#------------------------------------------------------------------------------
#$Date: 2018-09-06 11:50:40 +0300 (Thu, 06 Sep 2018) $
#$Revision: 1281 $
#$URL: svn://172.16.1.111/rod/cif/3/50/02/3500219.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_3500219
loop_
_publ_author_name
'Kumar, A.'
'Cassetta, M.'
'El Mendili, Y.'
'Zanatta, M.'
'Daldosso, N.'
'Mariotto, G.'
_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 Verona'
_raman_measurement_device.company Horiba
_raman_measurement_device.model  LabRamHR800
_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 1
_raman_measurement_device.power_on_sample 6
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1.5
_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 2018-01-23
_rod_data_source.file            BaC4O4.txt
_rod_data_source.block           0000001
_rod_database.code               3500219
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
150.04601 2108.4001
151.323 2197.2
152.59801 2386.8
153.87399 2541.3999
155.151 2662
156.425 2629.8
157.701 2541.2
158.97701 2444.6001
160.25101 2309.2
161.526 2228.3999
162.80099 2138
164.075 2070.6001
165.349 2055.3999
166.62399 2074.3999
167.896 2072.8
169.17101 2018.2
170.44299 1934.6001
171.716 1832.1998
172.98801 1698.8002
174.26199 1592.8
175.535 1467
176.806 1456.4
178.078 1419.2
179.349 1418.3999
180.621 1429.6
181.892 1507.8
183.164 1616.6
184.43401 1761
185.705 1968.8
186.97501 2168.2
188.246 2243
189.515 2261.2002
190.785 2221.4001
192.054 2259.2
193.32401 2289.3997
194.593 2286
195.862 2219.8003
197.13 2144.3999
198.39799 2018.2001
199.66701 1922.9999
200.93401 1827.1998
202.203 1770.6001
203.47 1684.6
204.737 1638.4
206.005 1572.6
207.271 1532.2
208.539 1487.9999
209.80499 1442.8002
211.07001 1398.4
212.33701 1402.6
213.603 1390
214.868 1480
216.134 1572.8
217.399 1651.4
218.66299 1767.2
219.929 1805
221.19299 1834
222.457 1819.8
223.72099 1791.6
224.98599 1696.0001
226.24899 1605.2
227.51199 1515.8
228.776 1422.8002
230.039 1356.2
231.30099 1329.8
232.564 1260.7999
233.827 1208.6
235.089 1152.2
236.351 1115.2
237.612 1059.2
238.873 998
240.136 945.40002
241.397 894.59998
242.657 870.79993
243.918 825.20001
245.17799 813.19995
246.438 804.40002
247.698 775.80005
248.959 764.59998
250.218 764.59998
251.47701 740.59991
252.73599 724.79999
253.995 745.59998
255.25301 719
256.51199 706.59998
257.76999 723.40002
259.02802 689.20001
260.28699 701.59998
261.54501 692.79999
262.802 690.40002
264.05899 680.20001
265.31601 685
266.573 692.59991
267.82901 680.20001
269.086 671.80005
270.34201 690.19995
271.59799 681.79999
272.853 653.40002
274.10901 673.40002
275.36401 672.59998
276.61899 663.20001
277.87399 663.60004
279.129 654
280.383 656.40002
281.638 660
282.89001 653.79999
284.14401 629.00006
285.39801 658.59991
286.651 644
287.905 651
289.15799 646.59998
290.41 642.59998
291.66299 643.79999
292.91599 662
294.168 640.79993
295.418 645
296.67001 641.20001
297.922 657
299.173 638.59998
300.42499 644.40002
301.67599 643.40002
302.92499 647.40009
304.17599 640.59998
305.42599 638.59998
306.677 640.59998
307.927 641.79999
309.17499 629.39996
310.42499 647.59998
311.67401 645.59998
312.923 642.79999
314.17099 663.59998
315.42001 634.40009
316.668 636.40002
317.91699 655.99994
319.16299 638.00006
320.41101 648
321.659 646.79993
322.905 640.20007
324.15302 642.40002
