Atomic Scattering Factors for X-ray

Based on International Tables for Crystallography, Vol. C. Table 6.1.1.4. Coefficients for analytical approximation to the scattering factors

E: exact
C: correlated
HF: non-relativistic Hartree-Fock by Thakkar & Smith (1992) and Cromer & Mann (1968)

RHF: relativistic Hartree-Fock based on the calculations of Doyle & Turner (1968) using the wavefunction of Coulthard (1967)
*RHF: relativistic Hartree-Fock based on the calculation of Cromer & Waber (1968) using the wavefunctions of Mann (1968)
*DS: modified Dirac-Slater by Cromer & Waber (1968)

The atomic scattering factor for X-rays, (f), can be approximated as follows:
$$ f(\sin\theta/\lambda) = \sum_{i=1}^4 a_i \exp(-b_i \sin^2\theta/\lambda^2)+c$$

Z	Sym- bol	Note	$a_1$	$b_1$	$a_2$	$b_2$	$a_3$	$b_3$	$a_4$	$b_4$	$c$
1	H	0: HF	0.493002	10.5109	0.322912	26.1257	0.140191	3.14236	0.04081	57.7997	0.003038
1	H	1-: HF	0.897661	53.1368	0.565616	15.187	0.415815	186.576	0.116973	3.56709	0.002389
2	He	0: RHF	0.8734	9.1037	0.6309	3.3568	0.3112	22.9276	0.178	0.9821	0.0064
3	Li	0: RHF	1.1282	3.9546	0.7508	1.0524	0.6175	85.3905	0.4653	168.261	0.0377
3	Li	1+: RHF	0.6968	4.6237	0.7888	1.9557	0.3414	0.6316	0.1563	10.0953	0.0167
4	Be	0: RHF	1.5919	43.6427	1.1278	1.8623	0.5391	103.483	0.7029	0.542	0.0385
4	Be	2+: RHF	6.2603	0.0027	0.8849	0.8313	0.7993	2.2758	0.1647	5.1146	-6.1092
5	B	0: RHF	2.0545	23.2185	1.3326	1.021	1.0979	60.3498	0.7068	0.1403	-0.1932
6	C	0: RHF	2.31	20.8439	1.02	10.2075	1.5886	0.5687	0.865	51.6512	0.2156
6	C	val: HF	2.26069	22.6907	1.56165	0.656665	1.05075	9.75618	0.839259	55.5949	0.286977
7	N	0: RHF	12.2126	0.0057	3.1322	9.8933	2.0125	28.9975	1.1663	0.5826	-11.529
8	O	0: RHF	3.0485	13.2771	2.2868	5.7011	1.5463	0.3239	0.867	32.9089	0.2508
8	O	1-: HF	4.1916	12.8573	1.63969	4.17236	1.52673	47.0179	-20.307	-0.01404	21.9412
9	F	0: RHF	3.5392	10.2825	2.6412	4.2944	1.517	0.2615	1.0243	26.1476	0.2776
9	F	1-: HF	3.6322	5.27756	3.51057	14.7353	1.26064	0.442258	0.940706	47.3437	0.653396
10	Ne	0: RHF	3.9553	8.4042	3.1125	3.4262	1.4546	0.2306	1.1251	21.7184	0.3515
11	Na	0: RHF	4.7626	3.285	3.1736	8.8422	1.2674	0.3136	1.1128	129.424	0.676
11	Na	1+: RHF	3.2565	2.6671	3.9362	6.1153	1.3998	0.2001	1.0032	14.039	0.404
12	Mg	0: RHF	5.4204	2.8275	2.1735	79.2611	1.2269	0.3808	2.3073	7.1937	0.8584
12	Mg	2+: RHF	3.4988	2.1676	3.8378	4.7542	1.3284	0.185	0.8497	10.1411	0.4853
13	Al	0: RHF	6.4202	3.0387	1.9002	0.7426	1.5936	31.5472	1.9646	85.0886	1.1151
13	Al	3+: HF	4.17448	1.93816	3.3876	4.14553	1.20296	0.228753	0.528137	8.28524	0.706786
