User:Double sharp/Crystallographic properties of the elements

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 a_r, α and the equivalent hexagonal parameters a_h, c_h are given. They are related by $a_{h}=2a_{r}\sin(\alpha /2)$, $c_{h}=a_{r}{\sqrt {3+6\cos \alpha }}$, or (going the other way) by $a_{r}^{2}=a_{h}^{2}/3+c_{h}^{2}/9$, $\sin(\alpha /2)=a_{h}/(2a_{r})$. 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!)