#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:24:40 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1260 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000490.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_1000490
loop_
_publ_author_name
'Rutt, H. N.'
'Nicola, J. H.'
_publ_section_title
;
 Raman spectra of carbonates of calcite structure
;
_journal_name_full               'Journal of Physics C Solid State Physics'
_journal_page_first              4522
_journal_page_last               4528
_journal_volume                  7
_journal_year                    1974
_chemical_compound_source        R050307
_chemical_formula_structural     Ca(CO3)
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0492
_cell_length_b                   5.0492
_cell_length_c                   17.3430
_cell_volume                     382.913
_exptl_crystal_density_diffrn    2.604
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9007286
_raman_determination_method      experimental
_raman_measurement_device.location 'Arizona University'
_raman_measurement_device.company 'Thermo Scientific'
_raman_measurement_device.model  'Nicolet Almega XR'
_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 0.5
_raman_measurement_device.excitation_laser_type other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1
_raman_measurement_device.diffraction_grating 400
_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
_rod_data_source.file            1000490.rod
_rod_data_source.block           1000490
_rod_database.code               1000490
loop_
_raman_complementary.id
_raman_complementary.method
1 XRD
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 neon_lamp
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 9007286 COD http://www.crystallography.net/cod/9007286.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
93.79987 0.0000000E+00
94.28198 2.126201
94.76410 3.656737
95.24622 3.939579
95.72833 3.885355
96.21045 3.126719
96.69257 2.225840
97.17468 1.803297
97.65680 1.379528
98.13892 1.178843
98.62103 1.083191
99.10315 1.291254
99.58527 0.6008300
100.0674 0.1306740
100.5495 0.1033850
101.0316 0.1248720
101.5137 0.1328680
101.9958 0.8401370
102.4780 1.243814
102.9601 0.9393120
103.4422 0.2710550
103.9243 0.8802930
104.4064 0.7513730
104.8885 0.1104410
105.3707 0.7417770
105.8528 2.157238
106.3349 3.261461
106.8170 3.612831
107.2991 2.399494
107.7813 1.990507
108.2634 2.926138
108.7455 4.750393
109.2276 5.866600
109.7097 5.564293
110.1918 5.082043
110.6740 4.933517
111.1561 4.960987
111.6382 5.512341
112.1203 6.701416
112.6024 8.490921
113.0845 10.54784
113.5667 13.28992
114.0488 16.01033
114.5309 18.27191
115.0130 19.11018
115.4951 20.26498
115.9772 22.44024
116.4594 25.64082
116.9415 28.75122
117.4236 31.36320
117.9057 33.67428
118.3878 35.88306
118.8699 38.11898
119.3521 40.26180
119.8342 42.14285
120.3163 43.70285
120.7984 45.54782
121.2805 48.14965
121.7626 51.28894
122.2448 54.57608
122.7269 58.55287
123.2090 62.24033
123.6911 64.45461
124.1732 64.81786
124.6553 64.77240
125.1375 65.60546
125.6196 67.12498
126.1017 68.72282
126.5838 69.71484
127.0659 70.59906
127.5480 72.22295
128.0302 74.68283
128.5123 77.99524
128.9944 82.27480
129.4765 87.49302
