- Na2Mg(SO4)2(H2O)10 - Na₂Mg(SO₄)₂(H₂O)₁₀

Crystal Structure

Because of the translational symmetry all the calculations are performed in the primitive unit cell and not in the conventional unit cell. The following information regarding the structure is given with respect to this primitive unit cell, which sometimes can take an unintuitive shape.

Symmetry (experimental):

Space group:	14		P12_1/c1
Lattice parameters (Å):	12.4950	6.4978		9.9943
Angles (°):	90.0	106.3620		90.0

Symmetry (theoretical):

Space group:	14		P12_1/c1
Lattice parameters (Å):	12.6826	6.4376		9.9848
Angles (°):	90.0	107.24		90.0

Cell contents:

Number of atoms:	86
Number of atom types:	5
Chemical composition:	0

Atomic positions (theoretical):

Mg:	0.5000	0.0000	0.5000
Na:	0.9875	0.2596	0.4061
S:	0.7754	0.4835	0.6617
O:	0.8016	0.2617	0.6944
O:	0.7079	0.5627	0.7502
O:	0.8772	0.6064	0.6936
O:	0.7126	0.5034	0.5103
O:	0.8927	0.5892	0.3937
H:	0.8236	0.5727	0.4181
H:	0.8799	0.6928	0.3174
O:	0.8851	0.0436	0.5146
H:	0.8537	0.1205	0.5799
H:	0.8218	0.9889	0.4409
O:	0.4143	0.8311	0.6218
H:	0.3666	0.9182	0.6630
H:	0.3694	0.7091	0.5769
O:	0.5301	0.7436	0.4024
H:	0.4977	0.7198	0.3005
H:	0.5966	0.6557	0.4391
O:	0.6413	0.9598	0.6614
H:	0.6691	0.8211	0.6992
H:	0.7030	0.0607	0.6806
Mg:	0.5000	0.5000	0.0000
Na:	0.0125	0.7596	0.0939
S:	0.2246	0.9835	0.8383
O:	0.1984	0.7617	0.8056
O:	0.2921	0.0627	0.7498
O:	0.1228	0.1064	0.8064
O:	0.2874	0.0034	0.9897
O:	0.1073	0.0892	0.1063
H:	0.1764	0.0727	0.0819
H:	0.1201	0.1928	0.1826
O:	0.1149	0.5436	0.9854
H:	0.1463	0.6205	0.9201
H:	0.1782	0.4889	0.0591
O:	0.5857	0.3311	0.8782
H:	0.6334	0.4182	0.8370
H:	0.6306	0.2091	0.9231
O:	0.4699	0.2436	0.0976
H:	0.5023	0.2198	0.1995
H:	0.4034	0.1557	0.0609
O:	0.3587	0.4598	0.8386
H:	0.3309	0.3211	0.8008
H:	0.2970	0.5607	0.8194
Na:	0.0125	0.7404	0.5939
S:	0.2246	0.5165	0.3383
O:	0.1984	0.7383	0.3056
O:	0.2921	0.4373	0.2498
O:	0.1228	0.3936	0.3064
O:	0.2874	0.4966	0.4897
O:	0.1073	0.4108	0.6063
H:	0.1764	0.4273	0.5819
H:	0.1201	0.3072	0.6826
O:	0.1149	0.9564	0.4854
H:	0.1463	0.8795	0.4201
H:	0.1782	0.0111	0.5591
O:	0.5857	0.1689	0.3782
H:	0.6334	0.0818	0.3370
H:	0.6306	0.2909	0.4231
O:	0.4699	0.2564	0.5976
H:	0.5023	0.2802	0.6995
H:	0.4034	0.3443	0.5609
O:	0.3587	0.0402	0.3386
H:	0.3309	0.1789	0.3008
H:	0.2970	0.9393	0.3194
Na:	0.9875	0.2404	0.9061
S:	0.7754	0.0165	0.1617
O:	0.8016	0.2383	0.1944
O:	0.7079	0.9373	0.2502
O:	0.8772	0.8936	0.1936
O:	0.7126	0.9966	0.0103
O:	0.8927	0.9108	0.8937
H:	0.8236	0.9273	0.9181
H:	0.8799	0.8072	0.8174
O:	0.8851	0.4564	0.0146
H:	0.8537	0.3795	0.0799
H:	0.8218	0.5111	0.9409
O:	0.4143	0.6689	0.1218
H:	0.3666	0.5818	0.1630
H:	0.3694	0.7909	0.0769
O:	0.5301	0.7564	0.9024
H:	0.4977	0.7802	0.8005
H:	0.5966	0.8443	0.9391
O:	0.6413	0.5402	0.1614
H:	0.6691	0.6789	0.1992
H:	0.7030	0.4393	0.1806

Atom type

We have listed here the reduced coordinates of all the atoms in the primitive unit cell.
It is enough to know only the position of the atoms from the assymetrical unit cell and then use the symmetry to build the whole crystal structure.