14	Si	0: RHF	6.2915	2.4386	3.0353	32.3337	1.9891	0.6785	1.541	81.6937	1.1407
		4+: HF	4.43918	1.64167	3.20345	3.43757	1.19453	0.2149	0.41653	6.65365	0.746297
		val: HF	5.66269	2.6652	3.07164	38.6634	2.62446	0.916946	1.3932	93.5458	1.24707
15	P	0: RHF	6.4345	1.9067	4.1791	27.157	1.78	0.526	1.4908	68.1645	1.1149
16	S	0: RHF	6.9053	1.4679	5.2034	22.2151	1.4379	0.2536	1.5863	56.172	0.8669
17	Cl	0: RHF	11.4604	0.0104	7.1964	1.1662	6.2556	18.5194	1.6455	47.7784	-9.5574
17	Cl	1-: RHF	18.2915	0.0066	7.2084	1.1717	6.5337	19.5424	2.3386	60.4486	-16.378
18	Ar	0: RHF	7.4845	0.9072	6.7723	14.8407	0.6539	43.8983	1.6442	33.3929	1.4445
19	K	0: RHF	8.2186	12.7949	7.4398	0.7748	1.0519	213.187	0.8659	41.6841	1.4228
19	K	1+: RHF	7.9578	12.6331	7.4917	0.7674	6.359	-0.002	1.1915	31.9128	-4.9978
20	Ca	0: RHF	8.6266	10.4421	7.3873	0.6599	1.5899	85.7484	1.0211	178.437	1.3751
20	Ca	2+: RHF	15.6348	-0.0074	7.9518	0.6089	8.4372	10.3116	0.8537	25.9905	-14.875
21	Sc	0: RHF	9.189	9.0213	7.3679	0.5729	1.6409	136.108	1.468	51.3531	1.3329
21	Sc	3+: HF	13.4008	0.29854	8.0273	7.9629	1.65943	-0.28604	1.57936	16.0662	-6.6667
22	Ti	0:	9.7595	7.8508	7.3558	0.5	1.6991	35.6338	1.9021	116.105	1.2807
		2+: HF	9.11423	7.5243	7.62174	0.457585	2.2793	19.5361	0.087899	61.6558	0.897155
		3+: HF	17.7344	0.22061	8.73816	7.04716	5.25691	-0.15762	1.92134	15.9768	-14.652
		4+: HF	19.5114	0.178847	8.23473	6.67018	2.01341	-0.29263	1.5208	12.9464	-13.28
23	V	0: RHF	10.2971	6.8657	7.3511	0.4385	2.0703	26.8938	2.0571	102.478	1.2199
		2+: RHF	10.106	6.8818	7.3541	0.4409	2.2884	20.3004	0.0223	115.122	1.2298
		3+: HF	9.43141	6.39535	7.7419	0.383349	2.15343	15.1908	0.016865	63.969	0.656565
		5+: HF	15.6887	0.679003	8.14208	5.40135	2.03081	9.97278	-9.576	0.940464	1.7143
24	Cr	0: RHF	10.6406	6.1038	7.3537	0.392	3.324	20.2626	1.4922	98.7399	1.1832
		2+: HF	9.54034	5.66078	7.7509	0.344261	3.58274	13.3075	0.509107	32.4224	0.616898
		3+: HF	9.6809	5.59463	7.81136	0.334393	2.87603	12.8288	0.113575	32.8761	0.518275
25	Mn	0: RHF	11.2819	5.3409	7.3573	0.3432	3.0193	17.8674	2.2441	83.7543	1.0896
		2+: RHF	10.8061	5.2796	7.362	0.3435	3.5268	14.343	0.2184	41.3235	1.0874
		3+: HF	9.84521	4.91797	7.87194	0.294393	3.56531	10.8171	0.323613	24.1281	0.393974
		4+: HF	9.96253	4.8485	7.97057	0.283303	2.76067	10.4852	0.054447	27.573	0.251877
26	Fe	0: RHF	11.7695	4.7611	7.3573	0.3072	3.5222	15.3535	2.3045	76.8805	1.0369
		2+: RHF	11.0424	4.6538	7.374	0.3053	4.1346	12.0546	0.4399	31.2809	1.0097
		3+: RHF	11.1764	4.6147	7.3863	0.3005	3.3948	11.6729	0.0724	38.5566	0.9707
27	Co	0: RHF	12.2841	4.2791	7.3409	0.2784	4.0034	13.5359	2.3488	71.1692	1.0118
