#------------------------------------------------------------------------------
#$Date: 2018-02-06 16:23:16 +0200 (Tue, 06 Feb 2018) $
#$Revision: 395 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500180.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_3500180
loop_
_publ_author_name
'El Mendili, Y'
'Secchi, M'
'Zannatta, M'
_publ_section_title
;
 Raman spectrum of commercial BaC4O4
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2018
_chemical_compound_source        'commercial powder Aldrich 97%'
_chemical_formula_structural     'Ba (C4 O4)'
_chemical_formula_sum            'C4 Ba O4'
_chemical_name_mineral           BaC4O4
_chemical_name_systematic        BaC4O4
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3595
_cell_length_b                   6.3595
_cell_length_c                   12.4077
_cod_original_formula_sum        'Ba (C4 O4)'
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[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 50
_raman_measurement_device.microscope_numerical_aperture 0.50
_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 10
_raman_measurement.datetime_initiated 2018-01-15
_rod_data_source.file            BaC4O4.rod
_rod_data_source.block           3500020
_rod_database.code               3500180
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 1536806 COD http://www.crystallography.net/cod/1536806.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
102.279 6101.5
104.522 8253
106.766 9762.75
109.007 9955.75
111.248 9083.25
113.489 8280.25
115.728 8159
117.967 8325
120.207 8340
122.445 8008.25
124.682 8016
126.919 8565
129.155 9335
131.39 10569.3
133.624 11633
135.858 12300
138.09 12239.8
140.323 11717.8
142.555 11577.5
144.786 12051
147.017 12365.3
149.247 11908.8
151.475 10693.5
153.704 9742.25
155.932 9419.25
158.158 10133
160.385 11435.8
162.612 12548
164.836 13113.3
167.061 12609
169.284 11664.5
171.508 10724.5
173.729 10071.3
175.952 9673
178.172 9128.5
180.394 8364.25
182.613 7383
184.833 6673.5
187.051 6376.5
189.268 6672.75
191.486 7713.5
193.702 9324.5
195.917 10718.8
198.134 11572.8
200.348 11651
202.561 11516.8
204.774 10976.8
206.986 9986.25
209.198 8958
211.409 8070.5
213.621 7518.5
215.83 6968.5
218.039 6511.25
220.248 6411
222.456 6679
224.663 7387
226.868 8144.5
229.074 8808.25
231.279 8676.25
233.484 8156.5
235.688 7285
237.892 6366
240.093 5602.5
242.295 5069
244.497 4554.5
246.698 3914.5
248.897 3380.25
251.096 2919.5
253.295 2607.5
255.492 2370.5
257.69 2178.5
259.886 2088.25
262.083 1940.25
264.277 1848
266.473 1802
268.666 1721
270.86 1692
273.052 1633.5
275.245 1613
277.436 1552.5
279.626 1547.25
281.816 1485.5
284.006 1454.75
286.194 1419.25
288.382 1389
290.569 1376.25
292.757 1383.5
294.943 1335.25
297.128 1331
299.313 1319
301.497 1295.75
303.68 1262.25
305.863 1233.5
308.045 1233.5
310.227 1237.5
312.408 1211.25
314.588 1220
316.768 1213
318.947 1185.5
321.125 1172.25
323.302 1179.25
325.479 1206.5
327.656 1152
329.832 1179
332.007 1172.25
334.181 1155
336.355 1130.25
338.528 1153.25
340.7 1146.25
342.872 1142.5
345.043 1171.75
347.214 1180.75
349.383 1232
351.553 1299.5
353.721 1314.25
