#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:23:29 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1259 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000485.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_1000485
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        R050127
_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            1000485.rod
_rod_data_source.block           1000485
_rod_database.code               1000485
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
129.9852 0.0000000E+00
130.4673 7.846985
130.9494 2.940948
131.4316 0.2946170
131.9137 8.220642
132.3958 19.21594
132.8779 36.50439
133.3600 63.35956
133.8421 98.76147
134.3243 141.2756
134.8064 192.4739
135.2885 250.9009
135.7706 308.0641
136.2527 363.0587
136.7348 416.1753
137.2170 467.1344
137.6991 516.3938
138.1812 563.9075
138.6633 610.3154
139.1454 656.2554
139.6275 697.2741
140.1097 730.9429
140.5918 758.7554
141.0739 788.5048
141.5560 819.5831
142.0381 853.0156
142.5202 890.4001
143.0023 932.2877
143.4845 975.7785
143.9666 1019.938
144.4487 1065.099
144.9308 1112.022
145.4129 1160.825
145.8951 1211.348
146.3772 1264.470
146.8593 1317.451
147.3414 1376.349
147.8235 1441.051
148.3056 1511.159
148.7878 1590.676
149.2699 1680.228
149.7520 1779.839
150.2341 1887.855
150.7162 1998.485
151.1983 2124.880
151.6805 2272.673
152.1626 2445.102
152.6447 2626.810
153.1268 2830.538
153.6089 3043.337
154.0910 3242.756
154.5732 3467.457
155.0553 3645.588
155.5374 3758.727
156.0195 3818.565
156.5016 3786.828
156.9837 3634.774
157.4659 3389.668
157.9480 3106.947
158.4301 2760.090
158.9122 2411.968
159.3943 2090.432
159.8764 1793.178
160.3586 1530.490
160.8407 1309.024
161.3228 1125.000
161.8049 967.8086
162.2870 840.6780
162.7691 734.2422
163.2513 643.5513
163.7334 570.9056
164.2155 507.2479
164.6976 452.3575
165.1797 403.7743
165.6618 358.7030
166.1440 317.6953
166.6261 280.9071
167.1082 248.4825
167.5903 220.7939
168.0724 197.3317
168.5545 179.1380
169.0367 165.5951
169.5188 152.9100
170.0009 138.4186
170.4830 123.8114
170.9651 110.5999
171.4472 99.71332
171.9293 90.08060
172.4115 81.10803
172.8936 72.76120
173.3757 64.60074
173.8578 56.13126
174.3399 47.76562
174.8220 40.03857
175.3042 33.07092
175.7863 26.89505
176.2684 21.41379
176.7505 16.62155
177.2326 12.60529
177.7147 9.044434
178.1969 6.306915
178.6790 5.293213
179.1611 8.875305
179.6432 13.48477
180.1253 12.87796
180.6074 6.794250
181.0896 2.2705000E-02
181.5717 2.147400
182.0538 0.9646610
182.5359 0.4714970
183.0180 3.073761
183.5001 7.439026
183.9823 11.00620
184.4644 13.75046
184.9465 15.55594
185.4286 15.22968
185.9107 13.33731
186.3928 12.82623
186.8750 16.30884
187.3571 22.26459
187.8392 25.75937
188.3213 26.67197
188.8034 26.05286
189.2855 24.84821
189.7677 23.24921
190.2498 21.93677
190.7319 21.37100
191.2140 21.43280
191.6961 21.50571
192.1782 21.62582
192.6604 21.63184
193.1425 21.26273
193.6246 20.52182
194.1067 19.54581
194.5888 18.21643
195.0709 16.59872
195.5531 15.53571
196.0352 15.28342
196.5173 15.09048
196.9994 13.21127
197.4815 9.451141
197.9636 6.516449
198.4458 6.633453
198.9279 9.842529
199.4100 10.26428
199.8921 7.132874
200.3742 2.190308
200.8563 1.440369
201.3385 3.647980
201.8206 5.337097
202.3027 6.821625
