#------------------------------------------------------------------------------
#$Date: 2018-07-20 15:02:54 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1269 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500163.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Raman Open Database (ROD),
# http://solsa.crystallography.net/rod/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_3500163
loop_
_publ_author_name
'El Mendili, Y.'
'Secchi, M.'
'Zannatta, M.'
_publ_section_title
;
 Raman spectrum of commercial calcium peroxide
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2018
_chemical_compound_source        'commercial powder Aldrich 78%'
_chemical_formula_structural     'Ca O2'
_chemical_formula_sum            'Ca O2'
_chemical_name_mineral           'Calcium peroxide'
_chemical_name_systematic        'calcium peroxide'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   5.01
_cell_length_b                   5.01
_cell_length_c                   5.92
_raman_determination_method      experimental
_[local]_chemical_compound_color yelow
_[local]_chemical_compound_state Solid
_raman_measurement_device.location 'University of Trento'
_raman_measurement_device.company Horiba
_raman_measurement_device.model  Aramis
_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 0.80
_raman_measurement_device.excitation_laser_type helium-neon
_raman_measurement_device.excitation_laser_wavelength 633
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 2
_raman_measurement_device.power_on_sample 12
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1
_raman_measurement_device.diffraction_grating 600
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   300
_raman_measurement.pressure      100
_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 50
_raman_measurement.datetime_initiated 2018-01-18
_rod_data_source.file            CaO2.rod
_rod_data_source.block           3500020
_rod_database.code               3500163
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 silicon_wafer
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 1530292 COD http://www.crystallography.net/cod/1530292.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
102.305 1332.44
104.549 1429.22
106.791 1451.22
109.033 1415.67
111.274 1406.22
113.514 1422.56
115.755 1403.44
117.994 1362.89
120.233 1278.56
122.471 1179.22
124.708 1068.56
126.944 939.111
129.18 829.333
131.415 760.556
133.65 711.222
135.884 703.778
138.117 712.111
140.35 732
142.58 723.889
144.812 730.889
147.043 722.667
149.273 733.111
151.502 743
153.73 718.333
155.958 686.667
158.185 648.667
160.411 597.222
162.637 587.667
164.863 568.444
167.086 562
169.311 591.556
171.533 622.445
173.756 694.111
175.977 721.333
178.199 733.778
180.419 699.889
182.639 629.444
184.858 599.333
187.076 574.555
189.295 542.333
191.511 544.111
193.727 549
195.943 556.667
198.159 570.222
200.373 600.889
202.586 630.333
204.799 665.667
207.011 690.111
209.225 677.333
211.435 654.556
213.646 639.111
215.856 629.778
218.065 627.556
220.273 634.444
222.481 633.556
224.688 614.444
226.895 586
229.101 563.222
231.304 518.889
233.509 511.889
235.713 529.778
237.917 532.556
240.12 541.556
242.32 567.222
244.522 603.889
246.723 624.556
248.923 639.444
251.121 678.111
253.321 693.889
255.518 749.333
257.715 771.222
259.913 802.222
262.108 844.778
264.304 848.222
266.498 858
268.692 813.333
270.885 803.556
273.077 772.778
275.27 734.889
