#------------------------------------------------------------------------------
#$Date: 2018-09-06 12:25:06 +0300 (Thu, 06 Sep 2018) $
#$Revision: 1288 $
#$URL: svn://172.16.1.111/rod/cif/3/50/02/3500225.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_3500225
loop_
_publ_author_name
'Kumar, A.'
'Cassetta, M.'
'El Mendili, Y.'
'Zanatta, M.'
'Daldosso, N.'
'Mariotto, G.'
_publ_section_title
;
 Raman spectrum of commercial CaH8N2O10
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2018
_chemical_compound_source        'commercial Merk pur'
_chemical_formula_structural     'Ca H8 N2 O10'
_chemical_formula_sum            'Ca H8 N2 O10'
_chemical_name_mineral           Nitrocalcite
_chemical_name_systematic        'Calcium nitrate tetrahydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.22(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2786(7)
_cell_length_b                   9.1551(5)
_cell_length_c                   14.8999(12)
_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 100
_raman_measurement.datetime_initiated 2018-01-22
_rod_data_source.file            CaNO324H2O.txt
_rod_data_source.block           0000001
_rod_database.code               3500225
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 1001741 COD http://www.crystallography.net/cod/1001741.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
150.04601 7393.7998
151.323 7772.6001
152.59801 8509.7998
153.87399 9095
155.151 9389.5996
156.425 10014.6
157.701 10658.801
158.97701 11142.8
160.25101 11664
161.526 11924.601
162.80099 12009.799
164.075 11867.8
165.349 11619.2
166.62399 11050.801
167.896 10442.6
169.17101 9770.5996
170.44299 8977.6006
171.716 8337.999
172.98801 7562.6001
174.26199 6850.2007
175.535 6414.5996
176.806 5878.4004
178.078 5391.3999
179.349 4977.1997
180.621 4597
181.892 4372
183.164 4059.6003
184.43401 3885.8
185.705 3673
186.97501 3524.0002
188.246 3335.3999
189.515 3211.3999
190.785 3084
192.054 2942.6001
193.32401 2874.2
194.593 2736.1997
195.862 2612.6001
197.13 2532.2002
198.39799 2480.3999
199.66701 2402
200.93401 2351.9998
202.203 2270.8003
203.47 2218
204.737 2172.8
206.005 2109.3999
207.271 2110.7998
208.539 1978.7999
209.80499 1974.6
211.07001 1924.8
212.33701 1849.6
213.603 1866.4
214.868 1816.8
216.134 1772
217.399 1710.8
218.66299 1688
219.929 1684.6
221.19299 1635
222.457 1608.9999
223.72099 1572.2001
224.98599 1569.8
226.24899 1543.8
227.51199 1535
228.776 1488.2
230.039 1464.4
231.30099 1483.0001
232.564 1444
233.827 1403.8
235.089 1415.8
236.351 1374.8
237.612 1374.6
238.873 1377.8
240.136 1372
241.397 1389.0001
242.657 1386.6
243.918 1348.6
245.17799 1393.2
246.438 1328.6
247.698 1315.8
248.959 1301.3999
250.218 1330
251.47701 1303.6
252.73599 1268.6
253.995 1277.2
255.25301 1231.2
256.51199 1230.6
257.76999 1238.6
259.02802 1204.4
260.28699 1205.9999
261.54501 1189.4
262.802 1182.6001
264.05899 1160
265.31601 1167.8
266.573 1136.4
267.82901 1137.2
269.086 1109.8
270.34201 1117.2
271.59799 1120.8
272.853 1069.8
274.10901 1083.2
275.36401 1072
276.61899 1060
277.87399 1053.8
279.129 1044.2
280.383 1050.8
281.638 1031.6
282.89001 1012.6
284.14401 1002.4
285.39801 1001
286.651 1010.8
287.905 999.40002
289.15799 985.59998
290.41 956.40009
291.66299 948.19995
292.91599 970.40009
294.168 975.79993
295.418 948.40002
296.67001 945.40002
297.922 937.59998
299.173 944.40002
300.42499 916.79993
301.67599 924.59998
302.92499 943.59998
304.17599 906
305.42599 926.39996
306.677 915.59998
307.927 894.40002
309.17499 892.79999
310.42499 899.00006
311.67401 896.40002
312.923 874
314.17099 904.79993
315.42001 872.40002
316.668 878.79999
317.91699 861.79993
319.16299 881.20007
320.41101 851
321.659 876.79999
322.905 864.60004
324.15302 870.40002
325.39999 873.20001
326.647 872.99994
327.89301 857.40002
329.13901 856.20001
330.384 849.99994
331.63 847.40002
332.87601 830.59998
334.121 862
335.366 854.39996
336.612 827.59998
337.85599 831.40002
339.10101 838
340.34399 843.79999
341.58899 828.40009
342.83301 843.20001
344.07599 855.95532
345.32001 855.95532
346.56201 847.89319
347.806 847.89319
349.048 847.89319
350.29099 855.95532
351.53201 847.89319
352.77499 848.98328
354.01599 859.89996
355.259 859.89996
356.5 859.89996
357.742 848.98328
358.98199 812.99994
360.224 833.59998
361.46399 822.00006
362.70499 827.79999
363.944 814.99994
365.185 819.60004
366.42401 820.59998
367.66299 821.20001
368.90399 819.79999
370.142 846
371.38199 825
372.62 816.59998
373.858 849.59998
375.09698 828.80005
376.33499 832.59991
377.57401 826.40009
378.811 818.59998
380.048 829.20001
381.28601 828.59991
382.52301 825.40002
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384.99701 829.20001