Visualization of the crystal structure:

You can define the size of the supercell to be displayed in the jmol panel as integer translations along the three crystallographic axis.
Please note that the structure is represented using the primitive cell, and not the conventional one.

Powder Raman

Powder Raman spectrum

The intensity of the Raman peaks is computed within the density-functional perturbation theory. The intensity depends on the temperature (for now fixed at 300K), frequency of the input laser (for now fixed at 21834 cm^-1, frequency of the phonon mode and the Raman tensor. The Raman tensor represents the derivative of the dielectric tensor during the atomic displacement that corresponds to the phonon vibration. The Raman tensor is related to the polarizability of a specific phonon mode.

Choose the polarization of the lasers.

I ∥

I ⊥

I Total

Horizontal:

Xmin:
Xmax:

Vertical:

Ymin:
Ymax:

Data about the phonon modes

Frequency of the transverse (TO) and longitudinal (LO) phonon modes in the zone-center. The longitudinal modes are computed along the three cartesian directions. You can visualize the atomic displacement pattern corresponding to each phonon by clicking on the appropriate cell in the table below.

1	Ac	0	0	0	0
2	Ac	0	0	0	0
3	Ac	0	0	0	0
4	Au	65	65	66	65
5	Bg	67	67	67	67	9.651e+37 0.1	1.511e+38 0.2	2.476e+38 0.4
6	Ag	68	68	68	68	2.357e+38 0.4	6.474e+37 0.1	3.005e+38 0.5
7	Bu	69	69	69	69
8	Au	72	72	72	72
9	Bu	73	73	73	73
10	Bu	80	80	80	81
11	Ag	82	82	82	82	3.130e+38 0.5	1.698e+38 0.3	4.828e+38 0.7
12	Bg	82	82	82	82	1.404e+38 0.2	2.262e+38 0.3	3.666e+38 0.6
13	Au	83	83	83	83
14	Au	92	92	92	92
15	Ag	92	92	92	92	5.202e+38 0.8	4.096e+38 0.6	9.298e+38 1.4
16	Bg	94	94	94	94	1.500e+38 0.2	2.063e+38 0.3	3.563e+38 0.5
17	Bg	97	97	97	97	4.637e+37 0.1	7.620e+37 0.1	1.226e+38 0.2
18	Bu	100	101	100	100
19	Ag	101	101	101	101	1.111e+39 1.7	2.804e+38 0.4	1.392e+39 2.1
20	Au	104	104	104	104
21	Bu	105	107	105	105
22	Bg	107	108	107	107	7.103e+38 1.1	1.095e+39 1.7	1.805e+39 2.8
23	Au	108	108	109	108
24	Ag	112	112	112	112	1.247e+39 1.9	1.491e+39 2.3	2.738e+39 4.2
25	Ag	114	114	114	114	3.118e+38 0.5	2.636e+38 0.4	5.754e+38 0.9
26	Bg	116	116	116	116	3.975e+38 0.6	5.210e+38 0.8	9.184e+38 1.4
27	Bu	117	117	117	119
28	Ag	123	123	123	123	7.140e+38 1.1	1.657e+38 0.3	8.797e+38 1.4
29	Bg	124	124	124	124	7.306e+36 0.0	1.005e+37 0.0	1.735e+37 0.0
30	Au	124	124	124	124
31	Bu	125	125	125	125
32	Ag	125	125	125	127	4.062e+38 0.6	3.244e+38 0.5	7.306e+38 1.1
33	Au	127	127	128	127
34	Bu	129	131	129	129
35	Au	132	132	133	132