325.39999 643.40002
326.647 649.79993
327.89301 647.40009
329.13901 636.79999
330.384 658
331.63 635.79999
332.87601 640
334.121 657.19995
335.366 640.39996
336.612 644.00006
337.85599 645.40002
339.10101 658.40002
340.34399 671.20007
341.58899 653.59998
342.83301 669.79999
344.07599 670.59998
345.32001 735.40002
346.56201 961.79999
347.806 990.40002
349.048 979.20007
350.29099 838.79993
351.53201 705.99994
352.77499 691.59998
354.01599 684.20001
355.259 685.19995
356.5 667.80005
357.742 693
358.98199 687.20001
360.224 652.40002
361.46399 676
362.70499 648.59998
363.944 657.39996
365.185 654.20001
366.42401 638.40002
367.66299 646
368.90399 648.59998
370.142 643.40002
371.38199 633.59998
372.62 647.40002
373.858 628
375.09698 662.20001
376.33499 649.79999
377.57401 640.40002
378.811 645.40002
380.048 642.59998
381.28601 654.19995
382.52301 630.79999
383.759 631
384.99701 636.20001
386.233 631
387.46799 635.40002
388.70401 620
389.94101 646.79999
391.17599 648.40002
392.41101 652.20001
393.647 657.79999
394.88199 646.20001
396.116 637
397.35101 637.39996
398.58499 641.20001
399.82001 646.60004
401.05301 635.40002
402.28699 654.20001
403.51999 649.59998
404.755 652.59998
405.987 673.99994
407.22 652.20007
408.452 670
409.685 672.40002
410.91699 660.79999
412.14899 666.40002
413.38199 660.79999
414.61301 689.40002
415.84399 670.20001
417.07501 677.20001
418.306 667.99994
419.53699 680.59998
420.767 702.20007
421.99799 678.20001
423.228 687.79999
424.45901 687.40002
425.689 680.79999
426.918 695.79999
428.147 716.20001
429.37601 695.79999
430.60501 713.20001
431.83401 679.80005
433.06299 684.20001
434.29099 679.59991
435.51901 689.40002
436.74701 673.60004
437.97501 679.59998
439.202 669.20001
440.42899 687
441.65601 693.40002
442.883 672.20001
444.10999 683.79999
445.33499 678.60004
446.56201 688.79999
447.78799 681.20001
449.01401 686.20001
450.23901 700
451.465 700.39996
452.69 705.40002
453.91501 708.79999
455.14001 732.20001
456.36499 725
457.58801 729
458.81299 751.40002
460.03699 762.80005
461.26099 783.99994
462.48499 832.59998
463.70801 872.40009
464.92999 928.40002
466.15302 1035.4
467.37601 1190.0001
468.599 1465
469.82001 1833.8002
471.043 2220
472.26501 2378.3999
473.487 2280.8
474.70901 2110.2
475.92899 2051.3999
477.151 2071.6001
478.37201 2169.7998
479.59201 2216.6001
480.81201 2109.6001
482.03299 1843.1998
483.254 1542.4
484.47198 1279.4
485.69299 1062.2
486.91199 966.79993
488.13101 870.59998
489.35001 834.59991
490.56799 790.40002
491.78699 793.40009
493.00601 744.59998
494.22299 743.59998
495.44199 707.39996
496.66 727.20001
497.87701 723.20001
499.095 691
500.311 698.59998
501.52899 675.59998
502.745 707
503.96201 663.40002
505.17899 671.20001
506.39401 692.59991
507.61099 686.79999
508.82599 679
510.04199 680.79999
511.25699 674.79999
512.47302 674.00006
513.68701 685.59998
514.90198 682.79999
516.11603 661.59991
517.33099 680.20001
518.54498 656.00006
519.75897 652.19995
520.97198 665.79999
522.185 675.59998
523.39899 697
524.612 678.59998
525.82501 687.00006
527.03802 686.39996
528.24902 696.20001
529.46301 691.79999
530.67401 682
531.88702 684.59998
533.09802 702.20007
534.30902 691.59998
535.521 707.60004
536.73199 683
537.94202 691
539.15399 711
540.36298 685
541.573 702.59998
542.784 695.20001
543.99402 688.20001
545.203 695.79999
546.41199 704
