#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:29:19 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1263 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000528.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_1000528
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 helium-neon
_raman_measurement_device.excitation_laser_wavelength 780
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 12
_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            1000528.rod
_rod_data_source.block           1000528
_rod_database.code               1000528
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
95.41614 0.0000000E+00
95.89825 1.447403
96.38037 1.963379
96.86249 1.020645
97.34460 0.1490330
97.82672 0.2517090
98.30884 1.733322
98.79095 4.247162
99.27307 6.147690
99.75519 6.668030
100.2373 5.262482
100.7194 1.957382
101.2015 0.1587980
101.6837 0.2578890
102.1658 0.3059230
102.6479 0.6445160
103.1300 0.8245700
103.6121 1.943008
104.0942 1.468552
104.5764 0.6443180
105.0585 0.2863310
105.5406 0.8961180
106.0227 2.138657
106.5048 2.993454
106.9869 3.261627
107.4691 3.285217
107.9512 3.242279
108.4333 3.127838
108.9154 2.920502
109.3975 2.625824
109.8796 2.261673
110.3618 1.648514
110.8439 1.5720000E-03
111.3260 1.277710
111.8081 1.387833
112.2902 0.3297420
112.7723 1.240479
113.2544 2.407394
113.7366 2.846634
114.2187 3.456955
114.7008 4.457809
115.1829 5.506134
115.6650 6.166763
116.1471 6.278259
116.6293 6.224762
117.1114 6.996887
117.5935 9.054489
118.0756 10.92923
118.5577 11.91861
119.0398 12.43575
119.5220 13.49588
120.0041 15.59920
120.4862 18.56786
120.9683 21.76068
121.4504 25.27277
121.9325 28.82965
122.4147 32.22841
122.8968 35.47510
123.3789 38.59639
123.8610 41.24446
124.3431 43.87810
124.8252 46.95897
125.3074 50.64059
125.7895 54.82669
126.2716 59.28282
126.7537 63.76305
127.2358 69.00620
127.7179 74.80704
128.2001 81.41600
128.6822 89.20282
129.1643 98.33549
129.6464 108.8418
130.1285 120.6019
130.6107 133.5747
131.0928 148.0849
131.5749 164.2558
132.0570 182.0148
132.5391 201.4655
133.0212 222.7566
133.5034 246.3999
133.9855 268.9760
134.4676 290.5439
134.9497 311.2649
135.4318 331.4814
135.9139 351.0939
136.3960 369.4859
136.8782 385.5266
137.3603 398.6428
137.8424 412.2830
138.3245 426.0085
138.8066 440.5594
139.2887 456.9381
139.7709 475.4903
140.2530 495.0986
140.7351 513.3303
141.2172 530.1049
141.6993 550.4306
142.1814 577.3979
142.6636 609.7258
143.1457 643.0066
143.6278 675.8854
144.1099 709.9310
144.5920 745.7648
145.0741 783.3405
145.5563 824.4741
146.0384 871.3301
146.5205 924.1707
147.0026 979.4065
147.4847 1033.028
147.9668 1090.917
148.4490 1156.817
148.9311 1231.628
149.4132 1314.803
149.8953 1404.207
150.3774 1498.097
150.8595 1605.309
151.3417 1730.429
151.8238 1863.600
152.3059 2001.061
152.7880 2139.765
153.2701 2274.831
153.7522 2391.463
154.2344 2508.809
154.7165 2578.402
155.1986 2596.123
155.6807 2566.393
156.1628 2490.555
156.6449 2367.783
157.1271 2205.093
157.6092 2027.799
158.0913 1818.495
158.5734 1615.667
159.0555 1426.209
159.5376 1251.275
160.0198 1093.928
160.5019 956.8352
160.9840 840.0758
161.4661 736.6218
161.9482 646.9695
162.4303 568.6918
162.9125 502.1423
163.3946 447.1038
163.8767 399.2839
164.3588 358.4953
164.8409 323.5936
165.3230 292.1784
165.8052 264.5042
166.2873 239.7840
166.7694 217.5557
167.2515 197.7976
167.7336 180.4579
168.2157 166.0398
168.6979 153.6294
169.1800 142.2035
169.6621 131.3493
170.1442 121.4272
170.6263 113.3169
171.1084 108.1712
171.5906 103.0775
172.0727 96.92850
172.5548 90.24521
173.0369 83.72733
173.5190 77.78317
174.0011 72.37802
174.4833 67.23245
174.9654 62.38182
175.4475 57.77017
175.9296 53.23297
176.4117 48.94078
176.8938 45.15971
177.3760 42.11859
177.8581 39.83141
178.3402 37.76659
178.8223 36.22395
179.3044 34.59187
179.7865 32.68259
180.2687 30.50223
