data_1000005
# 1. BIBLIOGRAPHY
# Bibliography of the main source.
# Data items are taken from the cif_core.dic
loop_
_publ_author_name
'AitChaou, A'
'Abdelouas, A.'
'El Mendili, Y'
'Bouakkaz, R'
'Utsunomiya, S'
'Martin, C'
'Bourdon, X'
_publ_section_title
;Vapor hydration of a simulated borosilicate nuclear waste glass in unsaturated conditions at 50  C and 90 C
;
_journal_name_full               'RSC Advances'
_journal_page_first              64538
_journal_page_last               64538
_journal_volume                  5
_journal_year                    2015


# 2. ROD DATABASE ENTRY DETAILS
_[local]_database_code_ROD          10000005
_raman_determination_method         experimental

# 3. SAMPLE DETAILS
# Specimen and mounting information.
# Most data items are taken from the cif_core.dic.
# Data items with the _[local] prefix are currently not in the
# cif_core.dic, but they will be proposed to the IUCr
_chemical_formula_structural        'Ca C O3'
_chemical_formula_sum               'Ca C O3'
_chemical_name_mineral              'Calcite'
_chemical_compound_source           'hydration product'
_[local]_chemical_compound_color    'white'
_[local]_chemical_compound_state    'Solid'

# 4. COMPLEMENTARY OBSERVATION
loop_
_raman_complementary.id
_raman_complementary.method
1 'EDX'

# 5. INSTRUMENT CHARACTERIZATION
## 5.1 INSTRUMENT DETAILS
## The following item is used to characterize the equipment used
## to record the Raman spectrum
_raman_measurement_device.location                   'IMMM Maine university'
_raman_measurement_device.company                    'HORIBA Jobin Yvon'
_raman_measurement_device.name                       'T64000'
_raman_measurement_device.optics_type                microscope
_raman_measurement_device.microscope_system          dispersive
_raman_measurement_device.microscope_objective_magnification  100
_raman_measurement_device.microscope_numerical_aperture 0.90
_raman_measurement_device.excitation_laser_type      'Argon-Krypton'
_raman_measurement_device.excitation_laser_wavelength 514                 # in nm
_raman_measurement_device.configuration              simple
_raman_measurement_device.resolution                 2                   # in cm-1
_raman_measurement_device.power_on_sample            2                   # in mW
_raman_measurement_device.direction_polarization     unoriented
_raman_measurement_device.spot_size                  0.8                 # in μmm
_raman_measurement_device.diffraction_grating        600                 # in lines/mm
## 5.2 INSTRUMENT CALIBRATION DETAILS
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 'Silicon_wafer'
2 Diamond

# 6. COD DATABASE ENTRY DETAILS
# Access to COD XRD data analysis
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 2310543 COD http://www.crystallography.net/cod/2310543.html
;
no XRD analysis data.
;
_chemical_name_systematic        'Ca (C O3)'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.991
_cell_length_b                   4.991
_cell_length_c                   16.97

# 7. EXPERIMENTAL DETAILS
_raman_measurement.environment                   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature                   300         # in K
_raman_measurement.pressure                      100         # in kPa
_raman_measurement.background_subtraction        no
_raman_measurement.background_subtraction_details
;
 No background subtraction method was applied.
;
_raman_measurement.baseline_correction         no
_raman_measurement.baseline_correction_details
;
 No baseline correction method was applied.
;
_raman_measurement.integration_time              600         # in s
_raman_measurement.range_min                     91.4668       # in cm-1
_raman_measurement.range_max                     2258.48     # in cm-1

