#------------------------------------------------------------------------------
#$Date: 2018-02-05 18:52:39 +0200 (Mon, 05 Feb 2018) $
#$Revision: 380 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500165.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_3500165
loop_
_publ_author_name
'El Mendili, Y'
'Secchi, M'
'Zannatta, M'
_publ_section_title
;
 Raman spectrum of commercial FeSO4
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2018
_chemical_compound_source        'commercial Aldrich 99%'
_chemical_formula_structural     'Fe O4 S'
_chemical_formula_sum            'Fe O4 S'
_chemical_name_mineral           'Iron(II) sulfate'
_chemical_name_systematic        'Iron(II) sulfate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7042(8)
_cell_length_b                   6.8013(5)
_cell_length_c                   4.7868(5)
_raman_determination_method      experimental
_[local]_chemical_compound_color green
_[local]_chemical_compound_state Solid
_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 5
_raman_measurement.datetime_initiated 2018-01-18
_rod_data_source.file            FeSO4.rod
_rod_data_source.block           3500052
_rod_database.code               3500165
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 2216658 COD http://www.crystallography.net/cod/2216658.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
102.305 356.444
104.549 371.333
106.791 422.889
109.033 467.111
111.274 524.222
113.514 551.889
115.755 524.556
117.994 493.889
120.233 456.889
122.471 427.111
124.708 400.222
126.944 384.667
129.18 371.111
131.415 364.778
133.65 361
135.884 351.778
138.117 362.222
140.35 371.444
142.58 371.889
144.812 386
147.043 394.556
149.273 408.889
151.502 441.444
153.73 472.667
155.958 514.333
158.185 563.778
160.411 572
162.637 574.222
164.863 534.889
167.086 487.111
169.311 427.889
171.533 399.333
173.756 382.667
175.977 380.111
178.199 360.111
180.419 371.889
182.639 373.333
184.858 379.333
187.076 382.444
189.295 402.889
191.511 413
193.727 429
195.943 436.889
198.159 463
200.373 475
202.586 507.444
204.799 532
207.011 600.333
209.225 666.778
211.435 770.889
213.646 907.333
215.856 1063.67
218.065 1145.67
220.273 1182.89
222.481 1112.56
224.688 961.222
226.895 816
229.101 691.667
231.304 619.778
233.509 556.222
235.713 511.333
237.917 490.556
240.12 458.222
242.32 453.778
244.522 442.667
246.723 425.778
248.923 427.778
251.121 435.111
253.321 430.333
255.518 461.444
257.715 466.444
259.913 495.556
262.108 570.667
264.304 650.889
266.498 834.667
268.692 1026.78
270.885 1217.33
273.077 1257.11
275.27 1123.89
277.461 926.222
279.651 741.111
281.842 625.556
284.031 553.778
286.219 512.445
288.407 481.333
290.596 466.222
292.782 452.556
294.968 458.889
297.153 466.444
299.338 469.778
301.522 476.667
303.705 458.333
305.888 434.333
308.07 428.444
310.252 409.111
312.433 396
314.613 388.111
316.793 379.667
318.972 366.556
321.15 364.222
323.328 359
325.504 359.333
327.681 350.222
329.857 349.333
332.032 355.889
334.205 355.111
336.38 360.444
338.553 364.444
340.725 361.778
342.897 365.667
345.069 366.556
347.239 356.333
349.409 355.444
351.578 359.222
353.747 366.222
355.914 364.889
358.081 365.667
360.248 366.333
362.414 365.889
364.58 363.556
366.744 367.778
368.908 375.333
371.071 373.667