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388.70401 807.59998
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391.17599 834
392.41101 821.79999
393.647 806.79999
394.88199 823
396.116 825.40002
397.35101 815
398.58499 820.60004
399.82001 813.40009
401.05301 833.79999
402.28699 815.79999
403.51999 827.40002
404.755 819.20001
405.987 831.20001
407.22 831.20007
408.452 825.59998
409.685 821.79999
410.91699 809
412.14899 811.00006
413.38199 835.40002
414.61301 817.19995
415.84399 830.20001
417.07501 806.79993
418.306 810.59998
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421.99799 821.40002
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424.45901 810.59998
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428.147 814.40002
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437.97501 805.59998
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440.42899 801.40002
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442.883 821.59998
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445.33499 819
446.56201 805.59991
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451.465 799.19995
452.69 801
453.91501 784
455.14001 780.59998
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457.58801 787.20001
458.81299 800.20001
460.03699 816.20001
461.26099 781.99994
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464.92999 791.79999
466.15302 784
467.37601 811.80005
468.599 783.99994
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471.043 803.20007
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475.92899 789.99994
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479.59201 803.79993
480.81201 795.59998
482.03299 784.79993
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484.47198 801.20001
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489.35001 785
490.56799 776.59998
491.78699 780.20007
493.00601 801.59998
494.22299 782.59998
495.44199 786.79999
496.66 792.19995
497.87701 797.80005
499.095 792.40002
500.311 790.79999
501.52899 795
502.745 785.79993
503.96201 792.79999
505.17899 811.40009
506.39401 788.99994
507.61099 793.59998
508.82599 796.40009
510.04199 799.59998
511.25699 804.79999
512.47302 825.59998
513.68701 798.79999
514.90198 793
516.11603 808.59991
517.33099 783.79999
518.54498 793.00006
519.75897 808.20001
520.97198 807
522.185 809.20007
523.39899 818.40002
524.612 794.20001
525.82501 816.20007
527.03802 809.40002
528.24902 805.59998
529.46301 819
530.67401 805.19995
531.88702 806.59998
533.09802 837.80005
534.30902 828.40002
535.521 838
536.73199 834.40002
537.94202 824.20001
539.15399 814.40002
540.36298 836.79993
541.573 825.19995
542.784 810.59998
543.99402 813.59991
545.203 817.59998
546.41199 829.60004
547.62201 834.79999
548.83099 828.59998
550.039 839.80005
551.24701 828.20001
552.45697 835.79999
553.66498 804.40002
554.87201 839.40002
556.08002 821.80005
557.289 835.60004
558.49597 834.79999
559.703 833.80005
560.909 817.19995
562.11603 832
563.32202 849.59998
564.53003 842.79999
565.73602 841.59998
566.94202 856.59998
568.14697 857.99994
569.35303 831.40002
570.55798 846.00006
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574.17401 838.20007
575.37799 843.79999
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578.98999 837.39996
580.19397 859.40002
581.39697 840.79993
582.60101 864.20001
583.80402 855.59998
585.00702 858.40002
586.20898 841.00006
587.41199 854.00006
588.61401 852.59998
589.81598 844.60004
591.01801 866.20001
592.21997 855.59998
593.422 854.20001
594.62299 855.20001
595.82397 851.20001
597.02502 850.40002
598.22601 841.20001
599.427 846.79993
600.62598 852.20001
601.82599 858.19995
603.026 852.40002
604.22601 835
605.42603 843.19995
606.625 839.79999
607.82397 846
609.02301 851.59991
610.22101 832.20001
611.41998 829.20007
612.61798 841.20001
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616.21301 836.59998
617.409 862.79999
618.60699 838.40002
619.80402 839.79993
621.00098 828.40002
622.19702 835.79999
623.39398 792.79999
624.591 811.20001
625.78699 840
626.98199 813.40002
628.17798 812.40002
629.37402 799.59991
630.57001 793.79999
631.76398 802.20007
632.95898 777.39996
634.15399 799
635.34802 777.00006
636.54199 792.99994
637.737 789.79999
638.92999 770.40009
640.12402 765.40002
641.31799 782.79999
642.51099 774.20001
643.70398 758.59998
644.896 783.80005
646.09003 774.20001
647.28302 748.40002
648.474 770.79999
649.66699 756.19995
650.85797 774.79999
652.04999 756
653.24103 734
654.43298 746.40002
655.62299 773
656.815 743.79999
658.00598 748
659.19598 746.79999
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662.76599 747.40009
