#------------------------------------------------------------------------------
#$Date: 2019-06-12 15:24:45 +0300 (Wed, 12 Jun 2019) $
#$Revision: 1341 $
#$URL: svn://172.16.1.111/rod/cif/3/50/02/3500273.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_3500273
loop_
_publ_author_name
'Kumar, A.'
'Zanatta, M.'
'Nazzareni, S'
'Daldosso, N.'
'Mariotto, G.'
_publ_section_title
;
 Raman spectrum of CaH4O6S
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2019
_chemical_compound_source
'natural'__chemical_formula_structural     'Ca (S O4) (H2 O)2'
_chemical_formula_sum            'Ca H4 O6 S'
_chemical_name_mineral           Gypsum
_chemical_name_systematic        'Calcium sulfate dihydrate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 151.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.47
_cell_length_b                   15.15
_cell_length_c                   6.51
_cell_volume                     491.9
_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
'Thermo Scientific_raman_measurement_device.model DXR2'
_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 8
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1.5
_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 2019-02-05
_rod_data_source.file            CaSO4H2O2.txt
_rod_data_source.block
/var/www/html/rod/tmp/uploads/1560342102.1837-06A4055A28351D0A.rod
_rod_database.code               3500273
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 1010981 COD http://www.crystallography.net/cod/1010981.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.raw_intensity
_raman_spectrum.intensity
50.781132 21.262159 19.431557
51.745361 20.81918 18.887852
52.709591 20.580879 18.549353
53.673828 20.53088 18.399677
54.638062 20.635941 18.405586
55.602291 20.88184 18.552855
56.566528 21.384979 18.957884
57.530762 22.089781 19.56509
58.494999 22.55463 19.932863
59.459229 22.69368 19.975349
60.423458 22.514521 19.70014
61.387699 22.147499 19.237579
62.351929 21.726089 18.72114
63.316158 21.200171 18.100698
64.280403 20.59119 17.397701
65.244629 20.11323 16.826229
66.208862 19.732759 16.352751
67.173103 19.45505 15.982532
68.137329 19.323021 15.758495
69.101563 19.42322 15.767183
70.065804 19.844641 16.097589
71.030029 20.544849 16.707279
71.994263 21.05452 17.126923
72.958504 21.3936 17.376467
73.922729 21.56698 17.4608
74.886963 21.588289 17.393551
75.851196 21.373131 17.090321
76.81543 20.80455 16.434153
77.779663 19.977791 15.520288
78.743896 19.593719 15.049594
79.70813 19.917061 15.286793
80.672363 20.827259 16.111326
81.636597 21.70303 16.901911
82.60083 22.122499 17.236668
83.565063 21.976801 17.006729
84.529297 21.45804 16.404202
85.49353 21.34486 16.207726
86.457764 21.970881 16.750917
87.421997 23.16357 17.861246
88.38623 24.27523 18.891012
89.350456 25.06712 19.601471
90.314697 25.51565 19.969032
91.278931 25.69928 20.072155
92.243156 25.820629 20.113457
93.207397 25.78406 19.997295
94.171631 25.62183 19.755932
95.135857 25.584829 19.640251
96.10009 25.643141 19.620337
97.064323 25.780371 19.679792
98.028557 26.106449 19.928547
98.99279 26.766291 20.511513
99.957024 27.52457 21.193363
100.9213 28.464121 22.056927
101.8855 30.494921 24.01219
102.8497 33.578411 27.020586
103.814 37.713921 31.081434
104.7782 42.973621 36.266922
105.7424 50.064732 43.284256
106.7067 60.526878 53.673054
107.6709 74.267487 67.340759
108.6351 83.225632 76.226433
109.5994 86.521553 79.45031
110.5636 84.213402 77.070549
111.5278 79.185303 71.971275
112.4921 73.138206 65.853416
113.4563 65.489616 58.134499
114.4205 56.53101 49.105988
115.3848 49.854778 42.360271
116.349 45.77935 38.215786