355.889 1382.75
358.056 1428.75
360.224 1383
362.389 1316
364.554 1316.25
366.72 1286.5
368.883 1245.5
371.046 1205.5
373.209 1164.5
375.372 1126
377.533 1115.75
379.694 1091.5
381.854 1095
384.013 1110.25
386.172 1106.25
388.33 1108.5
390.487 1127.25
392.644 1100
394.801 1092.5
396.957 1098.25
399.112 1093.75
401.266 1103
403.42 1082.5
405.574 1114.5
407.726 1119
409.878 1125.5
412.029 1135.25
414.179 1155
416.33 1191.5
418.48 1218.5
420.627 1220
422.776 1231.25
424.922 1236
427.07 1251.75
429.216 1241.75
431.361 1276
433.507 1331.5
435.65 1327
437.794 1352.5
439.937 1298.25
442.078 1276
444.221 1263
446.361 1272.25
448.503 1267
450.642 1266.5
452.781 1287.5
454.919 1274
457.058 1321
459.195 1330.5
461.331 1382
463.467 1434.75
465.602 1524.5
467.737 1638.75
469.871 1839.75
472.004 2183.25
474.137 2927.5
476.269 4482
478.401 6665.25
480.532 8338.75
482.662 8707.25
484.792 8230.75
486.921 7967.5
489.05 7561.75
491.178 6345
493.304 4693.25
495.431 3184.75
497.557 2240.5
499.682 1839.75
501.806 1601.5
503.931 1470.25
506.054 1391
508.176 1302
510.299 1273.25
512.42 1261.5
514.541 1175.75
516.661 1202
518.781 1178
520.9 1175
523.019 1149.25
525.136 1156.25
527.253 1134.25
529.37 1180.75
531.485 1150.25
533.6 1122
535.714 1183
537.83 1184.75
539.943 1201
542.055 1188.25
544.167 1226
546.278 1216
548.389 1237.5
550.499 1211.5
552.609 1232.75
554.718 1240
556.826 1269.75
558.934 1347.25
561.041 1474
563.148 1677
565.254 1917.5
567.359 2094.25
569.464 2180.25
571.569 2192.75
573.671 2264.75
575.774 2289
577.877 2392
579.977 2476
582.079 2366.5
584.18 2091.5
586.279 1809.25
588.378 1587.25
590.476 1457
592.574 1395.5
594.671 1308.5
596.768 1282.5
598.864 1273.75
600.96 1247.25
603.054 1220.25
605.148 1196.5
607.242 1158
609.335 1201
611.427 1182.5
613.519 1169
615.61 1180
617.7 1171.25
619.79 1151.75
621.879 1155
623.968 1199.5
626.055 1169
628.144 1178.75
630.231 1156
632.317 1181
634.403 1178.25
636.486 1168.75
638.571 1157.75
640.655 1155.25
642.738 1143.75
644.821 1137.25
646.903 1128.75
648.984 1144.25
651.064 1164
653.144 1174
655.224 1139
657.302 1113.25
659.381 1141.25
661.459 1125.25
663.535 1119
665.612 1130
667.687 1140.25
669.763 1137.75
671.837 1179.75
673.912 1162
675.985 1180.25
678.058 1184.25
680.13 1185.25
682.201 1206
684.273 1203.25
686.343 1222
688.412 1186
690.481 1179.25
692.551 1163.75
694.618 1141.5
696.686 1120.5
698.752 1112.5
700.818 1079
702.883 1076.25
704.948 1064
707.013 1071.25
709.076 1057
711.139 1071.75
713.202 1060.5
715.264 1032.5
717.326 1031.5
719.385 1056.5
721.445 1071
723.505 1049.75
725.564 1014.25
727.623 1048.75
729.68 1036.75
731.737 1043
733.794 1045.5
735.849 1053.75
737.905 1028.25
739.959 1040.75
742.014 1030.25
744.067 1042.75
746.12 1032.5
748.172 1051
750.224 1031
752.275 1026.25
754.325 1055
756.376 1006
758.424 1050.25
760.473 1040.75
762.521 1043.5
764.569 1060.75
766.616 1051.5
768.662 1060.5
770.707 1054.75
772.752 1077.75
774.797 1087.5
776.841 1102.25
778.884 1111.5
780.927 1125
782.969 1132.5
785.01 1121
787.051 1118
789.092 1085.75
791.132 1074.75
793.171 1097
795.209 1077.75
797.247 1057.5
799.285 1077.75
801.322 1067
803.357 1090.25
805.393 1082.25