277.461 707.222
279.651 706.111
281.842 701.778
284.031 704.556
286.219 708.778
288.407 713.222
290.596 747.333
292.782 782.222
294.968 829
297.153 902.444
299.338 949.111
301.522 981.556
303.705 978.222
305.888 973.778
308.07 931.778
310.252 884.222
312.433 842.778
314.613 776.444
316.793 715
318.972 683.222
321.15 670
323.328 650.222
325.504 668.222
327.681 699.778
329.857 724
332.032 742.667
334.205 740
336.38 712.889
338.553 741.889
340.725 774.667
342.897 837.556
345.069 896.667
347.239 926.667
349.409 883.444
351.578 815.667
353.747 728.667
355.914 690.111
358.081 616
360.248 546.111
362.414 482.889
364.58 427.556
366.744 388.111
368.908 356.556
371.071 337
373.235 318
375.397 308.667
377.558 299.667
379.718 295.333
381.878 296.778
384.038 284.667
386.198 286.111
388.356 298.667
390.514 292.778
392.671 295.444
394.827 307.333
396.983 309.333
399.138 306
401.291 294.222
403.445 276
405.598 264.556
407.751 258.889
409.903 241.444
412.055 242.222
414.204 234.222
416.354 224.333
418.504 227.444
420.652 225.222
422.8 212
424.948 217.444
427.094 220.222
429.241 219.222
431.386 210.222
433.531 215.111
435.675 214.889
437.819 212.222
439.961 214
442.104 219.111
444.245 212.444
446.386 209
448.527 209.444
450.667 218
452.805 209.444
454.945 209.222
457.082 215.444
459.219 199.778
461.356 211
463.491 209
465.627 216.111
467.763 215.111
469.896 211
472.03 211.778
474.163 201.111
476.295 207.111
478.426 205.444
480.557 205.444
482.686 201.111
484.816 204.889
486.945 212
489.074 202
491.202 205.667
493.329 211.444
495.455 209.222
497.581 206.667
499.707 212.778
501.83 199.444
503.955 207.556
506.079 199.556
508.201 207.556
510.323 201.222
512.444 204.333
514.566 201.889
516.685 199.778
518.805 202.778
520.924 207.444
523.043 203.111
525.16 204.667
527.277 203.556
529.394 201.778
531.51 214.111
533.624 206.333
535.74 207.444
537.854 206.778
539.967 213.333
542.079 221
544.191 211.889
546.303 213.556
548.415 211.889
550.525 218
552.634 215.333
554.743 209.444
556.852 213.556
558.96 211.333
561.065 213.222
563.172 208.556
565.278 213.111
567.384 212
569.489 213
571.593 212.889
573.695 212.556
575.798 211.333
577.901 208
580.003 212.222
582.103 210.667
584.204 207.778
586.303 210.667
588.402 215.556
590.501 219
592.598 219.556
594.696 213.444
596.792 211
598.888 214.222
600.984 216.222
603.078 217.444
605.173 222.444
607.266 218
609.359 224.667
611.452 222.444
613.543 218.889
615.634 226.111
617.724 220.778
619.814 226.667
621.903 227.444
623.993 226.556
626.081 228.111
628.168 226.889
630.255 226.889
632.341 228.667
634.427 233.222
636.512 235.333
638.596 227.889
640.679 227
642.762 230
644.845 234.556
646.927 236.222
649.008 239.111
651.088 229.222
653.168 227.778
655.248 236.111
657.327 248.222
659.405 235
661.483 240.778
663.559 243.556
665.636 243.333
667.713 259.222
669.787 262.111
671.861 255.556
673.936 252.556
676.008 252.889
678.082 253.222
680.154 258.889
682.225 259
684.297 253.556
686.367 253.889
688.436 255.667
690.505 243
692.574 236
694.642 241
696.709 229.667
698.776 239.444
700.842 251.556
702.907 261.222
704.972 256.222
707.036 255.556
709.1 234.111
711.163 232.111
713.226 237.333
715.288 229.333
717.349 235.111
719.41 225
721.469 222.889
723.529 230.222
725.588 233.111
727.647 220.556
729.703 237.444
731.761 237.778
733.818 248.667
735.873 271.778
737.929 294.222
739.983 301.333
742.037 313.667
744.09 319.111
746.144 314.556
748.195 335.444
750.248 338.667
752.298 336.667