		2+: RHF	11.2296	4.1231	7.3883	0.2726	4.7393	10.2443	0.7108	25.6466	0.9324
		3+: HF	10.338	3.90969	7.88173	0.238668	4.76795	8.35583	0.725591	18.3491	0.286667
28	Ni	0: RHF	12.8376	3.8785	7.292	0.2565	4.4438	12.1763	2.38	66.3421	1.0341
		2+: RHF	11.4166	3.6766	7.4005	0.2449	5.3442	8.873	0.9773	22.1626	0.8614
		3+: HF	10.7806	3.5477	7.75868	0.22314	5.22746	7.64468	0.847114	16.9673	0.386044
29	Cu	0: RHF	13.338	3.5828	7.1676	0.247	5.6158	11.3966	1.6735	64.8126	1.191
		1+: RHF	11.9475	3.3669	7.3573	0.2274	6.2455	8.6625	1.5578	25.8487	0.89
		2+: HF	11.8168	3.37484	7.11181	0.244078	5.78135	7.9876	1.14523	19.897	1.14431
30	Zn	0: RHF	14.0743	3.2655	7.0318	0.2333	5.1652	10.3163	2.41	58.7097	1.3041
30	Zn	2+: RHF	11.9719	2.9946	7.3862	0.2031	6.4668	7.0826	1.394	18.0995	0.7807
31	Ga	0: RHF	15.2354	3.0669	6.7006	0.2412	4.3591	10.7805	2.9623	61.4135	1.7189
31	Ga	3+: HF	12.692	2.81262	6.69883	0.22789	6.06692	6.36441	1.0066	14.4122	1.53545
32	Ge	0: RHF	16.0816	2.8509	6.3747	0.2516	3.7068	11.4468	3.683	54.7625	2.1313
32	Ge	4+: HF	12.9172	2.53718	6.70003	0.205855	6.06791	5.47913	0.859041	11.603	1.45572
33	As	0: RHF	16.6723	2.6345	6.0701	0.2647	3.4313	12.9479	4.2779	47.7972	2.531
34	Se	0: RHF	17.0006	2.4098	5.8196	0.2726	3.9731	15.2372	4.3543	43.8163	2.8409
35	Br	0: RHF	17.1789	2.1723	5.2358	16.5796	5.6377	0.2609	3.9851	41.4328	2.9557
35	Br	1-: RHF	17.1718	2.2059	6.3338	19.3345	5.5754	0.2871	3.7272	58.1535	3.1776
36	Kr	0: RHF	17.3555	1.9384	6.7286	16.5623	5.5493	0.2261	3.5375	39.3972	2.825
37	Rb	0: RHF	17.1784	1.7888	9.6435	17.3151	5.1399	0.2748	1.5292	164.934	3.4873
37	Rb	1+: RHF	17.5816	1.7139	7.6598	14.7957	5.8981	0.1603	2.7817	31.2087	2.0782
38	Sr	0: RHF	17.5663	1.5564	9.8184	14.0988	5.422	0.1664	2.6694	132.376	2.5064
38	Sr	2+: RHF	18.0874	1.4907	8.1373	12.6963	2.5654	24.5651	-34.193	-0.0138	41.4025
39	Y	0: *RHF	17.776	1.4029	10.2946	12.8006	5.72629	0.125599	3.26588	104.354	1.91213
39	Y	3+: *DS	17.9268	1.35417	9.1531	11.2145	1.76795	22.6599	-33.108	-0.01319	40.2602
40	Zr	0: *RHF	17.8765	1.27618	10.948	11.916	5.41732	0.117622	3.65721	87.6627	2.06929
40	Zr	4+: *DS	18.1668	1.2148	10.0562	10.1483	1.01118	21.6054	-2.6479	-0.10276	9.41454
41	Nb	0: *RHF	17.6142	1.18865	12.0144	11.766	4.04183	0.204785	3.53346	69.7957	3.75591
		3+: *DS	19.8812	0.019175	18.0653	1.13305	11.0177	10.1621	1.94715	28.3389	-12.912
		5+: *DS	17.9163	1.12446	13.3417	0.028781	10.799	9.28206	0.337905	25.7228	-6.3934
42	Mo	0: RHF	3.7025	0.2772	17.2356	1.0958	12.8876	11.004	3.7429	61.6584	4.3875
		3+: *DS	21.1664	0.014734	18.2017	1.03031	11.7423	9.53659	2.30951	26.6307	-14.421