373.235 381.889
375.397 367.222
377.558 375.778
379.718 385
381.878 378
384.038 384.889
386.198 386.667
388.356 386.778
390.514 399
392.671 401
394.827 407.333
396.983 408.889
399.138 406.111
401.291 428.111
403.445 438.222
405.598 448.111
407.751 456
409.903 484.667
412.055 501.111
414.204 560.778
416.354 662.444
418.504 866.889
420.652 1257.22
422.8 1674.56
424.948 1817.56
427.094 1621.67
429.241 1222.67
431.386 872.889
433.531 676.667
435.675 571.111
437.819 531.889
439.961 497.333
442.104 470.444
444.245 474.111
446.386 460.778
448.527 462.667
450.667 472.889
452.805 476.111
454.945 460.444
457.082 475.222
459.219 475.889
461.356 491.444
463.491 496.333
465.627 502.556
467.763 522.333
469.896 560.444
472.03 576.111
474.163 593.778
476.295 637.778
478.426 673.222
480.557 713.556
482.686 777.667
484.816 873.222
486.945 929.889
489.074 1002.89
491.202 1085
493.329 1148
495.455 1207.78
497.581 1203.44
499.707 1144.33
501.83 1059.78
503.955 962
506.079 856.778
508.201 772.556
510.323 712.667
512.444 660.444
514.566 615
516.685 576.444
518.805 541.333
520.924 538.111
523.043 517.889
525.16 507.556
527.277 483.778
529.394 481
531.51 479
533.624 463
535.74 442.222
537.854 457.667
539.967 442.444
542.079 439.222
544.191 449.222
546.303 429
548.415 430.667
550.525 429.444
552.634 434
554.743 429.111
556.852 413.444
558.96 425.444
561.065 417.556
563.172 424.778
565.278 417.333
567.384 427.333
569.489 424.222
571.593 420.111
573.695 427.667
575.798 438.444
577.901 431.333
580.003 427.333
582.103 452.444
584.204 430.222
586.303 434.444
588.402 455.778
590.501 455.111
592.598 467.444
594.696 470.444
596.792 470.556
598.888 485.333
600.984 498.111
603.078 524.889
605.173 546.333
607.266 584.444
609.359 648.556
611.452 776.222
613.543 979.333
615.634 1254.56
617.724 1504
619.814 1592.56
621.903 1557.89
623.993 1411.78
626.081 1265.11
628.168 1040.67
630.255 824.667
632.341 676.222
634.427 579
636.512 529.667
638.596 502.778
640.679 488.111
642.762 474.556
644.845 475.889
646.927 477
649.008 482.667
651.088 496.333
653.168 526.778
655.248 562.333
657.327 629.333
659.405 729.667
661.483 820.889
663.559 928.667
665.636 937.222
667.713 871.333
669.787 752.556
671.861 636.222
673.936 562.111
676.008 501
678.082 467.222
680.154 460.778
682.225 436
684.297 441.778
686.367 419.444
688.436 423.556
690.505 421.111
692.574 414.667
694.642 410.556
696.709 407.889
698.776 421.111
700.842 401.444
702.907 402
704.972 411.333
707.036 398.111
709.1 400.111
711.163 403.111
713.226 401.778
715.288 407.111
717.349 407.333
719.41 401.667
721.469 394.667
723.529 403.444
725.588 394
727.647 407.222
729.703 409.333
731.761 409.778
733.818 412.222
735.873 405.222
737.929 407
739.983 399.111
742.037 409.667
744.09 409.222
746.144 413.444
748.195 415.778
750.248 418.444
752.298 414.556
754.348 413
756.399 412.778
758.448 418.222
760.496 408.889
762.545 420.444
764.593 411
766.639 420.222
768.685 410.889
770.731 416
772.776 415.778
774.82 416.778
776.864 410.222
778.907 409.556
780.95 418.889
782.992 408.333
785.034 417.444
787.075 422.222
789.115 414.889
791.155 423.667
793.195 418.556
795.234 414.889
797.27 414.667
799.308 414.889
801.345 419.444
803.381 412.333
805.417 409.333
807.452 415.111
809.486 408.667
811.52 423.111
813.553 426.333
815.586 435.333
817.618 428