754.348 329.333
756.399 300.556
758.448 266.333
760.496 251.222
762.545 245.333
764.593 240.667
766.639 236.556
768.685 238.889
770.731 239.889
772.776 238.444
774.82 235.333
776.864 243.556
778.907 249.556
780.95 257.778
782.992 246.556
785.034 261
787.075 262
789.115 281.333
791.155 277.333
793.195 305.444
795.234 316.444
797.27 332.778
799.308 351.444
801.345 387.333
803.381 421.111
805.417 452
807.452 504.222
809.486 556.889
811.52 632.333
813.553 702.111
815.586 803.778
817.618 930.222
819.65 1059.78
821.68 1263
823.71 1518
825.74 1869.56
827.769 2396.67
829.797 2908.44
831.826 3336.56
833.853 3717.11
835.88 4011.78
837.905 4336.44
839.931 4374.44
841.957 4224.22
843.981 3726.11
846.005 3214.11
848.028 2754.33
850.051 2340.33
852.073 1984.33
854.094 1633.22
856.115 1364.56
858.134 1147.89
860.154 971
862.174 844.556
864.192 746.222
866.211 655.111
868.227 582.333
870.244 524.778
872.261 475.556
874.275 443.111
876.291 412.111
878.306 373.333
880.319 347.889
882.333 319.667
884.345 301.667
886.358 284.222
888.369 268.889
890.38 264.556
892.39 252.222
894.399 246.556
896.409 231.222
898.418 226.778
900.425 224.556
902.432 216.444
904.44 212.556
906.446 211.222
908.452 203
910.457 204.111
912.461 210.333
914.465 196.778
916.468 202.556
918.471 195.111
920.474 197.444
922.475 198
924.476 198.556
926.477 194.444
928.477 193.556
930.477 199.667
932.476 198.222
934.473 194.556
936.471 192.778
938.468 188.333
940.464 190.111
942.46 189.778
944.456 184.111
946.45 182.556
948.445 187.444
950.437 192.444
952.431 183.222
954.423 189.556
956.415 185.889
958.406 184.444
960.398 190.333
962.387 196.222
964.377 187.556
966.366 184.667
968.354 182.667
970.342 190.333
972.329 185.444
974.315 179.667
976.303 188.667
978.288 180.778
980.273 183.333
982.257 190.111
984.241 183.111
986.224 182.444
988.207 185.778
990.189 178.333
992.171 179.111
994.151 187.778
996.131 182.556
998.111 181
1000.09 184.889
1002.07 186.889
1004.05 185.667
1006.03 186.889
1008 182.222
1009.98 182.333
1011.95 185
1013.93 181.222
1015.9 186.222
1017.88 188.667
1019.85 183.444
1021.82 192.111
1023.8 187.667
1025.77 186.889
1027.74 201.222
1029.71 183.778
1031.68 195.444
1033.65 196
1035.62 193.556
1037.59 197.889
1039.56 205.444
1041.52 208
1043.49 208.111
1045.46 211.333
1047.42 224.556
1049.39 224.778
1051.35 228
1053.32 232.111
1055.28 239.111
1057.24 260.222
1059.2 266.667
1061.17 297.222
1063.13 315.444
1065.09 345.222
1067.05 399.667
1069.01 491.778
1070.97 646.444
1072.92 869.889
1074.88 1101.56
1076.84 1215.89
1078.8 1250.78
1080.75 1210.56
1082.71 1264.22
1084.66 1433
1086.62 1716.56
1088.57 1977.22
1090.52 2181.44
1092.48 2055
1094.43 1672
1096.38 1195.33
1098.33 800
1100.28 560.222
1102.23 413.111
1104.18 350.222
1106.13 298.889
1108.08 266.778
1110.03 252.222
1111.97 245.778
1113.92 233.333
1115.87 225.778
1117.81 226.778
1119.76 220.556
1121.7 224.111
1123.65 223.556
1125.59 214.778
1127.53 220.444
1129.47 212
1131.42 216.444
1133.36 205.444
1135.3 210.444
1137.24 208.333
1139.18 217.444
1141.11 200.889
1143.05 210.556
1144.99 215.556
1146.93 206.333
1148.86 210
1150.8 212.556
1152.74 205
1154.67 208.111
1156.6 204.556
1158.54 196.444
1160.47 194.889
1162.4 200.222
1164.34 194.333
1166.27 199.111
1168.2 192.556
1170.13 192.889
1172.06 190
1173.99 186
1175.92 184.333
1177.85 192.333
1179.78 184
1181.7 186
1183.63 188.111
1185.55 187.556
1187.48 182.444
1189.41 189.667
1191.33 183.667
1193.25 181.667