547.62201 702.20001
548.83099 728.40002
550.039 707
551.24701 726.20001
552.45697 737.40002
553.66498 749.40009
554.87201 765.40002
556.08002 803.19995
557.289 860.40002
558.49597 870.79999
559.703 877.00006
560.909 858.59991
562.11603 870.59998
563.32202 869.60004
564.53003 867.59991
565.73602 869
566.94202 877.59998
568.14697 896
569.35303 905.79999
570.55798 917.59998
571.763 921.99994
572.96802 912.79993
574.17401 871.59998
575.37799 823.79999
576.58197 791.40002
577.78601 762.40002
578.98999 737.79993
580.19397 752.20007
581.39697 737
582.60101 725.40002
583.80402 716.79999
585.00702 706.59991
586.20898 703.20001
587.41199 688.20001
588.61401 705.59991
589.81598 697.59998
591.01801 705.59998
592.21997 697
593.422 677.40002
594.62299 702.40009
595.82397 701.59998
597.02502 714.59991
598.22601 689.40002
599.427 680.79999
600.62598 682.59998
601.82599 681
603.026 653.79999
604.22601 678.20007
605.42603 686.79999
606.625 670
607.82397 684.40002
609.02301 693.40002
610.22101 679.40009
611.41998 680.79999
612.61798 685.39996
613.81702 686.20001
615.01501 675.20007
616.21301 684.59998
617.409 677.79993
618.60699 676.20007
619.80402 667.40002
621.00098 677.60004
622.19702 687.40002
623.39398 676.40002
624.591 680.40002
625.78699 688.79999
626.98199 692
628.17798 656.20001
629.37402 665.39996
630.57001 664.40009
631.76398 657.20001
632.95898 666.59998
634.15399 677.34546
635.34802 677.34546
636.54199 677.34546
637.737 729.40002
638.92999 657.20001
640.12402 662.59991
641.31799 682.59998
642.51099 688.79999
643.70398 677.79999
644.896 680.80005
646.09003 692.20001
647.28302 667.79999
648.474 682.59998
649.66699 698.39996
650.85797 672.79999
652.04999 676.59998
653.24103 668.40002
654.43298 684
655.62299 666.79999
656.815 671.39996
658.00598 681
659.19598 666
660.38702 677.79999
661.57703 670.40002
662.76599 690.79999
663.95599 692
665.14502 690.00006
666.33502 700.59991
667.52399 688.59991
668.71399 683.00006
669.90198 702
671.091 698.59998
672.27899 720.20001
673.466 712.39996
674.65503 704
675.84198 707.20001
677.03101 709.20001
678.21802 716.59998
679.40399 693.40009
680.59198 696.40002
681.77802 686
682.96399 701.00006
684.15198 679.40002
685.33698 678
686.52301 679.99994
687.71002 681.20001
688.89502 689.20001
690.08002 684.20001
691.26599 677
692.45001 687
693.63501 680.59991
694.81897 672
696.00403 673
697.18799 672.19995
698.37201 668.40002
699.55499 686.40002
700.73901 677
701.92297 687.20001
703.10602 664.20001
704.289 668
705.47101 687.20001
706.65399 678
707.83698 689.59998
709.01898 643.20001
710.20099 667.79999
711.383 670
712.56403 650.20007
713.745 648
714.927 682.79999
716.10901 666.59998
717.289 656.20001
718.46997 677.79999
719.65002 674.59998
720.83002 663.20001
722.01001 656.79999
723.19 648.40009
724.37 661.40002
725.54901 667
726.72803 660.20007
727.90698 672.79999
729.086 658.79999
730.26501 681.59998
731.44299 648.59998
732.62201 672.20001
733.79999 660
734.97803 661.40002
736.15503 657.40009
737.33301 654.79999
738.51001 656.40002
739.68799 662.20007
740.86499 675.40002
742.04102 667.59998
743.21802 672.40002
744.39502 684.20001
745.56897 666.40002
746.745 681
747.92102 648.79999
749.09698 674.00006
750.27301 673.79999
751.448 666.79999
752.62299 657.59998
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760.841 661
762.01501 663.19995
763.18903 663.00006