180.7508 28.09660
181.2329 25.44930
181.7150 22.50299
182.1971 20.17850
182.6792 18.56876
183.1614 17.39285
183.6435 16.76823
184.1256 16.59308
184.6077 16.23833
185.0898 15.07104
185.5719 13.01944
186.0541 11.19876
186.5362 9.601044
187.0183 8.261337
187.5004 7.345688
187.9825 6.892670
188.4646 6.440765
188.9468 5.434998
189.4289 4.031662
189.9110 2.854675
190.3931 2.052170
190.8752 1.557266
191.3573 1.381256
191.8395 1.695358
192.3216 1.841553
192.8037 1.095688
193.2858 0.2102360
193.7679 1.342682
194.2500 1.906311
194.7322 2.034836
195.2143 2.165176
195.6964 2.327850
196.1785 2.447479
196.6606 2.391281
197.1427 2.260849
197.6249 2.297287
198.1070 2.864639
198.5891 3.854126
199.0712 4.126770
199.5533 3.149139
200.0354 1.972778
200.5176 0.6204680
200.9997 0.6331480
201.4818 1.227722
201.9639 0.5154570
202.4460 1.555466
202.9281 2.894119
203.4103 2.503433
203.8924 2.238144
204.3745 3.051865
204.8566 4.530792
205.3387 5.499496
205.8208 4.796906
206.3030 2.136093
206.7851 0.4615330
207.2672 0.4438780
207.7493 0.6589510
208.2314 0.6402740
208.7135 0.3657530
209.1957 9.4599999E-04
209.6778 0.3315580
210.1599 0.6422420
210.6420 0.7408290
211.1241 0.2160950
211.6062 0.1291810
212.0884 0.3201600
212.5705 1.445114
213.0526 2.513275
213.5347 2.801971
214.0168 2.179031
214.4989 2.166534
214.9811 3.533813
215.4632 4.864685
215.9453 4.901672
216.4274 3.696426
216.9095 2.703812
217.3916 3.306732
217.8737 5.565384
218.3559 7.281082
218.8380 8.454895
219.3201 9.066025
219.8022 8.812027
220.2843 7.673843
220.7664 6.627609
221.2486 6.418671
221.7307 6.979111
222.2128 7.958008
222.6949 9.669830
223.1770 11.59767
223.6591 13.12965
224.1413 14.20752
224.6234 15.19067
225.1055 16.41492
225.5876 17.71477
226.0697 18.75316
226.5518 19.18826
227.0340 19.43985
227.5161 20.19702
227.9982 21.61084
228.4803 23.00459
228.9624 23.66550
229.4445 24.12274
229.9267 25.19960
230.4088 27.59645
230.8909 30.43526
231.3730 31.75317
231.8551 30.72812
232.3372 30.27802
232.8194 31.82939
233.3015 34.51115
233.7836 37.47638
234.2657 40.50572
234.7478 43.41690
235.2299 45.66853
235.7121 46.73289
236.1942 48.23846
236.6763 50.79517
237.1584 53.90620
237.6405 57.18779
238.1227 60.54933
238.6048 63.76999
239.0869 66.07285
239.5690 66.14902
240.0511 67.72119
240.5332 72.20396
241.0154 77.94498
241.4975 83.31551
241.9796 87.61687
242.4617 91.25807
242.9438 95.18576
243.4259 99.52512
243.9081 104.0200
244.3902 108.5019
244.8723 113.1523
245.3544 118.1486
245.8365 123.5808
246.3186 129.3354
246.8008 135.1916
247.2829 140.6624
247.7650 147.0164
248.2471 154.6699
248.7292 162.9630
249.2113 171.0617
249.6935 178.7344
250.1756 186.7211
250.6577 196.5484
251.1398 209.9418
251.6219 222.5887
252.1040 233.2271
252.5862 243.7929
253.0683 255.9944
253.5504 270.2610
254.0325 285.9286
254.5146 301.8716
254.9967 317.2771
255.4789 334.6764
255.9610 353.9365
256.4431 375.0262
256.9252 398.3744
257.4073 424.1133
257.8894 451.3054
258.3716 478.5305
258.8537 504.6167
259.3358 534.5806
259.8179 570.8590
260.3000 609.5560
260.7821 647.4590
261.2643 684.1978
261.7464 721.1973
262.2285 760.2935
262.7106 802.3110
263.1927 843.4767
263.6748 883.6129
264.1570 923.1293
264.6391 961.7207
265.1212 999.3344
265.6033 1036.577
266.0854 1073.021
266.5675 1108.738
267.0497 1147.806
267.5318 1190.481
268.0139 1236.203
268.4960 1285.349
268.9781 1337.671
269.4602 1390.890
269.9424 1442.687
270.4245 1493.835
270.9066 1548.862
271.3887 1606.822
271.8708 1669.714
272.3529 1740.285
272.8351 1818.190
273.3172 1897.356
273.7993 1972.675
274.2814 2047.783
274.7635 2132.626
275.2456 2231.063
275.7278 2334.660
276.2099 2437.678
276.6920 2540.466
277.1741 2646.744
277.6562 2760.948
278.1383 2877.443
278.6205 2985.037
279.1026 3085.462
279.5847 3175.559
280.0668 3259.747
280.5489 3335.206
281.0310 3383.619
281.5132 3400.249
281.9953 3381.139
282.4774 3330.270