807.428 1088.25
809.463 1076.5
811.497 1080
813.529 1089
815.563 1073.75
817.594 1080
819.625 1077.5
821.657 1078.5
823.687 1068.75
825.717 1085.5
827.746 1084.75
829.774 1089.5
831.801 1102.5
833.83 1095.5
835.856 1060.25
837.882 1075.5
839.908 1073.5
841.932 1093.5
843.957 1099.75
845.982 1100.25
848.005 1114.5
850.027 1086.5
852.05 1078.75
854.07 1104.75
856.091 1084.5
858.111 1105.75
860.131 1128.75
862.15 1128.75
864.169 1130
866.187 1156.5
868.204 1162
870.221 1195.75
872.238 1274
874.252 1504.5
876.268 1865.5
878.283 2244.25
880.296 2511.25
882.31 2835
884.322 3510.75
886.335 4657.25
888.345 5981.5
890.356 6546.5
892.367 5874.75
894.376 4385.75
896.386 2945.5
898.395 2365
900.402 2405.25
902.409 2985.5
904.417 4394
906.423 7123.25
908.429 9914.25
910.434 10865.8
912.438 9058.25
914.442 5851
916.445 3388
918.448 2130.5
920.451 1627.5
922.452 1420.75
924.453 1334.5
926.454 1308.75
928.454 1291.5
930.454 1288.25
932.451 1261.75
934.45 1269.5
936.448 1233
938.445 1228
940.441 1214
942.437 1192
944.433 1209.25
946.427 1189
948.422 1207
950.415 1247.75
952.408 1243.5
954.4 1274
956.393 1278
958.383 1266
960.374 1283.5
962.365 1276
964.354 1267.75
966.342 1281
968.332 1244
970.319 1214
972.306 1207.5
974.293 1222.25
976.279 1169.25
978.265 1176
980.25 1150.75
982.234 1132.5
984.218 1114.75
986.202 1146.25
988.184 1122
990.166 1142
992.147 1179.25
994.128 1188.5
996.109 1219.25
998.089 1196.5
1000.07 1194.5
1002.05 1168.25
1004.02 1139
1006 1116.5
1007.98 1110.5
1009.96 1103
1011.93 1084.25
1013.91 1074.25
1015.88 1067.75
1017.86 1093.75
1019.83 1090.75
1021.8 1069.75
1023.77 1070.25
1025.75 1095
1027.72 1063.75
1029.69 1057.75
1031.66 1073
1033.63 1075.75
1035.6 1079.5
1037.57 1061.75
1039.53 1093.5
1041.5 1077.25
1043.47 1103
1045.43 1089
1047.4 1071.75
1049.36 1094
1051.33 1099.5
1053.29 1113
1055.26 1124.75
1057.22 1111.25
1059.18 1122.25
1061.14 1091.75
1063.11 1121
1065.06 1115.25
1067.03 1094.75
1068.98 1101.5
1070.94 1098
1072.9 1110
1074.86 1110.5
1076.82 1091.75
1078.77 1102.25
1080.73 1077.75
1082.69 1066.75
1084.64 1078.25
1086.59 1099.75
1088.55 1074.75
1090.5 1080.75
1092.45 1094.25
1094.41 1075.5
1096.36 1071
1098.31 1076
1100.26 1079
1102.21 1086.75
1104.16 1075.25
1106.11 1096.75
1108.06 1065.25
1110 1059.75
1111.95 1079
1113.9 1075.25
1115.84 1082.75
1117.79 1080
1119.73 1097
1121.68 1096
1123.62 1056.5
1125.57 1085.75
1127.51 1080
1129.45 1057
1131.39 1096.5
1133.33 1076.5
1135.27 1078.75
1137.21 1082.75
1139.15 1068.5
1141.09 1075.5
1143.03 1096
1144.97 1055.25
1146.9 1067.75
1148.84 1096
1150.78 1092.25
1152.71 1088
1154.65 1080.5
1156.58 1060.25
1158.52 1067.75
1160.45 1078.5
1162.38 1088.25
1164.31 1095.5
1166.25 1101
1168.18 1088
1170.11 1091
1172.04 1071.5
1173.97 1072
1175.9 1075.75
1177.83 1066.25
1179.75 1063.5
1181.68 1078.25
1183.61 1057.25
1185.53 1080
1187.46 1071.25
1189.38 1072.5
1191.31 1042.5
1193.23 1077.25
1195.16 1079.25
1197.08 1076
1199 1083
1200.92 1090
1202.84 1054
1204.76 1068
1206.68 1073.25
1208.6 1058
1210.52 1074.25
1212.44 1053.75
1214.36 1076
1216.28 1071.75
1218.19 1085
1220.11 1073.75
1222.03 1089.25
1223.94 1071.75
1225.86 1084.75