		5+: *DS	21.0149	0.014345	18.0992	1.02238	11.4632	8.78809	0.740625	23.3452	-14.316
		6+: *DS	17.8871	1.03649	11.175	8.48061	6.57891	0.058881	0	0	0.344941
43	Tc	0: *RHF	19.1301	0.864132	11.0948	8.14487	4.64901	21.5707	2.71263	86.8472	5.40428
44	Ru	0: *RHF	19.2674	0.80852	12.9182	8.43467	4.86337	24.7997	1.56756	94.2928	5.37874
		3+: *DS	18.5638	0.847329	13.2885	8.37164	9.32602	0.017662	3.00964	22.887	-3.1892
		4+: *DS	18.5003	0.844582	13.1787	8.12534	4.71304	0.36495	2.18535	20.8504	1.42357
45	Rh	0: *RHF	19.2957	0.751536	14.3501	8.21758	4.73425	25.8749	1.28918	98.6062	5.328
		3+: *DS	18.8785	0.764252	14.1259	7.84438	3.32515	21.2487	-6.1989	-0.01036	11.8678
		4+: *DS	18.8545	0.760825	13.9806	7.62436	2.53464	19.3317	-5.6526	-0.0102	11.2835
46	Pd	0: *RHF	19.3319	0.698655	15.5017	7.98929	5.29537	25.2052	0.605844	76.8986	5.26593
		2+: *DS	19.1701	0.696219	15.2096	7.55573	4.32234	22.5057	0	0	5.2916
		4+: *DS	19.2493	0.683839	14.79	7.14833	2.89289	17.9144	-7.9492	0.005127	13.0174
47	Ag	0: RHF	19.2808	0.6446	16.6885	7.4726	4.8045	24.6605	1.0463	99.8156	5.179
		1+: *DS	19.1812	0.646179	15.9719	7.19123	5.27475	21.7326	0.357534	66.1147	5.21572
		2+: *DS	19.1643	0.645643	16.2456	7.18544	4.3709	21.4072	0	0	5.21404
48	Cd	0: RHF	19.2214	0.5946	17.6444	6.9089	4.461	24.7008	1.6029	87.4825	5.0694
48	Cd	2+: *DS	19.1514	0.597922	17.2535	6.80639	4.47128	20.2521	0	0	5.11937
49	In	0: RHF	19.1624	0.5476	18.5596	6.3776	4.2948	25.8499	2.0396	92.8029	4.9391
49	In	3+: *DS	19.1045	0.551522	18.1108	6.3247	3.78897	17.3595	0	0	4.99635
50	Sn	0: RHF	19.1889	5.8303	19.1005	0.5031	4.4585	26.8909	2.4663	83.9571	4.7821
		2+: RHF	19.1094	0.5036	19.0548	5.8378	4.5648	23.3752	0.487	62.2061	4.7861
		4+: RHF	18.9333	5.764	19.7131	0.4655	3.4182	14.0049	0.0193	-0.7583	3.9182
51	Sb	0: RHF	19.6418	5.3034	19.0455	0.4607	5.0371	27.9074	2.6827	75.2825	4.5909
		3+: *DS	18.9755	0.467196	18.933	5.22126	5.10789	19.5902	0.288753	55.5113	4.69626
		5+: *DS	19.8685	5.44853	19.0302	0.467973	2.41253	14.1259	0	0	4.69263
52	Te	0: *RHF	19.9644	4.81742	19.0138	0.420885	6.14487	28.5284	2.5239	70.8403	4.352
53	I	0: RHF	20.1472	4.347	18.9949	0.3814	7.5138	27.766	2.2735	66.8776	4.0712
53	I	1-: RHF	20.2332	4.3579	18.997	0.3815	7.8069	29.5259	2.8868	84.9304	4.0714
54	Xe	0: RHF	20.2933	3.9282	19.0298	0.344	8.9767	26.4659	1.99	64.2658	3.7118
55	Cs	0: RHF	20.3892	3.569	19.1062	0.3107	10.662	24.3879	1.4953	213.904	3.3352
55	Cs	1+: RHF	20.3524	3.552	19.1278	0.3086	10.2821	23.7128	0.9615	59.4565	3.2791
56	Ba	0: RHF	20.3361	3.216	19.297	0.2756	10.888	20.2073	2.6959	167.202	2.7731
56	Ba	2+: *DS	20.1807	3.21367	19.1136	0.28331	10.9054	20.0558	0.77634	51.746	3.02902