202.7848 8.074615
203.2669 9.519653
203.7490 11.27133
204.2311 13.10294
204.7133 14.48694
205.1954 15.32233
205.6775 16.14752
206.1596 17.22025
206.6417 18.56796
207.1238 20.01498
207.6060 21.55743
208.0881 23.20505
208.5702 24.90485
209.0523 26.54520
209.5344 28.57700
210.0165 31.55637
210.4987 35.98227
210.9808 38.90555
211.4629 39.82037
211.9450 39.51511
212.4271 39.59009
212.9092 39.79636
213.3914 40.99298
213.8735 44.17828
214.3556 50.45816
214.8377 54.25549
215.3198 54.71231
215.8019 53.01913
216.2841 51.75781
216.7662 50.41760
217.2483 50.54404
217.7304 53.37872
218.2125 60.24988
218.6946 65.45743
219.1768 68.41608
219.6589 69.86765
220.1410 71.68521
220.6231 73.85022
221.1052 76.43649
221.5873 79.71951
222.0695 84.31348
222.5516 87.71939
223.0337 89.46472
223.5158 90.18405
223.9979 91.48257
224.4800 93.44858
224.9622 95.81616
225.4443 98.44699
225.9264 101.3543
226.4085 104.5323
226.8906 107.9628
227.3727 111.6701
227.8549 115.9663
228.3370 121.1350
228.8191 126.3629
229.3012 131.4175
229.7833 136.3357
230.2654 140.7921
230.7476 144.2266
231.2297 147.3947
231.7118 152.0296
232.1939 158.5532
232.6760 165.8425
233.1581 173.6793
233.6402 182.4180
234.1224 190.5667
234.6045 198.0873
235.0866 205.0780
235.5687 211.4522
236.0508 215.7619
236.5329 221.8384
237.0151 231.7361
237.4972 247.3373
237.9793 260.7313
238.4614 270.7437
238.9435 278.7982
239.4256 288.3665
239.9078 299.8839
240.3899 312.5533
240.8720 326.3256
241.3541 342.0370
241.8362 355.2808
242.3183 364.5654
242.8005 372.4714
243.2826 383.7274
243.7647 399.4709
244.2468 416.6522
244.7289 434.2660
245.2110 452.3378
245.6932 469.9531
246.1753 486.1861
246.6574 502.9208
247.1395 523.2396
247.6216 548.3866
248.1037 574.5116
248.5859 600.1240
249.0680 624.2115
249.5501 651.6773
250.0322 683.2615
250.5143 717.6159
250.9964 752.8599
251.4786 788.4570
251.9607 826.0792
252.4428 866.2336
252.9249 908.3400
253.4070 954.7832
253.8891 1005.741
254.3713 1060.765
254.8534 1119.443
255.3355 1180.508
255.8176 1247.050
256.2997 1319.933
256.7818 1398.248
257.2639 1483.712
257.7461 1576.043
258.2282 1676.869
258.7103 1786.086
259.1924 1903.372
259.6745 2031.810
260.1566 2169.288
260.6388 2317.531
261.1209 2476.257
261.6030 2646.333
262.0851 2827.912
262.5672 3020.892
263.0493 3232.421
263.5315 3441.517
264.0136 3645.252
264.4957 3842.951
264.9778 4037.048
265.4599 4225.048
265.9420 4411.084
266.4242 4596.565
266.9063 4785.414
267.3884 4966.235
267.8705 5134.518
268.3526 5292.896
268.8347 5460.453
269.3169 5639.261
269.7990 5819.721
270.2811 5995.896
270.7632 6164.146
271.2453 6338.495
271.7274 6522.262
272.2096 6713.206
272.6917 6910.667
273.1738 7114.792
273.6559 7330.481
274.1380 7561.198
274.6201 7810.271
275.1023 8065.966
275.5844 8326.522
276.0665 8592.923
276.5486 8880.517
277.0307 9190.603
277.5128 9510.910
277.9950 9840.028
278.4771 10179.62
278.9592 10510.14
279.4413 10842.78
279.9234 11155.86
280.4055 11420.19
280.8877 11642.77
281.3698 11778.17
281.8519 11812.24
282.3340 11744.89
282.8161 11556.74
283.2982 11242.93
283.7804 10817.27
284.2625 10287.07
284.7446 9648.104
285.2267 8971.022
285.7088 8262.982
286.1909 7533.295
286.6731 6843.785
287.1552 6192.863
287.6373 5586.337
288.1194 5039.999
288.6015 4550.670
289.0836 4109.680
289.5658 3717.920