117.3132 44.15358 36.521381
118.2775 43.80658 36.106155
119.2417 44.327461 36.559235
120.2059 45.783691 37.948082
121.1702 48.071781 40.169193
122.1344 50.736382 42.767235
123.0986 53.087749 45.052456
124.0629 55.176239 47.075203
125.0271 59.061531 50.895168
125.9913 65.639229 57.407944
126.9556 75.189407 66.893608
127.9198 86.788712 78.428802
128.884 98.847183 90.423561
129.8483 113.3958 104.90887
130.8125 130.907 122.35716
131.7767 142.2876 133.67525
132.741 145.52 136.84554
133.7052 139.9836 131.24742
134.6694 129.789 120.9915
135.6337 119.4417 110.58327
136.5979 107.9834 99.06443
137.5621 95.142807 86.163696
138.5264 86.70768 77.6688
139.4906 83.592957 74.494713
140.4548 86.080528 76.923302
141.4191 90.626022 81.410187
142.3833 95.426109 86.152061
143.3475 101.1521 91.820221
144.3118 107.5343 98.144958
145.276 110.3756 100.92919
146.2402 108.3661 98.862984
147.2045 101.6971 92.137665
148.1687 93.704361 84.088982
149.1329 85.026787 75.355835
150.0972 75.337173 65.611023
151.0614 65.23056 55.449577
152.0256 56.764931 46.929493
152.9899 50.342941 40.453407
153.9541 46.181511 36.238255
154.9183 42.654758 32.65815
155.8826 39.66795 29.618343
156.8468 37.22361 27.121376
157.811 35.308029 25.153528
158.7753 33.960899 23.754488
159.7395 33.309669 23.05171
160.7037 33.479141 23.169992
161.668 33.656712 23.296726
162.6322 33.709911 23.299448
163.59641 33.567001 23.106415
164.5607 33.626781 23.116419
165.5249 34.19944 23.639658
166.48911 35.345951 24.737099
167.4534 37.056591 26.399014
168.4176 38.9319 28.225948
169.38181 40.603161 29.849182
170.3461 41.876961 31.075294
171.3103 44.09259 33.243584
172.27451 47.68219 36.786186
173.2388 52.717331 41.77467
174.203 59.081959 48.092979
175.16721 66.512383 55.477428
176.1315 75.644279 64.563683
177.0957 87.33239 76.20649
178.05991 97.538612 86.367744
179.0242 106.9191 95.70359
179.9884 116.1497 104.88988
180.95261 123.1479 111.84412
181.9169 124.9043 113.55687
182.8811 120.141 108.75025
183.84531 107.6421 96.208366
184.8096 96.142242 84.665848
185.7738 85.45874 73.94001
186.73801 75.476387 63.915638
187.7023 66.528053 54.92561
188.6665 58.79805 47.15424
189.63071 52.42046 40.7356
190.595 47.317429 35.591835
191.5592 42.898701 31.132698
192.52341 39.29763 27.491531
193.4877 36.50695 24.661066
194.4519 34.251438 22.366087
195.41611 32.554482 20.629976
196.3804 31.50581 19.542458
197.3446 30.94022 18.938335
198.30881 30.55134 18.511232
199.2731 30.32848 18.250454
200.2373 30.262051 18.146416
201.20151 30.446051 18.293114
202.1658 30.785 18.59506
203.13 31.18429 18.957655
204.09419 31.93955 19.676523
205.0585 33.339481 21.040358
206.02271 35.588242 23.253326
206.98689 38.70512 26.334711
207.9512 41.521191 29.115582
208.91541 44.12104 31.680531
209.87959 46.761921 34.286804
210.8439 48.68745 36.17802
211.80811 49.730679 37.187229
212.77229 49.814892 37.237717
213.7366 49.056831 36.446217
214.70081 47.69236 35.048599
215.66499 45.49514 32.818523
216.6293 41.874569 29.165377
217.59351 38.858509 26.117031
218.55769 36.55444 23.780962
219.522 35.251591 22.446394
220.48621 34.27388 21.437248
221.45039 33.087688 20.219906
222.4147 31.610109 18.711451
223.37891 29.80995 16.880697
224.34309 28.16654 15.206973
225.3074 26.67277 13.683162
226.27161 25.23597 12.2166
227.23579 24.047461 10.998606
228.2001 23.20075 10.122679
229.16431 22.85483 9.747818
230.12849 22.822729 9.6870489
231.0928 22.59486 9.4307785
232.05701 22.100389 8.9081802
233.02119 21.091459 7.8713894
233.9855 20.32452 7.0768542
234.94971 19.817739 6.5427465
235.91389 19.674709 6.3726549
236.8782 19.68128 6.3524246
237.84241 19.69528 6.33989
238.80659 19.737459 6.3557963