57	La	0: *RHF	20.578	2.94817	19.599	0.244475	11.3727	18.7726	3.28719	133.124	2.14678
57	La	3+: *DS	20.2489	2.9207	19.3763	0.250698	11.6323	17.8211	0.336048	54.9453	2.4086
58	Ce	0: *RHF	21.1671	2.81219	19.7695	0.226836	11.8513	17.6083	3.33049	127.113	1.86264
		3+: *DS	20.8036	2.77691	19.559	0.23154	11.9369	16.5408	0.612376	43.1692	2.09013
		4+: *DS	20.3235	2.65941	19.8186	0.21885	12.1233	15.7992	0.144583	62.2355	1.5918
59	Pr	0: *RHF	22.044	2.77393	19.6697	0.222087	12.3856	16.7669	2.82428	143.644	2.0583
		3+: *DS	21.3727	2.6452	19.7491	0.214299	12.1329	15.323	0.97518	36.4065	1.77132
		4+: *DS	20.9413	2.54467	20.0539	0.202481	12.4668	14.8137	0.296689	45.4643	1.24285
60	Nd	0: *RHF	22.6845	2.66248	19.6847	0.210628	12.774	15.885	2.85137	137.903	1.98486
60	Nd	3+: *DS	21.961	2.52722	19.9339	0.199237	12.12	14.1783	1.51031	30.8717	1.47588
61	Pm	0: *RHF	23.3405	2.5627	19.6095	0.202088	13.1235	15.1009	2.87516	132.721	2.02876
61	Pm	3+: *DS	22.5527	2.4174	20.1108	0.185769	12.0671	13.1275	2.07492	27.4491	1.19499
62	Sm	0: *RHF	24.0042	2.47274	19.4258	0.196451	13.4396	14.3996	2.89604	128.007	2.20963
62	Sm	3+: *DS	23.1504	2.31641	20.2599	0.174081	11.9202	12.1571	2.71488	24.8242	0.954586
63	Eu	0: RHF	24.6274	2.3879	19.0886	0.1942	13.7603	13.7546	2.9227	123.174	2.5745
		2+: *DS	24.0063	2.27783	19.9504	0.17353	11.8034	11.6096	3.87243	26.5156	1.36389
		3+: *DS	23.7497	2.22258	20.3745	0.16394	11.8509	11.311	3.26503	22.9966	0.759344
64	Gd	0: *RHF	25.0709	2.25341	19.0798	0.181951	13.8518	12.9331	3.54545	101.398	2.4196
64	Gd	3+: *DS	24.3466	2.13553	20.4208	0.155525	11.8708	10.5782	3.7149	21.7029	0.645089
65	Tb	0: *RHF	25.8976	2.24256	18.2185	0.196143	14.3167	12.6648	2.95354	115.362	3.58324
65	Tb	3+: *DS	24.9559	2.05601	20.3271	0.149525	12.2471	10.0499	3.773	21.2773	0.691967
66	Dy	0: *RHF	26.507	2.1802	17.6383	0.202172	14.5596	12.1899	2.96577	111.874	4.29728
66	Dy	3+: *DS	25.5395	1.9804	20.2861	0.143384	11.9812	9.34972	4.50073	19.581	0.68969
67	Ho	0: *RHF	26.9049	2.07051	17.294	0.19794	14.5583	11.4407	3.63837	92.6566	4.56796
67	Ho	3+: *DS	26.1296	1.91072	20.0994	0.139358	11.9788	8.80018	4.93676	18.5908	0.852795
68	Er	0: *RHF	27.6563	2.07356	16.4285	0.223545	14.9779	11.3604	2.98233	105.703	5.92046
68	Er	3+: *DS	26.722	1.84659	19.7748	0.13729	12.1506	8.36225	5.17379	17.8974	1.17613
69	Tm	0: *RHF	28.1819	2.02859	15.8851	0.238849	15.1542	10.9975	2.98706	102.961	6.75621
69	Tm	3+: *DS	27.3083	1.78711	19.332	0.136974	12.3339	7.96778	5.38348	17.2922	1.63929
70	Yb	0: *RHF	28.6641	1.9889	15.4345	0.257119	15.3087	10.6647	2.98963	100.417	7.56672