290.0479 3371.900
290.5300 3060.421
291.0121 2786.757
291.4942 2542.832
291.9763 2324.739
292.4585 2133.029
292.9406 1958.812
293.4227 1802.867
293.9048 1663.081
294.3869 1537.860
294.8690 1426.797
295.3512 1327.003
295.8333 1236.384
296.3154 1154.637
296.7975 1077.330
297.2796 1003.718
297.7617 935.6813
298.2439 878.2857
298.7260 831.2918
299.2081 787.8577
299.6902 742.7261
300.1723 698.4019
300.6544 658.4356
301.1366 624.5582
301.6187 593.3743
302.1008 559.7374
302.5829 525.2126
303.0650 494.3479
303.5471 472.5813
304.0293 455.4926
304.5114 436.5810
304.9935 414.7444
305.4756 392.8231
305.9577 372.6019
306.4398 354.0371
306.9220 336.8648
307.4041 321.7071
307.8862 307.3821
308.3683 291.5745
308.8504 274.2573
309.3326 258.4224
309.8147 247.9492
310.2968 240.3541
310.7789 231.7452
311.2610 219.2098
311.7431 206.1848
312.2252 195.1696
312.7073 186.1333
313.1895 177.8488
313.6716 170.0737
314.1537 162.5157
314.6358 155.0509
315.1179 146.9942
315.6000 139.3791
316.0822 133.0723
316.5643 127.8683
317.0464 122.5554
317.5285 116.2908
318.0106 109.8865
318.4927 103.9133
318.9749 98.34680
319.4570 93.31531
319.9391 89.07333
320.4212 85.41751
320.9033 81.75620
321.3854 77.99515
321.8676 74.15256
322.3497 70.29083
322.8318 66.65668
323.3139 62.38968
323.7960 56.10889
324.2781 49.36557
324.7603 44.29514
325.2424 43.19275
325.7245 42.10715
326.2066 39.92545
326.6887 36.42059
327.1708 32.58810
327.6530 26.70688
328.1351 21.32379
328.6172 18.71664
329.0993 23.51038
329.5814 26.20874
330.0635 24.51520
330.5457 18.56772
331.0278 14.48108
331.5099 13.35794
331.9920 13.33817
332.4741 13.31348
332.9562 13.27283
333.4384 13.07797
333.9205 12.65701
334.4026 11.89746
334.8847 10.68094
335.3668 8.693909
335.8489 6.869965
336.3311 5.899841
336.8132 6.660828
337.2953 5.721313
337.7774 2.086456
338.2595 2.582947
338.7416 4.718658
339.2238 3.593658
339.7059 2.080292
340.1880 1.251740
340.6701 1.189178
341.1522 0.6882930
341.6343 0.5755310
342.1165 1.788635
342.5986 1.787506
343.0807 0.3701170
343.5628 1.507782
344.0449 3.781311
344.5270 6.126862
345.0092 7.646973
345.4913 8.405396
345.9734 8.610107
346.4555 8.010071
346.9376 6.689484
347.4197 5.705261
347.9019 5.334839
348.3840 5.269928
348.8661 5.173523
349.3482 5.038635
349.8303 4.469574
350.3124 2.225220
350.7946 0.6637270
351.2767 1.065735
351.7588 1.779266
352.2409 5.240173
352.7230 6.558289
353.2051 6.084351
353.6873 4.813080
354.1694 1.424744
354.6515 1.725342
355.1336 0.4214170
355.6157 5.560303
356.0978 10.77301
356.5800 9.888794
357.0621 5.748016
357.5442 2.580872
358.0263 2.395081
358.5084 3.160217
358.9905 3.696686
359.4727 4.037048
359.9548 4.152100
360.4369 3.928406
360.9190 3.495270
361.4011 2.870300
361.8832 1.724091
362.3654 1.022858
362.8475 1.855957
363.3296 3.513916
363.8117 4.378906
364.2938 3.275391
364.7759 1.712036
365.2581 0.1444700
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366.2223 2.322021
366.7044 0.7340390
367.1865 1.589966
367.6686 2.943634
368.1508 2.520508
368.6329 1.758392
369.1150 0.6970520
369.5971 0.6724240
370.0792 1.562225
370.5613 1.992828
371.0435 1.933960
371.5256 1.273743
372.0077 1.393768
372.4898 2.442566
372.9719 1.128143
373.4540 1.844482
373.9361 4.333618
374.4182 6.364410
374.9004 7.850189
375.3825 8.650879
375.8646 8.579559