282.9595 3247.536
283.4416 3136.785
283.9237 2993.031
284.4059 2821.390
284.8880 2639.346
285.3701 2445.522
285.8522 2250.972
286.3343 2064.161
286.8164 1884.967
287.2986 1716.783
287.7807 1561.411
288.2628 1418.182
288.7449 1286.591
289.2270 1166.593
289.7091 1058.507
290.1913 960.4051
290.6734 872.1786
291.1555 793.0024
291.6376 724.4619
292.1197 665.1074
292.6018 610.7982
293.0840 562.0465
293.5661 517.9672
294.0482 478.0988
294.5303 442.1748
295.0124 409.9219
295.4945 382.4586
295.9767 358.3652
296.4588 335.0119
296.9409 312.0640
297.4230 291.0605
297.9051 273.2124
298.3872 257.4161
298.8694 242.6413
299.3515 228.6703
299.8336 215.5350
300.3157 203.3370
300.7978 192.1068
301.2799 181.0167
301.7621 168.8282
302.2442 157.1595
302.7263 147.6424
303.2084 140.7293
303.6905 134.9690
304.1726 128.9066
304.6548 122.5322
305.1369 116.5390
305.6190 111.4193
306.1011 106.3843
306.5832 100.7833
307.0653 94.61263
307.5475 88.56454
308.0296 82.99216
308.5117 77.87270
308.9938 73.66496
309.4759 71.07565
309.9580 68.85419
310.4402 66.04729
310.9223 62.78123
311.4044 59.72939
311.8865 57.76371
312.3686 56.55292
312.8507 54.28693
313.3329 50.16063
313.8150 46.32461
314.2971 44.02188
314.7792 42.74222
315.2613 41.58374
315.7434 40.24551
316.2256 38.69463
316.7077 36.76179
317.1898 34.21355
317.6719 31.88507
318.1540 30.23918
318.6361 29.00152
319.1183 27.91663
319.6004 26.81812
320.0825 25.65134
320.5646 24.63819
321.0467 23.82500
321.5288 23.02174
322.0110 22.35580
322.4931 21.54956
322.9752 20.28821
323.4573 18.52063
323.9394 16.71012
324.4215 15.30688
324.9037 14.29156
325.3858 13.21320
325.8679 11.99732
326.3500 10.70657
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335.0281 1.901779
335.5102 0.7445300
335.9923 1.0490000E-02
336.4745 0.3026200
336.9566 1.5472000E-02
337.4387 1.011780
337.9208 1.576195
338.4029 1.079597
338.8850 0.1639180
339.3671 0.6290590
339.8492 1.278381
340.3314 1.659744
340.8135 1.413246
341.2956 0.6916430
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342.2598 1.745781
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343.2241 2.628609
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353.3485 1.6144000E-02
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356.7233 3.6766000E-02
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362.9908 3.1525001E-02
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381.7934 1.402847
382.2755 1.761993
382.7576 2.218349
383.2397 2.486240
383.7219 2.527145
384.2040 2.323868
384.6861 1.802818
385.1682 1.056248
385.6503 0.9369660
386.1324 2.433727
386.6146 3.595268
387.0967 3.952049
387.5788 3.831089
388.0609 3.672359
388.5430 3.668941
389.0251 3.681446
389.5073 3.390274
389.9894 2.559395
390.4715 1.932281
390.9536 1.585148
391.4357 1.392357
391.9178 1.292927
392.4000 1.269878
392.8821 1.308350
393.3642 1.337803
393.8463 1.344379
394.3284 1.775196
394.8105 3.293995
395.2927 4.480865
395.7748 4.579884
396.2569 4.085831
396.7390 3.891636
397.2211 4.524658
397.7032 5.477482
398.1854 5.578266
398.6675 4.585842
399.1496 3.614632
399.6317 2.709007
400.1138 2.004951
400.5959 1.742161
401.0781 2.032051
401.5602 2.552181
402.0423 2.884483
402.5244 3.015854
403.0065 3.380215
403.4886 4.373608
403.9708 5.245304
404.4529 5.314583
404.9350 4.748802
405.4171 4.011234
405.8992 3.359768
406.3813 2.859692
406.8635 2.429661
407.3456 2.015602
407.8277 1.807461
408.3098 1.956989
408.7919 2.307762
409.2740 2.692818
409.7562 3.286293
410.2383 3.639137
410.7204 3.015320
411.2025 1.847706
411.6846 1.694294
412.1667 3.252861
412.6489 4.995361
413.1310 4.785336
413.6131 2.724922
414.0952 1.214691
414.5773 0.8063050
415.0594 0.9773600
415.5416 1.515839
416.0237 2.335686
416.5058 2.877533
416.9879 2.626606
417.4700 1.807762
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1 elmendili 2018-07-16T11:29:17+0300 'journal reference changed'