		2+: *DS	28.1209	1.78503	17.6817	0.15997	13.3335	8.18304	5.14657	20.39	3.70983
		3+: *DS	27.8917	1.73272	18.7614	0.13879	12.6072	7.64412	5.47647	16.8153	2.26001
71	Lu	0: *RHF	28.9476	1.90182	15.2208	9.98519	15.1	0.261033	3.71601	84.3298	7.97628
71	Lu	3+: *DS	28.4628	1.68216	18.121	0.142292	12.8429	7.33727	5.59415	16.3535	2.97573
72	Hf	0: *RHF	29.144	1.83262	15.1726	9.5999	14.7586	0.275116	4.30013	72.029	8.58154
72	Hf	4+: *DS	28.8131	1.59136	18.4601	0.128903	12.7285	6.76232	5.59927	14.0366	2.39699
73	Ta	0: *RHF	29.2024	1.77333	15.2293	9.37046	14.5135	0.295977	4.76492	63.3644	9.24354
73	Ta	5+: *DS	29.1587	1.50711	18.8407	0.116741	12.8268	6.31524	5.38695	12.4244	1.78555
74	W	0: *RHF	29.0818	1.72029	15.43	9.2259	14.4327	0.321703	5.11982	57.056	9.8875
74	W	6+: *DS	29.4936	1.42755	19.3763	0.104621	13.0544	5.93667	5.06412	11.1972	1.01074
75	Re	0: *RHF	28.7621	1.67191	15.7189	9.09227	14.5564	0.3505	5.44174	52.0861	10.472
76	Os	0: *RHF	28.1894	1.62903	16.155	8.97948	14.9305	0.382661	5.67589	48.1647	11.0005
76	Os	4+: *DS	30.419	1.37113	15.2637	6.84706	14.7458	0.165191	5.06795	18.003	6.49804
77	Ir	0: *RHF	27.3049	1.59279	16.7296	8.86553	15.6115	0.417916	5.83377	45.0011	11.4722
		3+: *DS	30.4156	1.34323	15.862	7.10909	13.6145	0.204633	5.82008	20.3254	8.27903
		4+: *DS	30.7058	1.30923	15.5512	6.71983	14.2326	0.167252	5.53672	17.4911	6.96824
78	Pt	0: *RHF	27.0059	1.51293	17.7639	8.81174	15.7131	0.424593	5.7837	38.6103	11.6883
		2+: *DS	29.8429	1.32927	16.7224	7.38979	13.2153	0.263297	6.35234	22.9426	9.85329
		4+: *DS	30.9612	1.24813	15.9829	6.60834	13.7348	0.16864	5.92034	16.9392	7.39534
79	Au	0: RHF	16.8819	0.4611	18.5913	8.6216	25.5582	1.4826	5.86	36.3956	12.0658
		1+: *DS	28.0109	1.35321	17.8204	7.7395	14.3359	0.356752	6.58077	26.4043	11.2299
		3+: *DS	30.6886	1.2199	16.9029	6.82872	12.7801	0.212867	6.52354	18.659	9.0968
80	Hg	0: RHF	20.6809	0.545	19.0417	8.4484	21.6575	1.5729	5.9676	38.3246	12.6089
		1+: *DS	25.0853	1.39507	18.4973	7.65105	16.8883	0.443378	6.48216	28.2262	12.0205
		2+: *DS	29.5641	1.21152	18.06	7.05639	12.8374	0.284738	6.89912	20.7482	10.6268
81	Tl	0: *RHF	27.5446	0.65515	19.1584	8.70751	15.538	1.96347	5.52593	45.8149	13.1746
		1+: *DS	21.3985	1.4711	20.4723	0.517394	18.7478	7.43463	6.82847	28.8482	12.5258
		3+: *DS	30.8695	1.1008	18.3481	6.53852	11.9328	0.219074	7.00574	17.2114	9.8027
82	Pb	0: RHF	31.0617	0.6902	13.0637	2.3576	18.442	8.618	5.9696	47.2579	13.4118
		2+: *DS	21.7886	1.3366	19.5682	0.488383	19.1406	6.7727	7.01107	23.8132	12.4734
		4+: *DS	32.1244	1.00566	18.8003	6.10926	12.0175	0.147041	6.96886	14.714	8.08428
