#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:22:08 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1258 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000438.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_1000438
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        R050130
_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            1000438.rod
_rod_data_source.block           1000438
_rod_database.code               1000438
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
144.5070 0.0000000E+00
144.9891 8.273926
145.4712 33.47607
145.9534 129.7979
146.4355 262.2974
146.9176 429.4951
147.3997 622.8154
147.8818 843.7871
148.3639 1102.575
148.8461 1388.052
149.3282 1718.053
149.8103 2090.528
150.2924 2494.622
150.7745 2962.102
151.2566 3492.047
151.7388 4084.751
152.2209 4727.922
152.7030 5485.692
153.1851 6240.875
153.6672 6953.222
154.1493 7738.099
154.6315 8311.571
155.1136 8694.555
155.5957 8872.266
156.0778 8783.539
156.5599 8311.830
157.0420 7646.274
157.5242 6883.711
158.0063 5904.978
158.4884 4991.252
158.9705 4166.685
159.4526 3436.025
159.9347 2806.184
160.4169 2298.232
160.8990 1882.135
161.3811 1533.798
161.8632 1274.187
162.3453 1057.148
162.8274 871.3027
163.3096 714.4988
163.7917 582.2834
164.2738 479.4082
164.7559 397.6128
165.2380 328.1130
165.7201 274.6787
166.2023 233.1577
166.6844 200.0918
167.1665 173.9294
167.6486 151.2500
168.1307 131.9653
168.6128 116.1260
169.0950 99.07910
169.5771 88.21777
170.0592 81.42798
170.5413 74.98877
171.0234 68.98535
171.5055 58.98218
171.9877 45.62085
172.4698 34.68359
172.9519 25.53809
173.4340 15.80103
173.9161 7.269531
174.3982 1.850830
174.8804 2.4170000E-02
175.3625 1.233887
175.8446 4.329590
176.3267 8.491943
176.8088 11.90137
177.2909 13.11829
177.7731 13.17908
178.2552 13.53613
178.7373 14.25000
179.2194 15.13037
179.7015 16.32300
180.1836 17.54541
180.6658 17.97363
181.1479 16.46069
181.6300 14.17346
182.1121 13.34009
182.5942 14.54846
183.0763 16.69373
183.5585 18.95288
184.0406 21.25903
184.5227 22.91663
185.0048 22.57568
185.4869 21.19287
185.9690 21.90759
186.4511 25.68701
186.9333 30.76807
187.4154 34.59766
187.8975 37.25488
188.3796 38.77307
188.8617 38.77576
189.3438 37.53760
189.8260 36.34912
190.3081 35.21594
190.7902 34.47107
191.2723 35.92908
191.7544 39.69812
192.2365 41.62219
192.7187 36.42578
193.2008 25.09570
193.6829 17.99365
194.1650 17.81848
194.6471 22.16235
195.1292 24.50281
195.6114 24.73132
196.0935 24.19202
196.5756 24.61035
197.0577 25.95166
197.5398 24.24292
198.0219 17.13538
198.5041 7.054443
198.9862 4.253296
199.4683 9.895752
199.9504 17.19458
200.4325 20.92444
200.9146 21.05042
201.3968 18.29199
201.8789 11.49146
202.3610 7.807129
202.8431 23.37402
203.3252 34.83936
203.8073 44.38416
204.2895 53.53821
204.7716 61.97656
205.2537 72.08423
205.7358 85.02856
206.2179 100.1945
206.7000 113.0443
207.1822 122.9802
207.6643 132.0782
208.1464 142.3516
208.6285 154.1218
209.1106 165.4725
209.5927 175.6637
210.0749 184.8733
210.5570 195.8912
211.0391 209.7408
211.5212 223.3376
212.0033 232.9149
212.4854 236.6764
212.9676 242.8660
213.4497 254.1104
213.9318 270.0981
214.4139 283.3313
214.8960 293.2123
215.3781 301.3259
215.8603 308.7091
216.3424 314.2964
216.8245 322.4236
217.3066 335.4447
217.7887 353.3041
218.2708 365.5552
218.7530 370.2341
219.2351 372.1063
219.7172 376.0430
220.1993 382.7936
220.6814 389.7211
221.1635 396.0106
221.6457 401.6788
222.1278 409.3302
222.6099 421.0607
223.0920 432.3646
223.5741 437.5411
224.0562 433.3861
224.5384 430.4175
225.0205 430.3662
225.5026 433.2439
225.9847 440.1809
226.4668 453.8988
226.9489 468.6313
227.4311 477.8555
227.9132 479.5702
228.3953 480.3120
228.8774 480.9133
229.3595 481.3345
229.8416 483.1960
230.3238 486.6184
230.8059 491.2635
231.2880 497.1062
231.7701 505.2726
232.2522 512.5603
232.7343 518.1887
233.2165 522.1980
233.6986 527.0317
234.1807 532.3860
234.6628 538.7449
235.1449 546.7874
235.6270 557.3661
236.1092 567.7153
236.5913 577.1780
237.0734 585.6239
237.5555 595.3440
238.0376 607.9595
238.5197 620.2007
239.0019 628.0409
239.4840 626.5867
239.9661 630.2656