1227.77 1088.5
1229.68 1069.5
1231.6 1094.5
1233.51 1063.5
1235.42 1067
1237.33 1084.5
1239.24 1072.5
1241.15 1086.75
1243.06 1075.75
1244.97 1091.75
1246.88 1062.5
1248.79 1096.75
1250.7 1080.25
1252.6 1090.5
1254.51 1079.75
1256.42 1058.25
1258.32 1078.25
1260.23 1064.25
1262.13 1090.25
1264.04 1078
1265.94 1072.75
1267.84 1110.5
1269.74 1089.25
1271.64 1077
1273.55 1082
1275.45 1073.5
1277.35 1086
1279.25 1080.25
1281.14 1086
1283.04 1090.5
1284.94 1081
1286.84 1090
1288.74 1093.25
1290.63 1093.25
1292.53 1116.75
1294.42 1118.75
1296.32 1075.25
1298.21 1109.75
1300.11 1097.5
1302 1109.5
1303.89 1088.5
1305.78 1102.5
1307.67 1100.25
1309.57 1110.5
1311.46 1086.75
1313.34 1119.25
1315.23 1115
1317.12 1135
1319.01 1158.25
1320.9 1179
1322.79 1241.75
1324.67 1311.5
1326.56 1393
1328.45 1465.5
1330.33 1512.5
1332.21 1439.75
1334.1 1325.75
1335.98 1231.25
1337.86 1215.25
1339.75 1203.75
1341.63 1206.5
1343.51 1205.75
1345.39 1236
1347.27 1261.75
1349.15 1327.75
1351.03 1381.25
1352.91 1398.25
1354.79 1435.75
1356.66 1414.75
1358.54 1398.25
1360.42 1378.25
1362.29 1352.25
1364.17 1308.5
1366.04 1336.25
1367.92 1332.75
1369.79 1352
1371.67 1404.25
1373.54 1479.75
1375.41 1521
1377.28 1526
1379.15 1539.25
1381.03 1528.75
1382.9 1524.75
1384.76 1488
1386.63 1445.5
1388.5 1416.25
1390.37 1356
1392.24 1325.5
1394.11 1279.75
1395.97 1262.5
1397.84 1264.75
1399.7 1225
1401.57 1229.75
1403.43 1246
1405.3 1195.75
1407.16 1226.5
1409.02 1250.5
1410.89 1259.5
1412.75 1288.5
1414.61 1270
1416.47 1312.25
1418.33 1361.75
1420.19 1358.25
1422.05 1404
1423.91 1439.75
1425.77 1469
1427.62 1506
1429.48 1562.5
1431.34 1581.25
1433.19 1649.5
1435.05 1705
1436.9 1794.25
1438.76 1837.75
1440.61 1974.25
1442.47 2109
1444.32 2319.25
1446.17 2556.75
1448.02 2889.25
1449.87 3403.25
1451.73 4110.5
1453.58 5211.5
1455.42 6642.75
1457.27 8069.25
1459.12 9067.25
1460.97 9443
1462.82 9013
1464.67 8307.75
1466.51 7322.5
1468.36 6264.75
1470.2 5451
1472.05 5279
1473.89 5901.75
1475.74 7446.5
1477.58 9581.5
1479.42 11819
1481.27 13706.3
1483.11 14901
1484.95 15294.8
1486.79 14520
1488.63 12974
1490.47 10569.8
1492.31 7994.25
1494.15 5666.5
1495.99 4018
1497.83 3002
1499.66 2467.75
1501.5 2104.75
1503.34 1895.5
1505.17 1794
1507.01 1691.75
1508.84 1638
1510.68 1574.5
1512.51 1546.25
1514.35 1510.5
1516.18 1510.5
1518.01 1460
1519.84 1431
1521.67 1432.25
1523.5 1374.25
1525.33 1361
1527.16 1382.75
1528.99 1344.75
1530.82 1344.25
1532.65 1324.75
1534.48 1332.5
1536.3 1306.5
1538.13 1276
1539.96 1313.5
1541.78 1290.5
1543.61 1298.25
1545.43 1273.75
1547.26 1262.25
1549.08 1252.75
1550.9 1267.5
1552.73 1252.75
1554.55 1248.75
1556.37 1234.5
1558.19 1235.5
1560.01 1250
1561.83 1232.25
1563.65 1269.25
1565.47 1245
1567.29 1269.25
1569.11 1264.5
1570.92 1273
1572.74 1246.5
1574.56 1210.5
1576.37 1261.25
1578.19 1238.5
1580 1238.75
1581.82 1220.25
1583.63 1232.5
1585.45 1259
1587.26 1286.5
1589.07 1348.25
1590.88 1362
1592.69 1415.5
1594.51 1461
1596.32 1572
1598.13 1782.25
1599.94 2026.5
1601.74 2336
1603.55 2657.5
1605.36 2797.75
1607.17 2858.5
1608.97 2881.5
1610.78 3045.5
1612.59 3356
1614.39 3623
1616.2 3631.5
1618 3297.75
1619.81 2734.5