# 8. EXPERIMENTAL DATA
loop_
_raman_spectrum.Raman_shift                  # in cm-1
_raman_spectrum.intensity                    # in a.u.
91.4668	379
96.273	375
101.079	407
105.881	473
110.682	486
115.479	469
120.273	507
125.065	492
129.857	484
134.644	473
139.429	491
144.211	567
148.991	699
153.769	857
158.544	916
163.317	796
168.088	529
172.854	450
177.62	414
182.383	393
187.142	375
191.901	366
196.655	367
201.409	375
206.159	352
210.908	347
215.653	340
220.396	356
225.138	339
229.876	368
234.611	357
239.344	381
244.075	391
248.804	389
253.53	423
258.254	502
262.973	585
267.692	706
272.409	933
277.123	1168
281.833	1440
286.543	1230
291.248	860
295.954	642
300.654	514
305.355	431
310.051	391
314.745	363
319.436	375
324.126	297
328.815	319
333.499	328
338.182	313
342.859	319
347.537	301
352.212	282
356.885	285
361.556	274
366.223	286
370.889	273
375.551	284
380.212	285
384.87	286
389.527	249
394.179	270
398.83	279
403.48	266
408.126	269
412.769	255
417.411	257
422.05	286
426.686	264
431.321	277
435.953	269
440.583	276
445.209	277
449.834	289
454.457	270
459.076	285
463.695	289
468.309	290
472.924	282
477.533	289
482.143	309
486.748	286
491.351	289
495.952	274
500.553	272
505.15	279
509.744	252
514.336	283
518.925	260
523.511	261
528.096	250
532.679	252
537.26	258
541.838	259
546.412	250
550.987	259
555.556	256
560.126	301
564.691	282
569.254	259
573.818	240
578.376	220
582.933	239
587.487	245
592.039	232
596.589	243
601.137	206
605.682	230
610.226	205
614.767	214
619.306	211
623.842	212
628.375	211
632.907	226
637.435	205
641.963	221
646.487	211
651.011	208
655.53	228
660.047	240
664.564	241
669.077	231
673.588	240
678.096	254
682.602	239
687.107	221
691.609	228
696.106	259
700.604	253
705.099	313
709.593	511
714.082	781
718.571	502
723.055	278
727.54	219
732.021	197
736.499	198
740.977	186
745.451	201
749.923	170
754.393	193
758.86	170
763.326	170
767.789	181
772.25	174
776.709	170
781.164	179
785.619	182
790.072	190
794.52	167
798.969	195
803.413	173
807.857	163
812.297	178
816.735	172
821.173	158
825.606	169
830.038	179
834.467	177
838.894	175
843.319	159
847.742	177
852.163	180
856.582	187
860.999	177
865.412	172
869.824	174
874.235	196
878.641	169
883.047	194
887.449	195
891.849	205
896.249	207
900.645	213
905.039	215
909.43	219
913.822	245
918.209	229
922.595	229
926.976	229
931.357	251
935.737	226
940.114	243
944.489	243
948.86	257
953.231	248
957.597	237
961.964	262
966.327	231
970.689	221
975.048	254
979.404	226
983.759	237
988.111	240
992.463	257
996.812	252
1001.16	248
1005.5	260
1009.84	258
1014.18	251
1018.52	252
1022.85	243
1027.19	250
1031.52	239
1035.85	222
1040.17	249
1044.5	230
1048.82	219
1053.14	242
1057.46	266
1061.77	294
1066.09	386
1070.4	468
1074.71	792
1079.02	1854
1083.32	5263
1087.62	8403
1091.92	2502
1096.22	721
1100.52	353
1104.81	262
1109.11	236
1113.4	218
1117.68	227
1121.97	223
1126.25	212
1130.54	181
1134.82	175
1139.09	172
1143.37	174
1147.64	171
1151.91	171
1156.18	156
1160.45	170
1164.71	171
1168.98	167
1173.24	151
1177.49	166
1181.75	166
1186.01	164
1190.26	156
1194.51	146
1198.76	164
1203	143
1207.24	146
1211.49	149
1215.73	136