36	Bg	134	134	134	134	1.638e+38 0.3	2.731e+38 0.4	4.369e+38 0.7
37	Ag	135	135	135	135	5.349e+38 0.8	3.075e+38 0.5	8.424e+38 1.3
38	Bg	136	136	136	136	7.091e+36 0.0	7.535e+36 0.0	1.463e+37 0.0
39	Ag	136	136	136	136	1.022e+39 1.6	1.070e+39 1.6	2.092e+39 3.2
40	Ag	141	141	141	141	4.831e+38 0.7	3.549e+38 0.5	8.379e+38 1.3
41	Ag	143	143	143	143	2.641e+38 0.4	1.874e+38 0.3	4.516e+38 0.7
42	Au	144	144	144	144
43	Bu	144	145	146	146
44	Bg	146	146	147	147	2.180e+37 0.0	2.998e+37 0.0	5.178e+37 0.1
45	Bu	148	148	148	148
46	Au	148	149	151	149
47	Bg	151	151	153	151	2.134e+38 0.3	2.412e+38 0.4	4.546e+38 0.7
48	Au	153	153	155	153
49	Bu	155	157	158	155
50	Ag	160	160	160	160	3.809e+38 0.6	3.059e+38 0.5	6.868e+38 1.1
51	Bg	164	164	164	164	5.155e+37 0.1	8.503e+37 0.1	1.366e+38 0.2
52	Au	166	166	167	166
53	Bu	167	171	167	167
54	Bg	171	174	171	171	1.574e+38 0.2	1.694e+38 0.3	3.268e+38 0.5
55	Bg	174	174	174	174	4.157e+38 0.6	6.130e+38 0.9	1.029e+39 1.6
56	Au	175	175	176	175
57	Ag	176	176	176	176	4.693e+38 0.7	1.800e+38 0.3	6.492e+38 1.0
58	Bu	177	177	177	177
59	Au	177	177	184	178
60	Ag	184	184	184	184	2.541e+38 0.4	1.543e+38 0.2	4.084e+38 0.6
61	Bu	185	188	185	188
62	Au	188	193	191	191
63	Au	193	193	193	193
64	Bg	193	199	195	193	2.203e+37 0.0	2.594e+37 0.0	4.796e+37 0.1
65	Bu	202	205	202	207
66	Ag	207	207	207	207	5.088e+38 0.8	2.106e+38 0.3	7.194e+38 1.1
67	Bg	208	208	208	208	4.121e+38 0.6	6.938e+38 1.1	1.106e+39 1.7
68	Bg	211	211	211	211	4.407e+37 0.1	7.278e+37 0.1	1.169e+38 0.2
69	Bu	213	213	213	217
70	Ag	217	217	217	217	2.745e+38 0.4	1.248e+38 0.2	3.993e+38 0.6
71	Au	217	217	218	219
72	Bu	219	219	219	220
73	Au	224	224	226	224
74	Ag	230	230	230	230	1.193e+39 1.8	6.061e+38 0.9	1.799e+39 2.8
75	Bg	230	230	230	230	1.192e+39 1.8	8.294e+38 1.3	2.021e+39 3.1
76	Bu	231	231	231	231
77	Bu	233	235	233	235
78	Ag	235	240	235	240	4.361e+38 0.7	3.577e+38 0.5	7.938e+38 1.2
79	Au	240	240	240	240
80	Bg	240	241	240	242	8.168e+38 1.3	9.897e+38 1.5	1.806e+39 2.8
81	Bg	246	246	246	246	2.769e+38 0.4	3.022e+38 0.5	5.791e+38 0.9
82	Bu	247	247	247	248
83	Au	248	248	249	249
84	Ag	249	249	250	250	6.443e+38 1.0	2.571e+38 0.4	9.013e+38 1.4
85	Au	251	251	252	251
86	Bu	252	253	253	253
87	Ag	257	257	257	257	5.437e+38 0.8	6.935e+38 1.1	1.237e+39 1.9
88	Bg	265	265	265	265	9.793e+37 0.2	1.448e+38 0.2	2.427e+38 0.4
89	Bu	266	271	266	266
90	Au	272	272	274	272
91	Bg	274	274	277	274	4.122e+38 0.6	4.930e+38 0.8	9.052e+38 1.4
92	Ag	277	277	281	277	6.760e+38 1.0	2.731e+37 0.0	7.034e+38 1.1
93	Ag	328	328	328	328	1.824e+38 0.3	1.235e+38 0.2	3.059e+38 0.5
94	Bg	328	328	328	328	1.430e+38 0.2	1.552e+38 0.2	2.982e+38 0.5