376.3467 8.717010
376.8288 9.347595
377.3109 9.839935
377.7931 8.982697
378.2752 6.331268
378.7573 4.297455
379.2394 3.752930
379.7215 4.464447
380.2036 4.653748
380.6858 4.242218
381.1679 3.746979
381.6500 3.876434
382.1321 4.534180
382.6142 4.462494
383.0963 3.167953
383.5785 1.409485
384.0606 0.5231320
384.5427 0.5074010
385.0248 1.006546
385.5069 2.242752
385.9890 3.807098
386.4712 4.596237
386.9533 4.415619
387.4354 4.096146
387.9175 5.039124
388.3996 6.561401
388.8817 7.103348
389.3639 4.943054
389.8460 2.109131
390.3281 0.3211980
390.8102 0.3813630
391.2923 2.3224000E-02
391.7744 2.490143
392.2566 5.671204
392.7387 8.218979
393.2208 10.10770
393.7029 10.81479
394.1850 9.098083
394.6671 5.886444
395.1493 3.626434
395.6314 3.912354
396.1135 4.854904
396.5956 5.436981
397.0777 5.437347
397.5598 5.836975
398.0420 7.653076
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399.0062 10.56059
399.4883 7.946945
399.9704 6.320648
400.4525 7.451340
400.9347 11.22925
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402.8631 7.744385
403.3452 11.21234
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404.3095 13.55910
404.7916 12.54065
405.2737 11.64209
405.7558 10.62976
406.2379 10.26343
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408.1664 14.77795
408.6485 14.45541
409.1306 13.72784
409.6128 12.54582
410.0949 12.06151
410.5770 12.89514
411.0591 14.54134
411.5412 15.63309
412.0233 16.24046
412.5055 16.42883
412.9876 16.14734
413.4697 15.29630
413.9518 13.96051
414.4339 12.38860
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415.3982 10.02493
415.8803 9.358521
416.3624 9.973770
416.8445 14.57687
417.3266 19.24254
417.8087 19.53949
418.2909 15.66159
418.7730 11.63342
419.2551 8.914627
419.7372 7.782166
420.2193 8.797531
420.7014 14.10071
421.1836 18.32030
421.6657 18.35011
422.1478 15.68120
422.6299 13.63661
423.1120 14.09946
423.5941 14.62880
424.0763 13.77438
424.5584 10.74794
425.0405 9.081131
425.5226 10.31352
426.0047 12.69334
426.4868 14.46309
426.9690 15.51414
427.4511 16.11389
427.9332 16.07883
428.4153 15.51189
428.8974 15.02715
429.3795 14.43639
429.8617 14.07994
430.3438 14.37114
430.8259 15.73344
431.3080 16.90642
431.7901 17.80998
432.2722 18.33917
432.7544 18.48013
433.2365 18.27014
433.7186 17.26132
434.2007 14.89340
434.6828 11.68948
435.1649 9.551178
435.6470 8.484787
436.1292 8.411621
436.6113 9.602341
437.0934 11.79318
437.5755 14.12187
438.0576 16.69562
438.5397 18.82179
439.0219 19.44290
439.5040 18.90291
439.9861 18.18233
440.4682 17.67387
440.9503 17.16881
441.4324 16.45813
441.9146 15.57520
442.3967 14.72928
442.8788 13.89209
443.3609 13.28625
443.8430 13.15034
444.3251 14.00310
444.8073 14.57669
445.2894 14.07529
445.7715 12.99071
446.2536 12.47762
446.7357 13.57828
447.2178 14.46088
447.7000 14.24193
448.1821 12.54973
448.6642 11.25371
449.1463 10.76804
449.6284 10.68376
450.1105 10.46701
450.5927 9.489182
451.0748 9.357254
451.5569 10.69067
452.0390 12.91219
452.5211 13.77943
453.0032 12.95930
453.4854 11.79089
453.9675 11.07597
454.4496 10.86819
454.9317 9.597000
455.4138 6.933472
455.8959 4.270615
456.3781 3.203018
456.8602 3.617798
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1 elmendili 2018-07-16T11:23:27+0300 'Journal reference changed'