129.9586 93.37678
130.4407 99.85382
130.9229 106.8687
131.4050 114.1951
131.8871 121.4414
132.3692 129.0737
132.8513 137.9329
133.3334 147.6701
133.8156 157.5527
134.2977 167.4921
134.7798 178.2749
135.2619 190.4774
135.7440 205.0327
136.2261 220.9524
136.7083 234.7430
137.1904 246.2272
137.6725 256.4914
138.1546 266.4516
138.6367 275.9547
139.1188 286.3217
139.6010 298.4597
140.0831 312.3325
140.5652 324.4196
141.0473 334.0650
141.5294 343.0764
142.0115 353.5439
142.4937 365.6582
142.9758 378.9246
143.4579 393.4328
143.9400 409.2270
144.4221 425.4944
144.9042 441.6009
145.3864 458.5243
145.8685 477.4946
146.3506 498.3023
146.8327 521.4112
147.3148 547.2474
147.7969 575.8687
148.2791 606.6791
148.7612 637.9227
149.2433 671.2228
149.7254 711.2517
150.2075 759.6256
150.6896 813.2271
151.1718 870.6024
151.6539 933.7083
152.1360 997.7142
152.6181 1067.991
153.1002 1140.051
153.5823 1200.074
154.0645 1257.804
154.5466 1296.491
155.0287 1308.480
155.5108 1287.840
155.9929 1247.544
156.4750 1185.032
156.9572 1103.147
157.4393 1014.351
157.9214 910.0715
158.4035 805.6226
158.8856 710.2603
159.3677 625.9185
159.8499 550.4193
160.3320 484.8655
160.8141 428.6843
161.2962 378.5935
161.7783 334.1648
162.2604 295.4575
162.7426 262.4996
163.2247 237.7268
163.7068 216.4479
164.1889 196.6553
164.6710 178.5574
165.1531 162.7990
165.6353 150.7308
166.1174 140.8438
166.5995 131.4935
167.0816 121.5090
167.5637 112.2887
168.0458 105.0322
168.5280 99.79813
169.0101 94.86433
169.4922 88.94093
169.9743 82.72239
170.4564 77.21420
170.9385 73.41193
171.4207 70.14359
171.9028 66.26622
172.3849 61.72166
172.8670 57.33085
173.3491 53.71402
173.8312 50.67468
174.3134 47.82835
174.7955 44.63677
175.2776 41.72219
175.7597 40.15427
176.2418 40.13606
176.7239 40.15494
177.2061 38.52351
177.6882 35.75284
178.1703 33.25478
178.6524 32.13333
179.1345 31.59746
179.6166 30.09160
180.0988 27.32504
180.5809 24.62422
181.0630 23.83949
181.5451 24.54195
182.0272 25.02528
182.5093 24.12109
182.9915 22.36467
183.4736 21.14465
183.9557 20.65904
184.4378 20.30592
184.9199 19.24112
185.4020 17.54503
185.8842 15.70935
186.3663 13.70840
186.8484 11.73129
187.3305 10.76392
187.8126 11.17065
188.2947 11.82388
188.7769 10.53583
189.2590 7.413528
189.7411 4.681610
190.2232 3.908142
190.7053 4.780945
191.1874 5.265610
191.6696 5.165680
192.1517 4.703796
192.6338 4.268814
193.1159 3.863800
193.5980 3.411484
194.0801 2.708237
194.5623 1.799469
195.0444 1.472992
195.5265 2.014221
196.0086 2.863037
196.4907 2.658829
196.9728 1.268234
197.4550 6.2164001E-02
197.9371 0.4844670
198.4192 1.6602000E-02
198.9013 0.4216000
199.3834 0.6586760
199.8655 0.7330470
200.3477 0.6519010
200.8298 0.4025420
201.3119 4.7759999E-02
201.7940 0.3614960
202.2761 0.8168640
202.7582 1.485245
203.2404 2.571350
203.7225 3.738998
204.2046 3.951126
204.6867 3.007935
205.1688 1.788132
205.6509 0.7676700
206.1331 7.7271000E-02
206.6152 0.6188960
207.0973 0.8143620
207.5794 0.7182770
208.0615 0.5009310
208.5436 0.1846770
209.0258 0.3121340
209.5079 1.118774
209.9900 2.345123
210.4721 3.446732
210.9542 4.649536
211.4363 5.611160
211.9185 4.842850
212.4006 1.493195
212.8827 1.760590
213.3648 3.092621
213.8469 1.995941
214.3290 0.9205930
214.8112 1.1750000E-03