95	Bu	337	338	337	339
96	Au	339	339	341	339
97	Bg	367	367	367	367	1.395e+37 0.0	1.600e+37 0.0	2.995e+37 0.0
98	Ag	375	375	375	375	1.987e+39 3.1	2.011e+38 0.3	2.188e+39 3.4
99	Au	420	420	420	420
100	Bu	423	423	423	423
101	Bg	423	423	423	423	2.107e+39 3.2	3.019e+39 4.6	5.127e+39 7.9
102	Ag	425	425	425	425	2.295e+39 3.5	2.679e+39 4.1	4.974e+39 7.6
103	Bu	441	441	441	441
104	Ag	442	442	442	442	1.606e+39 2.5	1.311e+39 2.0	2.917e+39 4.5
105	Au	443	443	443	443
106	Bu	448	449	448	450
107	Bg	451	451	451	451	4.312e+39 6.6	6.256e+39 9.6	1.057e+40 16.2
108	Au	454	454	454	454
109	Bu	482	482	482	484
110	Au	485	485	488	485
111	Bg	508	508	508	508	1.172e+38 0.2	1.663e+38 0.3	2.834e+38 0.4
112	Au	510	510	520	510
113	Bu	520	520	522	520
114	Ag	522	522	523	522	3.096e+39 4.8	2.212e+39 3.4	5.308e+39 8.2
115	Au	559	559	560	559
116	Bg	560	560	561	560	7.003e+38 1.1	7.484e+38 1.1	1.449e+39 2.2
117	Ag	565	565	565	565	2.676e+39 4.1	3.000e+39 4.6	5.676e+39 8.7
118	Bu	570	572	570	575
119	Au	575	575	575	576	8.509e+36 0.0	1.417e+37 0.0	2.268e+37 0.0
120	Bg	576	576	578	577	6.772e+38 1.0	1.128e+39 1.7	1.805e+39 2.8
121	Bu	578	583	578	583
122	Ag	583	584	583	585	2.073e+39 3.2	1.806e+39 2.8	3.879e+39 6.0
123	Ag	586	586	586	586	2.320e+39 3.6	1.925e+39 3.0	4.246e+39 6.5
124	Bu	587	587	587	587
125	Bg	587	590	587	587	9.440e+38 1.5	1.018e+39 1.6	1.962e+39 3.0
126	Au	590	590	603	590
127	Ag	604	604	604	604	1.024e+39 1.6	9.097e+37 0.1	1.115e+39 1.7
128	Bu	605	607	605	605
129	Bg	610	610	610	610	4.501e+38 0.7	5.031e+38 0.8	9.532e+38 1.5
130	Bu	612	615	612	612
131	Bg	617	617	617	617	1.034e+37 0.0	1.421e+37 0.0	2.455e+37 0.0
132	Au	617	617	619	617
133	Ag	627	627	627	627	5.515e+38 0.8	1.977e+38 0.3	7.492e+38 1.2
134	Au	642	642	643	642
135	Ag	644	644	644	644	9.278e+38 1.4	6.990e+38 1.1	1.627e+39 2.5
136	Bu	644	647	644	656
137	Ag	656	656	656	660	1.027e+39 1.6	3.601e+38 0.6	1.387e+39 2.1
138	Bu	660	662	660	662
139	Au	662	666	662	667
140	Bg	667	667	667	675	2.815e+38 0.4	3.501e+38 0.5	6.316e+38 1.0
141	Au	675	675	679	679
142	Ag	679	679	684	679	1.085e+38 0.2	6.020e+37 0.1	1.687e+38 0.3
143	Bg	684	684	685	684	3.891e+38 0.6	6.257e+38 1.0	1.015e+39 1.6
144	Bu	685	685	691	691
145	Bg	691	691	691	694	2.050e+38 0.3	3.176e+38 0.5	5.226e+38 0.8
146	Au	694	694	696	698
147	Au	698	698	700	700
148	Ag	700	700	700	706	1.891e+38 0.3	7.815e+37 0.1	2.673e+38 0.4
149	Bg	711	711	711	711	2.702e+38 0.4	3.443e+38 0.5	6.144e+38 0.9
150	Bu	719	719	719	719
151	Au	719	719	720	720
152	Ag	720	720	724	720	2.147e+38 0.3	1.434e+38 0.2	3.581e+38 0.6
153	Ag	727	727	727	727	2.948e+38 0.5	7.991e+37 0.1	3.747e+38 0.6