1195.18 184.556
1197.1 178.667
1199.02 187.667
1200.94 191
1202.86 180.778
1204.79 183.111
1206.71 176.667
1208.63 178.333
1210.54 184.889
1212.46 176
1214.38 180.778
1216.3 183.556
1218.22 182.667
1220.13 179.444
1222.05 183.889
1223.96 181
1225.88 188.556
1227.79 184.556
1229.71 183.222
1231.62 192
1233.53 187.556
1235.44 183.444
1237.35 175.889
1239.26 185.333
1241.18 187.778
1243.08 188.111
1244.99 185
1246.9 198
1248.81 191
1250.72 182
1252.63 180.889
1254.53 186.667
1256.44 185.556
1258.34 182.556
1260.25 181.667
1262.15 185.889
1264.06 185.889
1265.96 182.889
1267.86 181.444
1269.76 183.556
1271.67 181.333
1273.57 176.778
1275.47 184.889
1277.37 188.333
1279.27 179.889
1281.17 179.111
1283.06 183.444
1284.96 178.111
1286.86 181.111
1288.76 181.778
1290.65 179.556
1292.55 186.333
1294.44 175.667
1296.34 186.889
1298.23 167.444
1300.13 178
1302.02 170.556
1303.91 180.222
1305.8 183.778
1307.7 177.778
1309.59 181
1311.48 171.889
1313.37 179.889
1315.26 180
1317.15 176.778
1319.03 182.556
1320.92 182.556
1322.81 174.222
1324.7 181.444
1326.58 180.222
1328.47 183.778
1330.35 185.778
1332.24 186.667
1334.12 177.222
1336 180.333
1337.89 183.667
1339.77 181.778
1341.65 179
1343.53 181.667
1345.41 181.778
1347.29 183.333
1349.17 180.222
1351.05 182.222
1352.93 175.444
1354.81 182.111
1356.69 184
1358.56 181.889
1360.44 180.667
1362.32 178
1364.19 183.222
1366.07 178.667
1367.94 176.667
1369.81 180.556
1371.69 178.444
1373.56 178.667
1375.43 182.778
1377.31 182
1379.18 182.111
1381.05 182.111
1382.92 188.111
1384.79 183.889
1386.66 178.444
1388.52 183.222
1390.39 192.556
1392.26 184.556
1394.13 185.667
1395.99 187.333
1397.86 181
1399.73 187.556
1401.59 185.667
1403.45 186.889
1405.32 188.444
1407.18 190.333
1409.04 187.111
1410.91 200.222
1412.77 194.444
1414.63 191.333
1416.49 192.889
1418.35 201.889
1420.21 199
1422.07 205.333
1423.93 206.667
1425.79 209.778
1427.64 200.889
1429.5 195.111
1431.36 208.333
1433.21 199.778
1435.07 206.667
1436.93 201.111
1438.78 207.667
1440.63 200.556
1442.49 204.889
1444.34 200.667
1446.19 200.556
1448.04 196.667
1449.89 193.222
1451.75 202.111
1453.6 204.778
1455.45 201.444
1457.3 203.778
1459.14 200.444
1460.99 209.556
1462.84 209.556
1464.69 205.778
1466.53 212.222
1468.38 212.778
1470.23 211.556
1472.07 202.333
1473.92 212.556
1475.76 219.222
1477.6 212.222
1479.45 212.333
1481.29 220
1483.13 225.778
1484.97 216.889
1486.81 229.667
1488.65 232.889
1490.49 239
1492.33 243.333
1494.17 253.778
1496.01 270.111
1497.85 275.111
1499.69 283.667
1501.52 285.778
1503.36 291
1505.19 285.889
1507.03 274
1508.87 273.222
1510.7 258.333
1512.53 248.333
1514.37 242.333
1516.2 238.667
1518.03 238.778
1519.86 226.222
1521.69 227.667
1523.53 222
1525.36 219.222
1527.19 219.556
1529.02 226
1530.84 216.889
1532.67 215.111
1534.5 210.444
1536.33 221.333
1538.15 215
1539.98 222.889
1541.8 217.889
1543.63 217.778
1545.45 220.111
1547.28 225.111
1549.1 235.889
1550.93 242.444
1552.75 243.333
1554.57 239.222
1556.39 229.556
1558.21 220.556
1560.03 207.778
1561.85 203.333
1563.67 203.444
1565.49 198.222
1567.31 195
1569.13 193.889
1570.95 198.556
1572.76 198
1574.58 182.778
1576.39 187.556
1578.21 183.778
1580.03 187.444
1581.84 189.111
1583.65 182.444
1585.47 188.778
1587.28 184.889
1589.09 189.667
1590.9 184
1592.72 189
1594.53 183.889
1596.34 193.444
1598.15 190
1599.96 187.444
1601.76 188
1603.57 192.444
1605.38 191.333
1607.19 190.667
1609 191.444