239.7709 19.81386 6.4061818
240.73511 19.827499 6.3940692
241.6993 19.734409 6.2754855
242.6636 19.42923 5.9450674
243.62781 19.199789 5.6906471
244.592 19.112921 5.5790553
245.5563 19.26272 5.7043829
246.52049 19.5369 5.9543467
247.4847 19.69055 6.0840335
248.44901 19.687531 6.0572996
249.41319 19.407909 5.7542171
250.3774 19.22275 5.545845
251.34171 19.1472 5.4473281
252.30589 19.3069 5.584312
253.2701 19.457701 5.7126422
254.23441 19.45928 5.6919937
255.19859 19.221741 5.4324737
256.16281 18.74921 4.9382052
257.12711 18.44313 4.6106272
258.09131 18.318911 4.4651527
259.05551 18.46105 4.586278
260.01981 18.664301 4.7687511
260.98401 18.935221 5.019134
261.94821 19.391359 5.4549723
262.91251 19.873171 5.916718
263.87671 20.15889 6.1826081
264.84091 20.168699 6.1728234
265.80521 19.737789 5.7225499
266.76941 19.515961 5.4815922
267.73361 19.53059 5.4773235
268.69791 19.98033 5.9083934
269.66211 20.44157 6.3511958
270.62631 20.78594 6.6773558
271.59061 20.98521 6.8586411
272.55481 21.054729 6.9104037
273.51901 21.070921 6.9090638
274.48331 21.01174 6.8325744
275.44751 20.686689 6.4904404
276.41171 20.55489 6.3417797
277.37601 20.624029 6.3942785
278.34021 21.131491 6.8853211
279.30441 21.71081 7.448441
280.26871 22.110609 7.8322582
281.23291 22.222759 7.9286456
282.19711 21.992611 7.682951
283.16141 21.902309 7.5773177
284.12561 21.962851 7.6227436
285.08981 22.296499 7.9414911
286.05411 22.66721 8.2975121
287.01831 23.06455 8.6803761
287.98251 23.490129 9.0916901
288.94669 23.940769 9.5282755
289.91101 24.41094 9.9845991
290.87521 24.89814 10.458161
291.83939 25.41543 10.962023
292.80371 25.92099 11.454358
293.76791 26.418409 11.93876
294.73209 26.821301 12.328838
295.69641 27.288879 12.783807
296.66061 27.86105 13.343572
297.62479 28.451571 13.921888
298.58911 29.103331 14.561645
299.55331 30.01083 15.457341
300.51749 31.195471 16.630381
301.48181 32.909081 18.332584
302.44601 34.620079 20.032375
303.41019 36.345131 21.746416
304.37451 37.69289 23.083359
305.33871 39.22987 24.60972
306.30289 41.24205 26.611475
307.26721 44.146061 29.505251
308.23141 47.95507 33.304218
309.19559 51.249062 36.58836
310.15991 54.014591 39.344231
311.12411 56.00856 41.328732
312.08829 57.632858 42.943748
313.05261 58.87896 44.180756
314.01682 60.205639 45.498531
314.98099 61.03717 46.321342
315.94531 60.878792 46.15443
316.90948 59.34362 44.610909
317.87369 56.100849 41.359974
318.83801 52.97134 38.222481
319.80219 50.02726 35.270599
320.76639 47.316151 32.551872
321.73071 44.724548 29.952829
322.69489 42.23703 27.458052
323.65909 39.80957 25.02351
324.62341 37.48357 22.690605
325.58759 35.319641 20.519949
326.55179 33.30344 18.497198
327.51611 31.410219 16.597599
328.48029 29.753941 14.93512
329.44449 28.37574 13.550892
330.40881 27.365669 12.534966
331.37299 26.523001 11.686615
332.33719 25.803619 10.961722
333.30151 25.325529 10.47829
334.26569 24.99011 10.1377
335.22989 24.57164 9.7142267
336.19421 23.99114 9.1288919
337.15839 23.02466 8.1577444
338.12271 22.25503 7.3836112
339.08691 21.71769 6.8419352
340.05109 21.767691 6.8877654
341.01541 21.841721 6.9577875
341.97961 21.761881 6.8741035
342.94379 21.301229 6.4097705
343.90811 20.577061 5.6820812
344.87231 20.046551 5.148212
345.83649 19.79837 4.896832
346.80081 20.132179 5.2276006
347.76501 20.35964 5.4521794
348.72919 20.43734 5.5271549
349.69351 20.24346 5.3307076
350.65771 19.9685 5.0533371
351.62189 19.693581 4.7761617
352.58621 19.402161 4.4826403
353.55042 19.104139 4.1826715
354.51459 18.866579 3.9433174
355.47891 18.70627 3.7813663
356.44312 18.69458 3.7681856
357.40729 18.678699 3.7509656
358.37161 18.640409 3.7114854