154	Bu	735	735	735	736
155	Bg	737	737	737	737	6.810e+36 0.0	1.148e+37 0.0	1.829e+37 0.0
156	Au	739	739	740	739
157	Bu	747	747	747	748
158	Au	748	748	748	748
159	Bg	748	748	752	750	1.413e+38 0.2	1.778e+38 0.3	3.191e+38 0.5
160	Ag	752	752	759	752	2.016e+39 3.1	7.224e+37 0.1	2.088e+39 3.2
161	Bg	772	772	772	772	3.059e+36 0.0	4.206e+36 0.0	7.264e+36 0.0
162	Au	777	777	779	777
163	Bu	779	780	780	780
164	Ag	780	787	780	780	1.210e+39 1.9	1.445e+38 0.2	1.354e+39 2.1
165	Bu	802	804	802	805
166	Bg	807	807	807	807	3.346e+38 0.5	5.620e+38 0.9	8.965e+38 1.4
167	Au	810	810	812	810
168	Bg	812	812	813	812	1.273e+38 0.2	2.119e+38 0.3	3.391e+38 0.5
169	Ag	816	816	816	816	1.049e+39 1.6	2.710e+38 0.4	1.320e+39 2.0
170	Bu	817	818	817	817
171	Bg	823	823	823	823	5.594e+38 0.9	6.702e+38 1.0	1.230e+39 1.9
172	Bu	828	829	828	829
173	Ag	829	830	829	830	1.722e+38 0.3	4.747e+37 0.1	2.197e+38 0.3
174	Au	845	845	855	845
175	Bg	884	884	884	884	4.069e+38 0.6	4.333e+38 0.7	8.402e+38 1.3
176	Bu	889	889	889	893
177	Ag	902	902	902	902	4.437e+39 6.8	1.005e+38 0.2	4.538e+39 7.0
178	Au	916	916	917	916
179	Ag	940	940	940	940	1.067e+40 16.4	2.078e+38 0.3	1.087e+40 16.7
180	Au	940	940	940	940
181	Bg	948	948	948	948	2.477e+37 0.0	3.406e+37 0.1	5.883e+37 0.1
182	Bu	948	949	948	949
183	Ag	952	952	952	952	6.487e+40 99.7	2.245e+38 0.3	6.509e+40 100.0
184	Au	953	953	953	953
185	Bu	959	964	959	964
186	Bg	964	966	964	969	3.355e+38 0.5	5.400e+38 0.8	8.755e+38 1.3
187	Ag	1029	1029	1029	1029	2.629e+39 4.0	3.238e+39 5.0	5.867e+39 9.0
188	Bu	1035	1036	1035	1058
189	Bu	1061	1062	1061	1062
190	Bg	1062	1064	1062	1064	1.155e+38 0.2	1.364e+38 0.2	2.520e+38 0.4
191	Au	1064	1068	1068	1068
192	Bg	1068	1071	1071	1071	2.003e+38 0.3	3.086e+38 0.5	5.089e+38 0.8
193	Ag	1071	1071	1077	1081	4.231e+39 6.5	3.071e+39 4.7	7.302e+39 11.2
194	Au	1081	1081	1093	1088
195	Bg	1131	1131	1131	1131	1.834e+39 2.8	1.949e+39 3.0	3.783e+39 5.8
196	Au	1135	1135	1135	1135
197	Bu	1135	1150	1150	1142
198	Ag	1150	1152	1162	1150	1.946e+39 3.0	1.328e+39 2.0	3.274e+39 5.0
199	Au	1552	1552	1552	1552
200	Bg	1554	1554	1554	1554	1.600e+38 0.2	1.701e+38 0.3	3.301e+38 0.5
201	Bu	1554	1558	1554	1556
202	Ag	1558	1558	1558	1558	2.088e+38 0.3	1.705e+38 0.3	3.793e+38 0.6
203	Ag	1575	1575	1575	1575	3.011e+38 0.5	3.373e+38 0.5	6.384e+38 1.0
204	Au	1578	1578	1578	1578
205	Bu	1579	1581	1579	1579
206	Bg	1581	1584	1581	1581	8.570e+37 0.1	1.418e+38 0.2	2.275e+38 0.3
207	Au	1584	1585	1585	1584
208	Ag	1592	1592	1592	1592	2.145e+38 0.3	1.245e+38 0.2	3.390e+38 0.5
209	Bu	1597	1598	1597	1599
210	Bg	1603	1603	1603	1603	1.403e+38 0.2	2.335e+38 0.4	3.738e+38 0.6