1610.8 190.667
1612.61 193.333
1614.41 194.556
1616.22 185.667
1618.02 191.556
1619.83 192.222
1621.63 185
1623.43 192.444
1625.23 189.667
1627.04 194.444
1628.84 188
1630.64 183.111
1632.44 185.222
1634.24 189.667
1636.04 193.333
1637.84 189.667
1639.63 190.333
1641.43 198.556
1643.23 201
1645.03 194.222
1646.82 190.778
1648.62 195.556
1650.42 200
1652.21 209.333
1654 202.222
1655.8 200.889
1657.59 203.444
1659.38 206
1661.18 199.444
1662.97 199.556
1664.76 199
1666.55 198.222
1668.34 200.444
1670.13 204
1671.92 194.778
1673.71 197.889
1675.5 200.444
1677.29 198.889
1679.07 195.889
1680.86 195.444
1682.65 190.556
1684.43 196.667
1686.22 197.111
1688 192.667
1689.79 196.667
1691.57 197.222
1693.35 194.111
1695.14 193.556
1696.92 194.778
1698.7 203.222
1700.48 194.444
1702.26 194.222
1704.04 200.889
1705.83 184.889
1707.6 194.667
1709.38 194.111
1711.16 191.222
1712.94 197.222
1714.72 193
1716.49 199.333
1718.27 189.889
1720.05 200.111
1721.82 192.444
1723.6 192.333
1725.37 192.333
1727.15 199.889
1728.92 196.222
1730.69 199.667
1732.47 196.556
1734.24 202
1736.01 202.111
1737.78 198.889
1739.55 198.333
1741.32 200.778
1743.09 204.667
1744.86 216.556
1746.63 231.222
1748.4 243.667
1750.16 237.889
1751.93 237.222
1753.7 245.333
1755.46 233.222
1757.23 234.111
1759 241
1760.76 225
1762.52 209.222
1764.29 217.556
1766.05 211.222
1767.82 201.556
1769.58 199.667
1771.34 204.444
1773.1 201.222
1774.86 196.778
1776.62 194.444
1778.38 191.556
1780.14 193.889
1781.9 199.444
1783.66 196.444
1785.42 194.333
1787.17 192.556
1788.93 204.222
1790.69 195.333
1792.44 194.333
1794.2 190.889
1795.95 194.222
1797.71 194.778
1799.46 188.778
1801.22 192.889
1802.97 186.333
1804.72 191.556
1806.48 187.444
1808.23 184.778
1809.98 185.333
1811.73 184.333
1813.48 184.889
1815.23 184.889
1816.98 180.111
1818.73 184.111
1820.48 186.111
1822.22 192
1823.97 184.556
1825.72 185.222
1827.46 182.111
1829.21 184.889
1830.96 178.778
1832.7 184.222
1834.44 175.333
1836.19 184
1837.93 182.222
1839.68 184.222
1841.42 177.444
1843.16 176
1844.9 175.556
1846.64 178.778
1848.38 178.667
1850.12 179.889
1851.86 187.222
1853.6 181.111
1855.34 178.667
1857.08 179.444
1858.82 179.111
1860.56 179.111
1862.29 187.667
1864.03 179.444
1865.77 185.222
1867.5 185.222
1869.24 188.444
1870.97 196.222
1872.7 197.778
1874.44 196.222
1876.17 197.333
1877.9 200
1879.63 197.444
1881.37 201.556
1883.1 201.667
1884.83 208.444
1886.56 206.778
1888.29 209.667
1890.02 203
1891.75 212
1893.47 215.111
1895.2 211.333
1896.93 210.222
1898.66 215.778
1900.38 208.556
1902.11 217.333
1903.83 222.667
1905.56 224.222
1907.28 223.111
1909.01 221.111
1910.73 227.444
1912.45 225.889
1914.18 234.333
1915.9 228.111
1917.62 231
1919.34 231.333
1921.06 227.667
1922.78 232
1924.5 224.889
1926.22 231
1927.94 233.556
1929.66 235.333
1931.38 230.778
1933.1 243.667
1934.81 232.222
1936.53 235.444
1938.24 224.444
1939.96 232.333
1941.68 233.333
1943.39 241.556
1945.1 226.778
1946.82 226.889
1948.53 228.667
1950.24 226
1951.96 223.111
1953.67 221.333
1955.38 219.778
1957.09 227.889
1958.8 222.889
1960.51 214.778
1962.22 227.556
1963.93 214.889
1965.64 209.333
1967.35 214
1969.05 212.889
1970.76 212
1972.47 218.444
1974.17 216.556
1975.88 214.667
1977.58 209.111
1979.29 205.667
1980.99 210.556
1982.7 204.111
1984.4 201.889
1986.1 210.556
1987.81 199.444
1989.51 204
1991.21 194.333
1992.91 198.444
1994.61 199
1996.31 194.778
1998.01 200.333
1999.71 190.889