83	Bi	0: RHF	33.3689	0.704	12.951	2.9238	16.5877	8.7937	6.4692	48.0093	13.5782
		3+: *DS	21.8053	1.2356	19.5026	6.24149	19.1053	0.469999	7.10295	20.3185	12.4711
		5+: *DS	33.5364	0.91654	25.0946	0.39042	19.2497	5.71414	6.91555	12.8285	-6.7994
84	Po	0: *RHF	34.6726	0.700999	15.4733	3.55078	13.1138	9.55642	7.02588	47.0045	13.677
85	At	0: *RHF	35.3163	0.68587	19.0211	3.97458	9.49887	11.3824	7.42518	45.4715	13.7108
86	Rn	0: RHF	35.5631	0.6631	21.2816	4.0691	8.0037	14.0422	7.4433	44.2473	13.6905
87	Fr	0: *RHF	35.9299	0.646453	23.0547	4.17619	12.1439	23.1052	2.11253	150.645	13.7247
88	Ra	0: *RHF	35.763	0.616341	22.9064	3.87135	12.4739	19.9887	3.21097	142.325	13.6211
88	Ra	2+: *DS	35.215	0.604909	21.67	3.5767	7.91342	12.601	7.65078	29.8436	13.5431
89	Ac	0: *RHF	35.6597	0.589092	23.1032	3.65155	12.5977	18.599	4.08655	117.02	13.5266
89	Ac	3+: *DS	35.1736	0.579689	22.1112	3.41437	8.19216	12.9187	7.05545	25.9443	13.4637
90	Th	0: *RHF	35.5645	0.563359	23.4219	3.46204	12.7473	17.8309	4.80703	99.1722	13.4314
90	Th	4+: *DS	35.1007	0.555054	22.4418	3.24498	9.78554	13.4661	5.29444	23.9533	13.376
91	Pa	0: *RHF	35.8847	0.547751	23.2948	3.41519	14.1891	16.9235	4.17287	105.251	13.4287
92	U	0: RHF	36.0228	0.5293	23.4128	3.3253	14.9491	16.0927	4.188	100.613	13.3966
		3+: *DS	35.5747	0.52048	22.5259	3.12293	12.2165	12.7148	5.37073	26.3394	13.3092
		4+: *DS	35.3715	0.516598	22.5326	3.05053	12.0291	12.5723	4.7984	23.4582	13.2671
		6+: *DS	34.8509	0.507079	22.7584	2.8903	14.0099	13.1767	1.21457	25.2017	13.1665
93	Np	0: *RHF	36.1874	0.511929	23.5964	3.25396	15.6402	15.3622	4.1855	97.4908	13.3573
		3+: *DS	35.7074	0.502322	22.613	3.03807	12.9898	12.1449	5.43227	25.4928	13.2544
		4+: *DS	35.5103	0.498626	22.5787	2.96627	12.7766	11.9484	4.92159	22.7502	13.2116
		6+: *DS	35.0136	0.48981	22.7286	2.81099	14.3884	12.33	1.75669	22.6581	13.113
94	Pu	0: *RHF	36.5254	0.499384	23.8083	3.26371	16.7707	14.9455	3.47947	105.98	13.3812
		3+: *DS	35.84	0.484938	22.7169	2.96118	13.5807	11.5331	5.66016	24.3992	13.1991
		4+: *DS	35.6493	0.481422	22.646	2.8902	13.3595	11.316	5.18831	21.8301	13.1555
		6+: *DS	35.1736	0.473204	22.7181	2.73848	14.7635	11.553	2.28678	20.9303	13.0582
95	Am	0: *RHF	36.6706	0.483629	24.0992	3.20647	17.3415	14.3136	3.49331	102.273	13.3592
96	Cm	0: *RHF	36.6488	0.465154	24.4096	3.08997	17.399	13.4346	4.21665	88.4834	13.2887
97	Bk	0: *RHF	36.7881	0.451018	24.7736	3.04619	17.8919	12.8946	4.23284	86.003	13.2754
98	Cf	0: *RHF	36.9185	0.437533	25.1995	3.00775	18.3317	12.4044	4.24391	83.7881	13.2674
Z	Sym-bol	Note	(a_1)	(b_1)	(a_2)	(b_2)	(a_3)	(b_3)	(a_4)	(b_4)	(c)