215.2933 0.7607420
215.7754 1.380463
216.2575 1.964874
216.7396 2.214035
217.2217 1.841782
217.7038 0.5478670
218.1860 0.4186400
218.6681 0.8485870
219.1502 0.9053960
219.6323 1.262192
220.1144 2.270935
220.5965 2.970215
221.0787 2.612350
221.5608 0.4840390
222.0429 0.7274930
222.5250 0.6467900
223.0071 0.4443050
223.4892 1.591324
223.9714 3.112930
224.4535 4.216782
224.9356 4.300537
225.4177 2.534302
225.8998 1.787170
226.3819 2.463791
226.8641 4.222824
227.3462 5.846512
227.8283 7.156982
228.3104 8.596924
228.7925 10.51823
229.2746 13.67572
229.7568 15.58064
230.2389 15.63835
230.7210 14.48476
231.2031 14.14517
231.6852 14.95232
232.1673 16.07506
232.6495 17.02715
233.1316 17.32698
233.6137 18.55920
234.0958 20.97588
234.5779 24.28510
235.0600 27.73415
235.5422 31.81706
236.0243 35.38440
236.5064 37.76707
236.9885 37.97014
237.4706 39.25061
237.9527 42.11723
238.4349 45.90945
238.9170 48.89398
239.3991 50.49603
239.8812 52.14969
240.3633 54.53525
240.8454 58.15222
241.3276 61.19958
241.8097 63.18918
242.2918 64.74780
242.7739 67.23610
243.2560 70.92755
243.7381 75.12704
244.2203 79.59064
244.7024 84.30569
245.1845 89.35141
245.6666 94.93137
246.1487 100.7345
246.6308 106.1475
247.1130 110.4219
247.5951 115.5675
248.0772 122.4048
248.5593 131.5171
249.0414 140.3091
249.5235 148.6823
250.0057 156.7801
250.4878 164.8801
250.9699 172.5251
251.4520 181.0146
251.9341 190.6352
252.4162 201.4422
252.8984 213.3835
253.3805 226.8347
253.8626 241.2466
254.3447 255.3483
254.8268 268.9036
255.3089 283.0065
255.7911 297.5517
256.2732 312.4371
256.7553 329.4660
257.2374 348.9575
257.7195 370.3579
258.2017 392.8622
258.6838 416.1934
259.1659 441.6801
259.6480 469.9471
260.1301 500.7630
260.6122 533.6247
261.0944 568.5706
261.5765 605.6752
262.0586 645.4487
262.5407 688.3912
263.0228 732.5120
263.5049 776.9286
263.9871 822.0385
264.4692 867.8973
264.9513 914.7667
265.4334 962.5998
265.9155 1012.586
266.3976 1064.381
266.8798 1116.304
267.3619 1166.890
267.8440 1217.021
268.3261 1270.325
268.8082 1326.884
269.2903 1386.151
269.7725 1447.513
270.2546 1510.328
270.7367 1574.784
271.2188 1639.550
271.7009 1705.425
272.1830 1777.655
272.6652 1856.180
273.1473 1939.742
273.6294 2028.384
274.1115 2122.024
274.5936 2220.974
275.0757 2325.598
275.5579 2436.245
276.0400 2551.772
276.5221 2673.077
277.0042 2795.398
277.4863 2917.729
277.9684 3040.585
278.4506 3157.588
278.9327 3271.383
279.4148 3375.210
279.8969 3457.658
280.3790 3519.775
280.8611 3553.766
281.3433 3557.111
281.8254 3529.631
282.3075 3466.556
282.7896 3366.105
283.2717 3233.670
283.7538 3070.844
284.2360 2876.741
284.7181 2675.887
285.2002 2475.482
285.6823 2276.208
286.1644 2081.585
286.6465 1891.891
287.1287 1712.290
287.6108 1550.782
288.0929 1407.052
288.5750 1275.774
289.0571 1155.138
289.5392 1044.924
290.0214 947.3004
290.5035 862.9205
290.9856 788.4527
291.4677 721.9185
291.9498 662.8139
292.4319 610.2431
292.9141 564.5591
293.3962 524.2253
293.8783 485.5698
294.3604 448.8145
294.8425 415.1890
295.3246 386.0403
295.8068 360.6036
296.2889 336.8916
296.7710 314.1772
297.2531 292.8312
297.7352 273.8002
298.2173 257.0833
298.6995 241.9444
299.1816 228.4069
299.6637 216.1086
300.1458 204.7817
300.6279 194.5560
301.1100 184.6831