359.33578 18.494431 3.5644665
360.29999 18.35673 3.4258733
361.26431 18.287849 3.3562493
362.22849 18.335871 3.4036736
363.19269 18.490379 3.5577316
364.15701 18.64613 3.7131767
365.12119 18.78721 3.8540974
366.08539 18.89649 3.9633608
367.04971 19.019871 4.0868683
368.01389 19.16522 4.2324877
368.97809 19.4618 4.529479
369.94241 19.72965 4.7978826
370.90659 19.862061 4.9309859
371.87079 19.68001 4.7497683
372.83511 19.212481 4.2832112
373.79929 18.88703 3.9588704
374.76349 18.80801 3.8810987
375.72781 19.299959 4.3744326
376.69199 19.728951 4.804945
377.65619 20.00699 5.084641
378.62051 19.94014 5.0195818
379.58469 19.790331 4.8716979
380.54889 19.715759 4.7991843
381.51321 19.80242 4.8880363
382.47739 20.038509 5.1264486
383.44159 20.27199 5.3623834
384.40591 20.45113 5.5441084
385.37009 20.39201 5.4877024
386.33429 20.46896 5.5674963
387.29861 20.735861 5.8373699
388.26279 21.61204 6.7166481
389.22699 22.529699 7.6375351
390.19131 23.149811 8.2610006
391.15549 23.078489 8.1931581
392.11969 22.408421 7.5266933
393.08401 21.94626 7.0682621
394.04819 21.921709 7.0475631
395.01239 22.629021 7.7588501
395.97672 23.492069 8.6259966
396.94089 24.359261 9.497407
397.90509 25.13698 10.279467
398.86938 25.959221 11.106169
399.83359 26.8983 12.049829
400.79779 27.80093 12.957158
401.76208 28.73893 13.899976
402.72629 30.098989 15.264972
403.69049 31.8529 17.023935
404.65479 33.43243 18.608635
405.61899 36.153351 21.334841
406.58319 40.339851 25.526741
407.54749 45.235729 30.428135
408.51169 51.824299 37.022331
409.47589 60.579819 45.783592
410.44019 74.881332 60.090961
411.40439 92.822647 78.038246
412.36859 108.033 93.254677
413.33289 118.638 103.86587
414.29709 124.6132 109.84736
415.26129 125.9368 111.17737
416.22559 122.2907 107.53779
417.18979 108.7354 93.989113
418.15399 93.118134 78.378578
419.11829 78.90522 64.172501
420.08249 67.039322 52.313545
421.04669 57.333912 42.615189
422.01099 49.366539 34.654972
422.97519 43.22298 28.518675
423.93939 39.319141 24.6222
424.90369 36.40995 21.720478
425.86789 34.050781 19.368879
426.83209 32.540539 17.866308
427.79639 31.39337 16.726913
428.76059 30.43601 15.777429
429.72479 29.5301 14.879493
430.68909 28.778419 14.135887
431.65329 28.330009 13.69565
432.61749 28.428301 13.802214
433.58179 29.210119 14.592402
434.54599 29.97385 15.3646
435.51019 30.41324 15.812554
436.47449 30.05686 15.464834
437.43869 29.61721 15.033939
438.40289 29.334551 14.76013
439.36719 29.30562 14.740145
440.33139 29.451941 14.895503
441.29559 29.69261 15.145304
442.25989 30.082041 15.543959
443.22409 30.630461 16.101696
444.18829 31.12817 16.608812
445.15259 31.45726 16.947401
446.11679 31.418739 16.918468
447.08099 31.351629 16.861038
448.04529 31.41604 16.935217
449.00949 31.533979 17.063011
449.97369 31.79775 17.336727
450.93799 32.284161 17.83317
451.90219 33.1744 18.73353
452.86639 34.410629 19.979963
453.83069 35.683681 21.263308
454.79489 36.83876 22.428762
455.75909 37.838711 23.439175
456.72339 38.737659 24.348669
457.68759 39.55143 25.173069
458.65179 39.940041 25.572392
459.61609 40.367649 26.010796
460.58029 41.130291 26.784313
461.54449 42.504341 28.169321
462.50879 44.334709 30.010731
463.47299 46.3064 31.993542
464.43719 48.188961 33.887299
465.40149 49.924728 35.634346
466.36569 51.77467 37.495644
467.3299 53.911812 39.644222
468.29419 56.139771 41.883698
469.25839 58.769749 44.525265
470.2226 61.9758 47.742985
471.18689 65.722771 51.501701
472.15109 70.035423 55.826172
473.1153 74.948898 60.751545
474.07959 80.188744 66.003365
475.04379 85.752563 71.579224
476.008 92.372917 78.2117
476.97229 100.3516 86.202576
