#------------------------------------------------------------------------------
#$Date: 2018-09-06 12:29:47 +0300 (Thu, 06 Sep 2018) $
#$Revision: 1292 $
#$URL: svn://172.16.1.111/rod/cif/3/50/02/3500229.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_3500229
loop_
_publ_author_name
'Kumar, A.'
'Cassetta, M.'
'El Mendili, Y.'
'Zanatta, M.'
'Daldosso, N.'
'Mariotto, G.'
_publ_section_title
;
 Raman spectrum of commercial CaO2
;
_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 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 2018-01-22
_rod_data_source.file            CaO2.txt
_rod_data_source.block           0000001
_rod_database.code               3500229
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
150.04601 736
151.323 693.59998
152.59801 706
153.87399 698.20001
155.151 692.40002
156.425 684.79999
157.701 686.40002
158.97701 673.20001
160.25101 655.20001
161.526 678.59998
162.80099 644.59998
164.075 661.79999
165.349 653.20001
166.62399 664.79999
167.896 656.40002
169.17101 684.20001
170.44299 688.59998
171.716 688.40002
172.98801 708.40002
174.26199 727.79999
175.535 733.20001
176.806 740
178.078 757.40002
179.349 730
180.621 719.40002
181.892 733.59998
183.164 704.79999
184.43401 703.20001
185.705 706.20001
186.97501 686.59998
188.246 682
189.515 661
190.785 691.59998
192.054 667.59998
193.32401 680.40002
194.593 691.20001
195.862 693.40002
197.13 707.79999
198.39799 700.20001
199.66701 694.20001
200.93401 707
202.203 718
203.47 729
204.737 744.79999
206.005 757.20001
207.271 768.79999
208.539 774.79999
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211.07001 794
212.33701 788.59998
213.603 752.40002
214.868 767.59998
216.134 758.40002
217.399 748.20001
218.66299 762
219.929 755.40002
221.19299 746.40002
222.457 745.20001
223.72099 743
224.98599 731.40002
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227.51199 722.79999
228.776 713.59998
230.039 692.20001
231.30099 683.79999
232.564 686
233.827 676.59998
235.089 697.20001
236.351 689.59998
237.612 700.79999
238.873 701.40002
240.136 724
241.397 709.59998
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243.918 741.20001
245.17799 740.79999
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248.959 790.40002
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252.73599 835.20001
253.995 845.20001
255.25301 868.79999
256.51199 870
257.76999 929.59998
259.02802 918.40002
260.28699 936.59998
261.54501 978.79999
262.802 1017.6
264.05899 1011
265.31601 1015
266.573 1014.6
267.82901 1019.4
269.086 1015
270.34201 997.59998
271.59799 1019.8
272.853 988.79999
274.10901 979
275.36401 969.79999
276.61899 941.79999
277.87399 927.40002
279.129 920.59998
280.383 908.40002
281.638 919
282.89001 892.20001
284.14401 901
285.39801 904
286.651 940.59998
287.905 941.40002
289.15799 938
290.41 945
291.66299 983.20001
292.91599 990
294.168 1036.2
295.418 1078.8
296.67001 1108.4
297.922 1174.6
299.173 1183.4
300.42499 1248.4
301.67599 1253.8
302.92499 1272
304.17599 1268.2
305.42599 1245
306.677 1192.2
307.927 1161.8
309.17499 1126.6
310.42499 1088
311.67401 1046.2
312.923 991.79999
314.17099 967.59998
315.42001 930.79999
316.668 903.20001
317.91699 888.59998
319.16299 841.79999
320.41101 835.79999
321.659 821.40002
322.905 834.79999
324.15302 807.20001
325.39999 807.20001
326.647 796
327.89301 788.20001
329.13901 801.40002
330.384 792.59998
331.63 841
332.87601 800.59998
334.121 808
335.366 820.20001
336.612 817.20001
337.85599 798.40002
339.10101 803.20001
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341.58899 799.59998
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349.048 836.20001
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355.259 700.20001
356.5 691.59998
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358.98199 655.20001
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363.944 599.59998
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367.66299 571.59998
368.90399 553.79999
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371.38199 556.79999
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373.858 542.40002
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376.33499 531.79999
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402.28699 510.79999
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522.185 485
523.39899 494.39999
524.612 501.39999
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527.03802 485.20001
528.24902 501.20001
529.46301 505.20001
530.67401 496.39999
531.88702 502.20001
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537.94202 486.39999
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540.36298 498.79999
541.573 489.20001
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546.41199 499.79999
547.62201 523.59998
548.83099 485.39999
550.039 507
551.24701 503.39999
552.45697 498.20001
553.66498 501.60001
554.87201 503
556.08002 491.60001
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558.49597 509.60001
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560.909 494.79999
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565.73602 498.20001
566.94202 509.60001
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569.35303 497.79999
570.55798 492.20001
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572.96802 500.60001
574.17401 510.39999
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578.98999 500.60001
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581.39697 510.20001
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585.00702 515.95557
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587.41199 497.60001
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613.81702 504.79999
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616.21301 509.60001
617.409 512
618.60699 509
619.80402 506
621.00098 504.79999
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623.39398 502.20001
624.591 505.20001
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662.76599 516.59998
663.95599 525.20001
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666.33502 533.40002
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668.71399 526
669.90198 534.40002
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673.466 526.59998
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680.59198 525.20001
681.77802 513.20001
682.96399 537.40002
684.15198 543.59998
685.33698 556.40002
686.52301 555.20001
687.71002 537.20001
688.89502 526.59998
690.08002 499.39999
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705.47101 496.20001
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710.20099 494.20001
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712.56403 487.39999
713.745 492.60001
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716.10901 504.20001
717.289 510.60001
718.46997 495.39999
719.65002 503.60001
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723.19 497.20001
724.37 494.79999
725.54901 506.39999
726.72803 497.79999
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729.086 507
730.26501 511.39999
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751.448 695.59998
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816.94598 776
818.10999 814.20001
819.27301 831.40002
820.43799 863.59998
821.60101 928.20001
822.763 969.40002
823.92798 1045.2
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826.25201 1201.6
827.41602 1309.2
828.578 1462.6
829.73999 1595
830.901 1739.2
832.06403 1844.2
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835.547 2025.8
836.70898 2106.8
837.87 2237
839.03003 2350.2
840.19 2363.2
841.34998 2306.2
842.51202 2190.2
843.67102 2064.8
844.83099 1932.2
845.98999 1841
847.14899 1752
848.30798 1660.8
849.46802 1572.6
850.62701 1480.8
851.78497 1405.4
852.94299 1289
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855.25897 1140.2
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858.73102 949.20001
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861.04498 861.79999
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866.82703 711.40002
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942.70502 503.39999
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967.81598 501.20001
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1000.78 504
1001.91 502.20001
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1004.18 513.20001
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1006.44 512.79999
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1010.98 511.60001
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1080.8199 1695.6
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