663.95599 722.20001
665.14502 740.40002
666.33502 723.40002
667.52399 757
668.71399 744.60004
669.90198 730
671.091 741
672.27899 709.80005
673.466 713.20001
674.65503 718.79999
675.84198 726.79999
677.03101 734.79993
678.21802 727
679.40399 714.20001
680.59198 730.60278
681.77802 758.21387
682.96399 730.60278
684.15198 736.59998
685.33698 730.60278
686.52301 730.60278
687.71002 722
688.89502 722.00006
690.08002 710.59991
691.26599 720.79999
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696.00403 717.59998
697.18799 690.59991
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703.10602 723.20007
704.289 720.40002
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707.83698 767.20001
709.01898 766.59998
710.20099 769.99994
711.383 814.59998
712.56403 829
713.745 924.99994
714.927 951.59998
716.10901 1044.6
717.289 1038
718.46997 1041
719.65002 1014.0001
720.83002 1023.6
722.01001 1012.2
723.19 919.00006
724.37 879.79999
725.54901 837.59998
726.72803 817.20007
727.90698 800.40002
729.086 772.79999
730.26501 770.19995
731.44299 764.40002
732.62201 750.00006
733.79999 780.40002
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737.33301 806.20001
738.51001 839.59998
739.68799 934.20001
740.86499 1043.8
742.04102 1172.6
743.21802 1268
744.39502 1321
745.56897 1358
746.745 1517.4
747.92102 1768.2
749.09698 1879.0001
750.27301 1686
751.448 1350.8
752.62299 1074.2
753.797 929.59998
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756.146 787.79999
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760.841 713.19995
762.01501 708.19995
763.18903 715
764.362 695.40002
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766.70697 681.59998
767.88 671.79999
769.05103 705
770.22302 697.59998
771.39502 678.59998
772.56799 663.40002
773.73798 664
774.90997 679.40002
776.08099 688.79999
777.25098 685.20001
778.422 669.20001
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780.763 667.79999
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783.10199 690
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795.95898 670.20001
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804.12799 664
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807.62701 661.40002
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821.60101 702.20001
822.763 690.40002
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827.41602 708.19995
828.578 684.59991
829.73999 684.40002
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832.06403 671.20001
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841.34998 661.19995
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851.78497 660.08569
852.94299 660.08569
854.10101 657.40002
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857.57397 656.39996
858.73102 650.40002
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861.04498 640.59998
862.20203 657.40009
863.35901 656.19995
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867.98297 642.40002
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877.224 647
878.37799 669.20007
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880.68597 660.40002
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884.14502 668.65002
885.29797 654.40002
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887.604 655.40002
888.75702 661.59998
889.90802 673.59998
891.06 681.39996
892.21198 670
893.36401 669.20001
894.51599 672.40002
895.66602 658.79999
896.81799 676.40002
897.96899 666.00006
899.12 665.79999
900.26898 647.40002
901.41998 673.40002
902.57098 655.40002
903.72101 658.79993
904.87 671.60004
906.02002 701.59998
907.16998 651.59998
908.31799 645
909.46698 652.40002
910.617 657.79999
911.76398 668.59998
912.91302 659.40002
914.06201 658.40009
915.20898 655.40002
916.35797 666.20001
917.50403 645
918.65198 668.59998
919.79999 684.79999
920.94702 666.20001
922.09399 658.79999
923.23999 655
924.38702 673.40009
925.53302 650.20001
926.67999 673.79999
927.82501 665.59998
928.97101 677
930.11603 656.99994
931.26202 659.79999
932.40698 645.40002
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934.69702 667.59998
935.84198 670.40002
936.98602 676.59998
938.13098 657.20001
939.27502 674.79999
940.41901 675.20001
941.56201 671.20001
942.70502 671.59991
943.84998 667.79999
944.992 666.79999
946.13599 675
947.27802 677.59998
948.41998 692.59998
949.56403 676.20001
950.70502 679.59998
951.84698 663.59998
952.98999 675.40002
954.13098 682.79999
955.27197 679.59998
956.414 668.40009
957.55499 690.20001
958.69501 669.20001
959.83698 673.59998
960.97699 655.59998
962.117 673.79999
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