1621.61 2237.5
1623.41 1930.75
1625.21 1742
1627.02 1600.75
1628.82 1531.75
1630.62 1408
1632.42 1385.5
1634.22 1345
1636.02 1353.25
1637.82 1335
1639.61 1295.75
1641.41 1278.75
1643.21 1267.75
1645.01 1269.5
1646.8 1253
1648.6 1243.5
1650.39 1247
1652.19 1274.75
1653.98 1308.75
1655.78 1319.5
1657.57 1308.5
1659.36 1272.5
1661.16 1228.5
1662.95 1237.5
1664.74 1189.5
1666.53 1162.75
1668.32 1157
1670.11 1141.25
1671.9 1136
1673.69 1178.5
1675.48 1135.25
1677.26 1151.5
1679.05 1166
1680.84 1160.5
1682.63 1145.75
1684.41 1125
1686.2 1140.75
1687.98 1124.75
1689.77 1123.5
1691.55 1117.5
1693.33 1132.5
1695.12 1108.75
1696.9 1120.25
1698.68 1116.75
1700.46 1107.5
1702.24 1104.25
1704.02 1106.75
1705.8 1102.75
1707.58 1124
1709.36 1095
1711.14 1074.75
1712.92 1062
1714.7 1103.25
1716.47 1112
1718.25 1089.25
1720.03 1106.25
1721.8 1090
1723.58 1079
1725.35 1093.75
1727.13 1075
1728.9 1083.5
1730.67 1079.5
1732.44 1103
1734.22 1069.5
1735.99 1086.25
1737.76 1091.75
1739.53 1141.5
1741.3 1232
1743.07 1273.75
1744.84 1377.25
1746.61 1382.75
1748.38 1396.25
1750.14 1385.25
1751.91 1304.75
1753.68 1252.5
1755.44 1225.5
1757.21 1181.75
1758.98 1215.75
1760.74 1243.75
1762.5 1234.75
1764.27 1204.5
1766.03 1183.25
1767.79 1152
1769.56 1106.25
1771.32 1107.5
1773.08 1079.5
1774.84 1074.5
1776.6 1064.75
1778.36 1041.5
1780.12 1043.5
1781.88 1056.5
1783.64 1023.5
1785.4 1048.25
1787.15 1029.25
1788.91 1052.75
1790.67 1046
1792.42 1045.25
1794.18 1051.25
1795.93 1057.25
1797.69 1058.25
1799.44 1057.75
1801.2 1071.5
1802.95 1062.75
1804.7 1070.25
1806.46 1071.25
1808.21 1053.75
1809.96 1044
1811.71 1063.25
1813.46 1038.5
1815.21 1027.25
1816.96 1018
1818.71 1016
1820.46 1005
1822.2 1014.75
1823.95 1022.25
1825.7 1026
1827.44 1014.75
1829.19 1014.25
1830.94 1005
1832.68 1002.5
1834.42 1015.5
1836.17 1012
1837.91 999.25
1839.66 995.75
1841.4 999.75
1843.14 1017
1844.88 1001.75
1846.62 1004.5
1848.36 997.5
1850.1 1003.75
1851.84 990.5
1853.58 986.25
1855.32 992.75
1857.06 985.25
1858.8 985.5
1860.54 974
1862.27 995.25
1864.01 992.75
1865.74 990
1867.48 1008.5
1869.22 992.75
1870.95 996.5
1872.68 980.5
1874.42 980.75
1876.15 977.75
1877.88 975.75
1879.61 983.25
1881.35 994.75
1883.08 978
1884.81 976
1886.54 996
1888.27 972
1890 955.25
1891.73 987.25
1893.45 960.75
1895.18 979
1896.91 975
1898.64 984
1900.36 991.75
1902.09 960.75
1903.81 950.25
1905.54 962
1907.26 981.75
1908.99 964.25
1910.71 981.25
1912.43 995.5
1914.16 988.5
1915.88 958.25
1917.6 963.25
1919.32 973.25
1921.04 980.75
1922.76 973.75
1924.48 982.25
1926.2 990.25
1927.92 991.75
1929.64 984.25
1931.36 981.5
1933.08 978
1934.79 969.75
1936.51 973.25
1938.23 981
1939.94 976
1941.66 977.25
1943.37 961
1945.08 983.5
1946.8 984.5
1948.51 957.5
1950.22 970.25
1951.94 967.25
1953.65 980.25
1955.36 976.25
1957.07 950.5
1958.78 973.75
1960.49 995.75
1962.2 984.5
1963.91 978.25
1965.62 965
1967.33 982.25
1969.03 963.25
1970.74 965.25
1972.45 960
1974.15 975.5
1975.86 978
1977.56 965.5
1979.27 966.5
1980.97 937
1982.68 955.5
1984.38 967
1986.08 962.75
1987.79 939
1989.49 946.25
1991.19 955
1992.89 934.75
1994.59 948.5
1996.29 947
1997.99 961.75
1999.69 971.25