477.93649 108.9644 94.827637
478.9007 119.5543 105.42987
479.86499 133.2874 119.17538
480.82919 147.64841 133.54886
481.7934 165.3311 151.24411
482.75769 188.7774 174.70303
483.72189 215.47881 201.41711
484.6861 247.0985 233.04956
485.65039 289.1756 275.1395
486.61459 347.1651 333.14191
487.5788 423.3605 409.35025
488.54309 510.71661 496.71939
489.50729 602.82202 588.83789
490.4715 731.76678 717.79584
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1930.072 3.6414499 1.2162036
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1932 3.507529 1.0835387
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1935.8571 3.2034991 0.78204453
1936.822 3.2751701 0.85435468
1937.786 3.391922 0.97174704
1938.75 3.4833 1.0637673
1939.714 3.5509851 1.1320966
1940.678 3.5732839 1.1550416
1941.6429 3.5064631 1.0888693
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1943.571 3.165303 0.74901104
1944.535 3.1511991 0.73556077
1945.5 3.249074 0.8340919
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1947.428 3.0587311 0.64506555
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1950.321 2.731987 0.32031107
1951.285 2.913337 0.50232774
1952.249 3.0115111 0.6011703
1953.214 3.0255129 0.61584318
1954.178 3.0054929 0.59649533
1955.142 2.9263771 0.51805341
1956.106 2.810493 0.40284514
1957.0699 2.8118351 0.40486485
1958.035 2.9874461 0.58115608
1958.999 3.232831 0.82722223
1959.963 3.3884809 0.9835552
1960.927 3.4458809 1.04164
1961.892 3.4427819 1.0392283
1962.856 3.3625059 0.95964074
1963.8199 3.1799631 0.77778816
1964.7841 3.1103821 0.7088992
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1967.677 3.5731361 1.1737404
1968.641 3.573952 1.1752553
1969.605 3.5138929 1.1158969
1970.5699 3.4319551 1.0346624
1971.5341 3.292928 0.89633954
1972.498 3.2146361 0.8187536
1973.462 3.2356441 0.84046924
1974.427 3.354388 0.95992327
1975.391 3.402838 1.0090843
1976.355 3.322716 0.92967516
1977.319 3.2067239 0.81439757
1978.2841 3.1594369 0.76782757
1979.248 3.260555 0.86966348
1980.212 3.3419249 0.9517529
1981.176 3.365566 0.97611523
1982.141 3.307303 0.9185757
1983.105 3.29281 0.90480721
1984.069 3.4339111 1.0466344
1985.033 3.597569 1.2110201
1985.9969 3.573792 1.1879725
1986.962 3.0003469 0.61525935
1987.926 2.5444679 0.16011298
1988.89 2.450047 0.066426396
1989.854 2.859551 0.47666615
1990.819 3.174253 0.79210639
1991.783 3.271323 0.88991535
1992.7469 3.2196391 0.83897209
1993.7111 3.169827 0.78990221
1994.676 3.149148 0.76996773
1995.64 3.1364131 0.75797814
1996.604 3.105763 0.72807485
1997.568 3.0106931 0.6337533
1998.532 3.005723 0.62953311
1999.4969 3.2289381 0.85350037
2000.4611 3.593333 1.2186483
2001.425 3.8340261 1.4600959
2002.389 3.7902031 1.4170287
2003.354 3.638418 1.2660017
2004.318 3.5091529 1.1374955
2005.282 3.4088769 1.0379798
2006.246 3.3302391 0.96010387
2007.2111 3.2372079 0.86783683
2008.175 3.14959 0.78098363
2009.139 3.158401 0.79056072
2010.103 3.445895 1.0788223
2011.068 3.7981861 1.4318831
2012.032 3.9487231 1.5831904
2012.996 3.8063011 1.4415402
2013.96 3.6159201 1.2519323
2014.924 3.560931 1.1977177
2015.889 3.622375 1.2599385
2016.853 3.62623 1.2645707
2017.817 3.377408 1.0165273
2018.781 3.02705 0.66694915
2019.746 2.888669 0.52935016
2020.71 3.060503 0.7019667
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2022.6379 3.399611 1.0426437
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2031.316 3.520031 1.1701883
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2100.741 4.0226049 1.7325025
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2102.6699 4.2362838 1.9478846
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