819.65 420.111
821.68 431.778
823.71 420.889
825.74 425.111
827.769 428.222
829.797 432.111
831.826 433.333
833.853 440.333
835.88 451.889
837.905 450.778
839.931 459.889
841.957 477.222
843.981 470.556
846.005 484.889
848.028 495.111
850.051 481.667
852.073 491.444
854.094 490.889
856.115 490.222
858.134 492.222
860.154 476.444
862.174 474.556
864.192 475.222
866.211 457.556
868.227 463.778
870.244 460.444
872.261 455.667
874.275 455.667
876.291 451.778
878.306 443.111
880.319 443.889
882.333 445
884.345 433
886.358 441.667
888.369 443.778
890.38 443
892.39 440.889
894.399 432.778
896.409 438.333
898.418 436.333
900.425 444.889
902.432 444.889
904.44 444.889
906.446 436.444
908.452 444.556
910.457 447.444
912.461 445.111
914.465 443.444
916.468 447.333
918.471 445.778
920.474 445.778
922.475 450.111
924.476 455.222
926.477 456.444
928.477 454.333
930.477 454.778
932.476 459.111
934.473 458.778
936.471 459.333
938.468 465.778
940.464 458.111
942.46 464.444
944.456 475.667
946.45 480.778
948.445 473.222
950.437 479.444
952.431 489.444
954.423 493.222
956.415 499.667
958.406 509.111
960.398 522.111
962.387 528.222
964.377 533.222
966.366 533.111
968.354 529
970.342 518.333
972.329 525.556
974.315 531.889
976.303 556.556
978.288 556.444
980.273 556.445
982.257 567.556
984.241 584.111
986.224 610.333
988.207 623.667
990.189 654.222
992.171 699.111
994.151 737.556
996.131 781.444
998.111 828.778
1000.09 912.444
1002.07 988.667
1004.05 1097.11
1006.03 1268.56
1008 1513.22
1009.98 1886.33
1011.95 2552.11
1013.93 3648.78
1015.9 5418.22
1017.88 7370.67
1019.85 8522
1021.82 8122.11
1023.8 6654.22
1025.77 4787.56
1027.74 3254.78
1029.71 2258.56
1031.68 1672.78
1033.65 1349.89
1035.62 1147.11
1037.59 1009.44
1039.56 910.889
1041.52 860
1043.49 806
1045.46 805.444
1047.42 780.222
1049.39 763.444
1051.35 754.667
1053.32 774.111
1055.28 790.667
1057.24 806.222
1059.2 855.333
1061.17 897
1063.13 951.333
1065.09 1021.44
1067.05 1077.33
1069.01 1169.67
1070.97 1241.89
1072.92 1309.56
1074.88 1340.33
1076.84 1345.22
1078.8 1338.56
1080.75 1282.44
1082.71 1269.33
1084.66 1246.89
1086.62 1286
1088.57 1342.56
1090.52 1396.22
1092.48 1449.44
1094.43 1481.67
1096.38 1444.33
1098.33 1359.78
1100.28 1228.33
1102.23 1069.67
1104.18 946.889
1106.13 864.889
1108.08 762.222
1110.03 720.667
1111.97 663.667
1113.92 609.889
1115.87 596.778
1117.81 556
1119.76 545.333
1121.7 532.889
1123.65 521.778
1125.59 502.556
1127.53 487.778
1129.47 477
1131.42 476.667
1133.36 471.556
1135.3 472.778
1137.24 462
1139.18 452.222
1141.11 456.556
1143.05 449.222
1144.99 448.444
1146.93 442.111
1148.86 438
1150.8 444.556
1152.74 456.556
1154.67 440.667
1156.6 436.889
1158.54 431.444
1160.47 437
1162.4 444.667
1164.34 442
1166.27 443.889
1168.2 450.222
1170.13 447.778
1172.06 438.667
1173.99 450.889
1175.92 431
1177.85 453.111
1179.78 465
1181.7 472.778
1183.63 482.889
1185.55 499.111
1187.48 554.111
1189.41 597.444
1191.33 722.556
1193.25 869.778
1195.18 1049.22
1197.1 1217.44
1199.02 1257.44
1200.94 1133
1202.86 964.111
1204.79 798.444
1206.71 679.222
1208.63 590.444
1210.54 536.556
1212.46 510.222
1214.38 475
1216.3 467.778
1218.22 465.222
1220.13 448.667
1222.05 447.111
1223.96 428.222
1225.88 445.333
1227.79 419.889
1229.71 437.222
1231.62 427.444
1233.53 431.778
1235.44 430