764.362 684.40002
765.534 677.99994
766.70697 670.20001
767.88 678.40002
769.05103 682.40002
770.22302 695.40009
771.39502 684.79993
772.56799 681.00006
773.73798 695.40002
774.90997 684.59998
776.08099 679.40002
777.25098 681.59998
778.422 681.79999
779.59302 672.59998
780.763 674.40002
781.93298 682
783.10199 674.40002
784.27301 675.59998
785.44299 667.79999
786.61102 666
787.78101 668.19995
788.94897 669.40002
790.11798 683.20007
791.28699 650.79999
792.45502 663.40002
793.62402 683.79999
794.79102 677.59998
795.95898 676.40009
797.12598 667.79999
798.29401 672.79999
799.461 657.79999
800.62799 668.79993
801.79498 657.39996
802.96198 642.40009
804.12799 678.40002
805.29498 661.79993
806.46002 671.79999
807.62701 663.79999
808.79199 676.79999
809.95599 673.79999
811.12299 672
812.28699 669.79999
813.453 664.20007
814.617 675
815.78101 671
816.94598 669.20001
818.10999 668.40002
819.27301 670.00006
820.43799 652.79999
821.60101 673
822.763 682.79999
823.92798 660.20001
825.09003 655.19995
826.25201 665.20001
827.41602 691
828.578 667.40002
829.73999 645.59998
830.901 650.59998
832.06403 662.40002
833.22498 669.79999
834.38599 688.79993
835.547 672.79999
836.70898 670
837.87 666.79999
839.03003 655.00006
840.19 677
841.34998 661.39996
842.51202 685.60004
843.67102 692.39996
844.83099 663.39996
845.98999 683.40002
847.14899 668.20001
848.30798 690
849.46802 682.20001
850.62701 666.20001
851.78497 681
852.94299 662.00006
854.10101 677.79999
855.25897 691.79999
856.41699 678.20001
857.57397 676.20001
858.73102 677.40009
859.888 670.59998
861.04498 685.59998
862.20203 713.20001
863.35901 691.79999
864.51501 741.19995
865.67102 747
866.82703 783.79999
867.98297 869.59998
869.13898 890.00006
870.29401 916.99994
871.45001 961.39996
872.60498 986.79999
873.76001 959.40002
874.91498 998.40009
876.06897 1173.8
877.224 1391
878.37799 1556.8
879.53198 1665.4
880.68597 1763
881.84003 1791.2001
882.992 1682.2
884.14502 1388.4
885.29797 1102.8
886.45099 945.79993
887.604 879.99994
888.75702 851.00006
889.90802 872.40002
891.06 912.40002
892.21198 956.40002
893.36401 1034.6
894.51599 1132.6001
895.66602 1362
896.81799 1642
897.96899 2205.2
899.12 2972.2
900.26898 3517.9998
901.41998 3552
902.57098 2969.6001
903.72101 2112.3999
904.87 1519.2
906.02002 1205
907.16998 976.99994
908.31799 886.80005
909.46698 811.99994
910.617 767.59998
911.76398 765.20001
912.91302 750.80005
914.06201 734.80005
915.20898 721.20001
916.35797 710.79993
917.50403 694.20007
918.65198 709.20001
919.79999 701.59998
920.94702 710
922.09399 711
923.23999 716.19995
924.38702 700.59998
925.53302 693.40002
926.67999 709.40002
927.82501 696.59998
928.97101 683.40002
930.11603 688.40002
931.26202 688.40009
932.40698 692.20001
933.55298 695.40002
934.69702 705.40002
935.84198 701.59998
936.98602 698.20001
938.13098 711.40002
939.27502 711.20001
940.41901 717.79999
941.56201 716.59998
942.70502 699.39996
943.84998 723.79999
944.992 723.40002
946.13599 709.99994
947.27802 705.20007
948.41998 719.59998
949.56403 740.79999
950.70502 713.79999
951.84698 706.59998
952.98999 702.40002
954.13098 723
955.27197 713.79993
956.414 699.59998
957.55499 707.59998
958.69501 713.40002
959.83698 706.40009
960.97699 718
962.117 695.59991
963.25702 694.79999
964.39801 714.59998
965.53699 699.59998
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