1219.96	148
1224.2	138
1228.43	145
1232.66	142
1236.89	153
1241.12	139
1245.34	133
1249.57	134
1253.79	144
1258.01	142
1262.22	143
1266.44	150
1270.65	144
1274.86	148
1279.07	148
1283.27	147
1287.48	145
1291.68	143
1295.88	146
1300.08	151
1304.28	155
1308.47	151
1312.66	153
1316.85	161
1321.04	144
1325.22	152
1329.41	150
1333.59	159
1337.77	165
1341.94	164
1346.12	155
1350.29	154
1354.46	153
1358.63	165
1362.8	158
1366.96	170
1371.13	145
1375.29	161
1379.45	145
1383.61	167
1387.76	154
1391.91	169
1396.06	168
1400.21	152
1404.36	169
1408.5	160
1412.65	158
1416.79	171
1420.93	176
1425.06	193
1429.2	216
1433.33	240
1437.46	254
1441.59	212
1445.71	181
1449.84	171
1453.96	176
1458.08	163
1462.2	169
1466.32	171
1470.43	165
1474.54	168
1478.65	166
1482.76	165
1486.87	164
1490.97	152
1495.08	168
1499.18	161
1503.27	153
1507.37	168
1511.47	156
1515.56	154
1519.65	167
1523.74	159
1527.82	162
1531.91	158
1535.99	177
1540.07	152
1544.15	152
1548.23	171
1552.3	153
1556.37	150
1560.44	154
1564.51	155
1568.58	163
1572.64	152
1576.71	163
1580.77	146
1584.82	159
1588.88	155
1592.94	164
1596.99	153
1601.04	152
1605.09	159
1609.14	163
1613.18	169
1617.22	157
1621.27	161
1625.31	164
1629.34	169
1633.38	142
1637.41	151
1641.44	143
1645.47	160
1649.5	155
1653.52	153
1657.55	152
1661.57	171
1665.59	175
1669.61	155
1673.62	139
1677.64	149
1681.65	145
1685.66	160
1689.67	159
1693.67	140
1697.68	160
1701.68	160
1705.68	161
1709.68	149
1713.67	154
1717.67	163
1721.66	163
1725.65	152
1729.64	164
1733.63	163
1737.61	176
1741.59	199
1745.58	278
1749.56	309
1753.53	230
1757.51	192
1761.48	179
1765.45	161
1769.42	153
1773.39	163
1777.36	166
1781.32	143
1785.28	146
1789.24	151
1793.2	161
1797.16	160
1801.11	154
1805.06	152
1809.01	153
1812.96	166
1816.91	153
1820.85	159
1824.8	166
1828.74	163
1832.68	161
1836.61	150
1840.55	160
1844.48	160
1848.41	166
1852.34	167
1856.27	147
1860.2	156
1864.12	150
1868.04	166
1871.97	155
1875.88	156
1879.8	167
1883.72	154
1887.63	154
1891.54	164
1895.45	146
1899.36	145
1903.26	155
1907.16	145
1911.07	155
1914.97	165
1918.86	154
1922.76	153
1926.65	147
1930.55	138
1934.44	152
1938.32	156
1942.21	159
1946.1	163
1949.98	143
1953.86	161
1957.74	161
1961.62	175
1965.5	167
1969.37	162
1973.24	176
1977.11	149
1980.98	152
1984.85	140
1988.71	162
1992.57	142
1996.44	136
2000.3	163
2004.15	158
2008.01	166
2011.86	159
2015.71	173
2019.56	158
2023.41	161
2027.26	173
2031.1	170
2034.94	170
2038.79	169
2042.63	161
2046.46	181
2050.3	160
2054.13	150
2057.96	169
2061.79	163
2065.62	156
2069.45	144
2073.27	170
2077.09	160
2080.91	165
2084.74	174
2088.55	168
2092.37	158
2096.18	159
2099.99	176
2103.8	182
2107.61	165
2111.42	165
2115.22	186
2119.03	167
2122.83	168
2126.63	168
2130.42	179
2134.22	183
2138.01	178
2141.81	177
2145.6	178
2149.39	167
2153.17	165
2156.96	177
2160.74	176
2164.52	194
2168.3	187
2172.08	189
2175.85	189
2179.63	178
2183.4	176
2187.17	163
2190.94	180
2194.71	168
2198.47	167
2202.24	181
2206	183
2209.76	162
2213.52	186
2217.28	190
2221.03	185
2224.78	191
2228.53	180
2232.28	189
2236.03	181
2239.78	175
2243.52	190
2247.27	194
2251.01	191
2254.75	190
2258.48	181