301.5922 173.6682
302.0743 162.0462
302.5564 151.9745
303.0385 145.9059
303.5206 141.7602
304.0027 136.3857
304.4849 129.1999
304.9670 121.4805
305.4491 114.1004
305.9312 107.1850
306.4133 101.0520
306.8954 96.25659
307.3776 92.10054
307.8597 87.93114
308.3418 83.65024
308.8239 79.73277
309.3060 77.02432
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310.2703 71.82550
310.7524 66.81151
311.2345 61.87485
311.7166 58.99197
312.1987 58.10710
312.6808 56.93079
313.1630 53.71281
313.6451 49.66887
314.1272 46.06831
314.6093 43.23643
315.0914 41.06117
315.5735 40.01466
316.0557 39.84010
316.5378 39.15080
317.0199 37.04103
317.5020 34.37596
317.9841 31.67680
318.4662 28.72093
318.9484 26.39604
319.4305 25.48354
319.9126 25.47366
320.3947 25.04292
320.8768 23.28960
321.3589 21.41786
321.8411 20.12167
322.3232 19.93970
322.8053 19.25751
323.2874 17.05217
323.7695 14.28960
324.2516 12.49966
324.7338 13.07751
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326.1801 11.93834
326.6622 10.44983
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335.3403 0.4344330
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340.1615 0.3898160
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341.1257 1.135605
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342.5721 5.3955000E-02
343.0542 0.8486480
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344.0184 1.185837
344.5005 1.187195
344.9826 1.223923
345.4648 1.291321
345.9469 1.437408
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347.3932 1.497742
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348.3575 1.632797
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381.6235 6.505447
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384.0341 4.958221
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384.9983 5.737091
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385.9626 6.477173
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387.4089 4.272079
387.8910 3.943344
388.3731 3.342270
388.8553 1.552048
389.3374 0.1611940
389.8195 0.3769840
390.3016 0.8360440
390.7837 2.247009
391.2658 3.625549
391.7480 4.577103
392.2301 4.582550
392.7122 2.481674
393.1943 0.8114930
393.6764 1.459351
394.1585 3.610535
394.6407 4.843384
395.1228 3.095413
395.6049 1.195282
396.0870 0.7098080
396.5691 2.390991
397.0512 3.654434
397.5334 3.672272
398.0155 3.107056
398.4976 2.791748
398.9797 2.909470
399.4618 3.179779
399.9439 3.635315
400.4261 4.263412
400.9082 4.656448
401.3903 4.862579
401.8724 4.854340
402.3545 4.550522
402.8366 3.705704
403.3188 3.099747
403.8009 2.815201
404.2830 2.769714
404.7651 2.773651
405.2472 2.829163
405.7293 2.992706
406.2115 3.275162
406.6936 3.645874
407.1757 4.073639
407.6578 4.703476
408.1399 5.119247
408.6220 4.575150
409.1042 3.163773
409.5863 2.352631
410.0684 2.610748
410.5505 3.566772
411.0326 4.528564
411.5147 5.486633
411.9969 6.102417
412.4790 5.937088
412.9611 5.287384
413.4432 4.791962
413.9253 4.494797
414.4074 4.458160
414.8896 5.112885
415.3717 6.144684
415.8538 6.714676
416.3359 5.801895
416.8180 4.624771
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loop_
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1 elmendili 2018-07-16T11:24:39+0300 'jornal reference changed'