1237.35 423.333
1239.26 418.222
1241.18 412.333
1243.08 417
1244.99 415.889
1246.9 417.889
1248.81 414.889
1250.72 420.333
1252.63 415.111
1254.53 416.778
1256.44 413.778
1258.34 407.889
1260.25 413.222
1262.15 403.333
1264.06 408.111
1265.96 401.111
1267.86 418.111
1269.76 402.778
1271.67 394.667
1273.57 404.778
1275.47 397.222
1277.37 398
1279.27 393.111
1281.17 402.667
1283.06 408.778
1284.96 400.333
1286.86 397.667
1288.76 398.667
1290.65 389.444
1292.55 406
1294.44 396.667
1296.34 398.889
1298.23 390.222
1300.13 392.444
1302.02 389.889
1303.91 392.556
1305.8 403.111
1307.7 396.889
1309.59 391.222
1311.48 400.778
1313.37 396.111
1315.26 392
1317.15 411.222
1319.03 403
1320.92 399.444
1322.81 406.444
1324.7 396.444
1326.58 402
1328.47 414.222
1330.35 399.889
1332.24 399.889
1334.12 398.778
1336 401.111
1337.89 391.111
1339.77 383
1341.65 394.667
1343.53 384.444
1345.41 394.111
1347.29 396.778
1349.17 383.667
1351.05 396
1352.93 385.556
1354.81 383.778
1356.69 391.444
1358.56 387.444
1360.44 392.889
1362.32 391
1364.19 388.333
1366.07 384.889
1367.94 399.333
1369.81 385.222
1371.69 395.444
1373.56 389.333
1375.43 391.333
1377.31 391.667
1379.18 388.556
1381.05 392.333
1382.92 396.222
1384.79 388.333
1386.66 402.444
1388.52 385.778
1390.39 393.667
1392.26 393.222
1394.13 393.889
1395.99 396.444
1397.86 394.222
1399.73 392.444
1401.59 388.667
1403.45 390.778
1405.32 403.222
1407.18 392.778
1409.04 401.444
1410.91 394
1412.77 405.222
1414.63 400.333
1416.49 398.667
1418.35 411.333
1420.21 394.444
1422.07 399.889
1423.93 400.111
1425.79 410.889
1427.64 407.222
1429.5 412.889
1431.36 404.333
1433.21 410.889
1435.07 419.778
1436.93 405.778
1438.78 417.889
1440.63 419.444
1442.49 416.222
1444.34 418.222
1446.19 423.889
1448.04 428.333
1449.89 428.667
1451.75 442.667
1453.6 433.667
1455.45 438
1457.3 453.111
1459.14 447.222
1460.99 456.222
1462.84 470.444
1464.69 471
1466.53 481.778
1468.38 481.333
1470.23 486.222
1472.07 494
1473.92 488.556
1475.76 499.556
1477.6 496.778
1479.45 494.111
1481.29 490.444
1483.13 513.667
1484.97 493.111
1486.81 490.667
1488.65 506.778
1490.49 504.889
1492.33 488.556
1494.17 486.778
1496.01 494.111
1497.85 475
1499.69 475.444
1501.52 466
1503.36 471.778
1505.19 454.778
1507.03 446.556
1508.87 453
1510.7 448.889
1512.53 437.444
1514.37 439.667
1516.2 429.889
1518.03 426.556
1519.86 433.556
1521.69 435.111
1523.53 413.444
1525.36 422.444
1527.19 421.667
1529.02 412.556
1530.84 424.778
1532.67 414.889
1534.5 422.889
1536.33 416.556
1538.15 407.111
1539.98 406.556
1541.8 406.556
1543.63 411.556
1545.45 407.444
1547.28 406.222
1549.1 410.889
1550.93 404.444
1552.75 402.222
1554.57 403.667
1556.39 406.667
1558.21 402.444
1560.03 406.889
1561.85 399.444
1563.67 399.556
1565.49 406.333
1567.31 399.889
1569.13 392
1570.95 402.111
1572.76 410.111
1574.58 395.222
1576.39 398.222
1578.21 389
1580.03 396.333
1581.84 396.667
1583.65 398.222
1585.47 393
1587.28 410.556
1589.09 411.111
1590.9 387.111
1592.72 394.222
1594.53 400.556
1596.34 397.889
1598.15 403.333
1599.96 403.111
1601.76 406.333
1603.57 396.444
1605.38 397.667
1607.19 398.111
1609 395
1610.8 403.667
1612.61 404.333
1614.41 407.111
1616.22 407
1618.02 405.222
1619.83 401.444
1621.63 397.889
1623.43 408.444
1625.23 409
1627.04 400.333
1628.84 408