211	Au	1606	1606	1608	1606
212	Bg	1608	1608	1608	1608	5.720e+37 0.1	6.247e+37 0.1	1.197e+38 0.2
213	Bu	1609	1610	1609	1609
214	Ag	1611	1611	1611	1611	4.886e+38 0.8	4.826e+38 0.7	9.712e+38 1.5
215	Bu	1613	1613	1613	1614
216	Ag	1617	1617	1617	1617	1.234e+38 0.2	1.480e+38 0.2	2.714e+38 0.4
217	Au	1618	1618	1618	1618
218	Bg	1618	1618	1618	1618	2.594e+38 0.4	4.111e+38 0.6	6.705e+38 1.0
219	Bg	3112	3112	3112	3112	5.786e+39 8.9	9.759e+39 15.0	1.555e+40 23.9
220	Ag	3115	3115	3115	3115	2.173e+40 33.4	8.855e+39 13.6	3.059e+40 47.0
221	Au	3115	3115	3117	3115
222	Bu	3121	3129	3121	3122
223	Ag	3159	3159	3159	3159	1.308e+40 20.1	5.981e+39 9.2	1.906e+40 29.3
224	Au	3161	3161	3163	3161
225	Bu	3163	3163	3168	3168
226	Bg	3168	3168	3182	3171	1.514e+40 23.3	1.645e+40 25.3	3.159e+40 48.5
227	Bg	3199	3199	3199	3199	5.218e+39 8.0	8.735e+39 13.4	1.395e+40 21.4
228	Au	3203	3203	3204	3203
229	Bu	3206	3211	3206	3206
230	Ag	3211	3213	3211	3211	1.512e+40 23.2	6.261e+39 9.6	2.138e+40 32.9
231	Bu	3224	3224	3224	3224
232	Ag	3224	3225	3224	3225	1.823e+40 28.0	4.211e+38 0.6	1.865e+40 28.6
233	Au	3225	3229	3227	3226
234	Bg	3232	3232	3232	3232	9.037e+39 13.9	1.382e+40 21.2	2.286e+40 35.1
235	Ag	3241	3241	3241	3241	2.151e+40 33.1	1.183e+40 18.2	3.335e+40 51.2
236	Au	3243	3243	3246	3243
237	Bu	3246	3247	3247	3247
238	Bg	3247	3258	3251	3247	9.462e+39 14.5	1.052e+40 16.2	1.998e+40 30.7
239	Ag	3262	3262	3262	3262	3.244e+40 49.8	8.490e+37 0.1	3.252e+40 50.0
240	Bu	3264	3270	3264	3270
241	Au	3271	3271	3276	3271
242	Ag	3276	3276	3280	3276	4.917e+40 75.5	2.991e+39 4.6	5.216e+40 80.1
243	Au	3280	3280	3282	3280
244	Bg	3282	3282	3283	3282	7.125e+38 1.1	1.169e+39 1.8	1.882e+39 2.9
245	Bu	3283	3285	3294	3285
246	Bg	3294	3294	3296	3294	6.804e+39 10.5	9.735e+39 15.0	1.654e+40 25.4
247	Bu	3296	3299	3299	3299
248	Au	3299	3308	3314	3314
249	Ag	3314	3314	3317	3317	5.524e+40 84.9	4.659e+39 7.2	5.990e+40 92.0
250	Bg	3317	3317	3328	3323	1.880e+39 2.9	2.298e+39 3.5	4.178e+39 6.4
251	Bu	3414	3416	3414	3416
252	Ag	3416	3421	3416	3426	2.075e+40 31.9	7.446e+39 11.4	2.820e+40 43.3
253	Au	3426	3426	3426	3426	5.983e+36 0.0	6.974e+36 0.0	1.296e+37 0.0
254	Bg	3426	3426	3430	3428	6.214e+38 1.0	7.244e+38 1.1	1.346e+39 2.1
255	Bu	3479	3479	3479	3481
256	Ag	3481	3481	3481	3488	2.628e+40 40.4	5.197e+39 8.0	3.147e+40 48.4
257	Bg	3488	3488	3488	3490	5.660e+38 0.9	6.266e+38 1.0	1.193e+39 1.8
258	Au	3490	3490	3491	3491

No.

Char.

ω TO

ω LOx

ω LOy

ω LOz

I ∥

I ⊥

I Total

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Nx:
Ny:
Nz:

- Na2Mg(SO4)2(H2O)10 - Na2Mg(SO4)2(H2O)10