 a 0.3921
c 0.3235
14.98 15430 αa 12.1
αc 11.0
αavr 11.8
1845 (20)
α–β transition at 1500
92 U ortho oS4 a 0.28535
b 0.58697
c 0.49552
12.495 19050 αa 25.27
αb 0.76
αc 20.35
αavr 15.46
1407 (1)
α–β transition at 941 (1)
β–γ transition at 1049 (2)
93 Np ortho oP8 a 0.4723
b 0.4887
c 0.6663
11.58 20480 (237Np) αa 24.5
αb 25.3
αc 33.6
αavr 27.8
912 (3)
α–β transition at 553 (3)
β–γ transition at 849 (3)
94 Pu mono mP16 a 0.6183
b 0.4822
c 1.0964
β 101.79°
12.04 20260 (244Pu)
19850 (239Pu)
αa 54.8
αb 65.4
αc 26.9
α1 59.5
α3 26.9
αavr 49.6
φ 13.84°
913.0
α–β transition at 397.6
β–γ transition at 487.9
γ–δ transition at 593.1
δ–δ' transition at 736.0
δ'–ε transition at 755.7
95 Am dhcp hP4 a 0.3471
c 1.1245
17.66 13760 (243Am)
13650 (241Am)
αa 6.5
αc 8.8
αavr 7.3
1449 (5)
α–β transition at 1042 (10)
β–γ transition at 1350 (5)
96 Cm dhcp hP4 a 0.3496
c 1.1330
18.06 13680 (247Cm)
13740 (248Cm)
mean 90–300 K:
αa 8.7 (1.7)
αc 12.8 (7)
1619 (50)
α–β transition at 1550
97 Bk dhcp hP4 a 0.3414
c 1.1065
16.82 14690 (247Bk)
14810 (249Bk)
mean 90–300 K:
αa 10.8 (1.4)
αc 17.8 (1.2)
1323 (50)
α–β transition at 1250 (50)
98 Cf dhcp hP4 a 0.3382
c 1.1033
16.45 15260 (251Cf)
15140 (249Cf)
1173 (30)
α–β transition at 863
99 Es hcp hP2 a 0.398
c 0.650
26.85 9390 (252Es)
9430 (253Es)
1133 (50)
α–β transition at 573
100 Fm fcc cF4 0.566 27.25 9430 (257Fm) estimated (no exp. data!)
101 Md fcc cF4 0.561 26.64 9690 (258Md) estimated (no exp. data!)
102 No fcc cF4 0.557 26.05 9950 (259No) estimated (no exp. data!)
103 Lr hcp hP2 a 0.332
c 0.542
15.58 16820 (262Lr) estimated (no exp. data!)