1630.64 400
1632.44 411
1634.24 407.222
1636.04 401.222
1637.84 403.889
1639.63 399.667
1641.43 402.778
1643.23 397.778
1645.03 408.333
1646.82 407.667
1648.62 406.778
1650.42 393.889
1652.21 398.667
1654 407.778
1655.8 407.111
1657.59 393.556
1659.38 398.667
1661.18 392.333
1662.97 397.333
1664.76 401.889
1666.55 397.556
1668.34 403.111
1670.13 404.333
1671.92 396.889
1673.71 394.222
1675.5 400.667
1677.29 402.889
1679.07 407.778
1680.86 400.556
1682.65 405
1684.43 398.889
1686.22 406.333
1688 402.889
1689.79 408
1691.57 396.222
1693.35 391
1695.14 402.111
1696.92 398.556
1698.7 411
1700.48 408.556
1702.26 403.778
1704.04 397.333
1705.83 395.444
1707.6 402.667
1709.38 399.444
1711.16 394.667
1712.94 398.111
1714.72 390.667
1716.49 391.444
1718.27 403.556
1720.05 395.333
1721.82 399.111
1723.6 398.667
1725.37 401.444
1727.15 399.556
1728.92 394.889
1730.69 392.889
1732.47 392.333
1734.24 392
1736.01 383.889
1737.78 404.444
1739.55 394.889
1741.32 386.111
1743.09 393.556
1744.86 387.889
1746.63 388.667
1748.4 388.556
1750.16 385.778
1751.93 393.111
1753.7 388.889
1755.46 382.222
1757.23 384.667
1759 386.667
1760.76 383.889
1762.52 385.333
1764.29 386.556
1766.05 380.444
1767.82 391.111
1769.58 374.889
1771.34 385.778
1773.1 373.444
1774.86 395.222
1776.62 381.111
1778.38 369.556
1780.14 378.111
1781.9 366.556
1783.66 384
1785.42 384.222
1787.17 371
1788.93 375
1790.69 374.222
1792.44 371.778
1794.2 364.333
1795.95 367.556
1797.71 377.444
1799.46 375.667
1801.22 368.667
1802.97 374.111
1804.72 372.667
1806.48 365.556
1808.23 365.333
1809.98 367
1811.73 366.556
1813.48 370
1815.23 362.556
1816.98 368.444
1818.73 358.667
1820.48 362.111
1822.22 361.444
1823.97 372.222
1825.72 356.444
1827.46 359.222
1829.21 358.222
1830.96 366.333
1832.7 357.556
1834.44 358.556
1836.19 369.222
1837.93 365.556
1839.68 364.444
1841.42 354.556
1843.16 360.778
1844.9 362.778
1846.64 355.444
1848.38 355.778
1850.12 354
1851.86 358.222
1853.6 354.889
1855.34 355.111
1857.08 355.333
1858.82 351.222
1860.56 347.778
1862.29 362
1864.03 361.778
1865.77 352.889
1867.5 360.222
1869.24 346.889
1870.97 354.556
1872.7 353.111
1874.44 351.222
1876.17 351.333
1877.9 349.556
1879.63 359.111
1881.37 350.444
1883.1 344
1884.83 345.667
1886.56 344.333
1888.29 347.778
1890.02 349.667
1891.75 345
1893.47 354.444
1895.2 350.444
1896.93 348.778
1898.66 348.667
1900.38 345.444
1902.11 347.889
1903.83 349.556
1905.56 340.444
1907.28 350.222
1909.01 341.111
1910.73 336.889
1912.45 342.556
1914.18 348.222
1915.9 351.222
1917.62 347.556
1919.34 346.333
1921.06 340.667
1922.78 346.333
1924.5 342.111
1926.22 337.222
1927.94 329.444
1929.66 338.222
1931.38 338.222
1933.1 336.222
1934.81 338.333
1936.53 348.222
1938.24 330.556
1939.96 338.111
1941.68 340.556
1943.39 333.778
1945.1 334.889
1946.82 335.444
1948.53 334.111
1950.24 327.667
1951.96 335.667
1953.67 332.111
1955.38 347.556
1957.09 332.111
1958.8 330.444
1960.51 330.889
1962.22 321.333
1963.93 326.556
1965.64 330
1967.35 337.111
1969.05 338.222
1970.76 337.444
1972.47 336.222
1974.17 327.111
1975.88 329.889
1977.58 323.667
1979.29 332.556
1980.99 333.333
1982.7 332.444
1984.4 328.778
1986.1 330.556
1987.81 320.778
1989.51 327.778
1991.21 332.111
1992.91 330.111
1994.61 334.222
1996.31 321.222
1998.01 333.111
1999.71 328.778