240.4482 643.0936
240.9303 664.9067
241.4124 683.0273
241.8946 694.9978
242.3767 705.9535
242.8588 720.4744
243.3409 740.6450
243.8230 760.5000
244.3051 778.5299
244.7873 794.7588
245.2694 813.3276
245.7515 835.2318
246.2336 858.5809
246.7157 881.6035
247.1978 902.7126
247.6800 927.1128
248.1621 955.7581
248.6442 988.7024
249.1263 1022.247
249.6084 1056.401
250.0905 1091.382
250.5726 1127.284
251.0548 1162.673
251.5369 1203.194
252.0190 1248.443
252.5011 1298.668
252.9832 1354.566
253.4653 1417.837
253.9475 1485.366
254.4296 1554.248
254.9117 1621.895
255.3938 1697.500
255.8759 1782.041
256.3581 1876.169
256.8402 1977.202
257.3223 2085.436
257.8044 2199.524
258.2865 2318.151
258.7686 2436.339
259.2508 2569.624
259.7329 2720.884
260.2150 2887.358
260.6971 3069.967
261.1792 3267.753
261.6613 3479.635
262.1435 3706.454
262.6256 3948.278
263.1077 4199.822
263.5898 4461.918
264.0719 4731.872
264.5540 5000.228
265.0362 5269.773
265.5183 5536.917
266.0004 5804.055
266.4825 6070.242
266.9646 6330.771
267.4467 6581.425
267.9289 6827.986
268.4110 7070.726
268.8931 7308.773
269.3752 7555.014
269.8573 7813.412
270.3394 8085.045
270.8216 8374.899
271.3037 8682.238
271.7858 9009.854
272.2679 9348.009
272.7500 9692.227
273.2321 10064.78
273.7143 10470.12
274.1964 10905.29
274.6785 11383.98
275.1606 11904.81
275.6427 12467.13
276.1248 13075.36
276.6070 13734.74
277.0891 14414.49
277.5712 15107.41
278.0533 15813.83
278.5354 16531.70
279.0175 17278.96
279.4996 17996.34
279.9818 18614.20
280.4639 19133.99
280.9460 19494.74
281.4281 19688.85
281.9102 19711.42
282.3923 19505.92
282.8745 19065.65
283.3566 18419.94
283.8387 17566.33
284.3208 16497.26
284.8029 15354.04
285.2850 14137.05
285.7672 12873.56
286.2493 11673.39
286.7314 10533.65
287.2135 9474.894
287.6956 8517.146
288.1777 7656.111
288.6599 6888.419
289.1420 6214.881
289.6241 5625.187
290.1062 5094.718
290.5883 4621.951
291.0704 4203.748
291.5526 3840.397
292.0347 3526.452
292.5168 3241.675
292.9989 2979.499
293.4810 2743.146
293.9631 2537.250
294.4453 2361.164
294.9274 2201.398
295.4095 2051.088
295.8916 1910.413
296.3737 1782.336
296.8558 1669.176
297.3380 1567.324
297.8201 1471.329
298.3022 1380.881
298.7843 1297.031
299.2664 1220.665
299.7485 1150.019
300.2307 1083.681
300.7128 1020.375
301.1949 961.5972
301.6770 909.1929
302.1591 862.2749
302.6412 818.3152
303.1234 775.9231
303.6055 735.5710
304.0876 696.2458
304.5697 658.4331
305.0518 623.8064
305.5339 596.6055
306.0161 574.0105
306.4982 550.8374
306.9803 523.2219
307.4624 494.6995
307.9445 468.7605
308.4266 445.6086
308.9088 424.7493
309.3909 406.9900
309.8730 390.8906
310.3551 374.4731
310.8372 354.4634
311.3193 335.0359
311.8015 320.2942
312.2836 309.5664
312.7657 297.9009
313.2478 278.9968
313.7299 258.9814
314.2120 243.6848
314.6942 238.0793
315.1763 234.3252
315.6584 229.6392
316.1405 223.6924
316.6226 215.6262
317.1047 202.6262
317.5869 188.7156
318.0690 176.5852
318.5511 166.8826
319.0332 159.1160
319.5153 155.3311
319.9974 153.6033
320.4796 149.6592
320.9617 139.0562
321.4438 127.7639
321.9259 118.5857
322.4080 112.6677
322.8901 106.8174
323.3723 100.7053
323.8544 94.08252
324.3365 86.70581
324.8186 76.22266
325.3007 67.61182
325.7828 63.76050
326.2650 66.10254
326.7471 65.01440
327.2292 56.57227
327.7113 45.77368
328.1934 37.31201
328.6755 31.36011
329.1577 27.77637
329.6398 28.11719
330.1219 32.34766
330.6040 33.45312
331.0861 28.44922
331.5682 22.58203
332.0504 19.46167
332.5325 22.30200
333.0146 22.66089
333.4967 19.02588
333.9788 12.17065
334.4609 5.894775
334.9431 0.7060550
335.4252 5.266724
335.9073 5.911133
336.3894 0.2504880
336.8715 1.255127
337.3536 3.013306
337.8358 10.08716
338.3179 13.85144
338.8000 13.05676
339.2821 12.05481
339.7642 12.52332
340.2463 14.65417
340.7285 17.32251
341.2106 21.27161
341.6927 24.07483
342.1748 21.21936
342.6569 11.76794
343.1390 4.356567
343.6212 2.526367
344.1033 5.533447
344.5854 7.453857
345.0675 8.053589
345.5496 8.265015
346.0317 8.999146
346.5139 10.17090
346.9960 11.25903
347.4781 12.93152
347.9602 14.21082
348.4423 12.11829
348.9244 6.727173
349.4066 0.4815670
349.8887 6.886841
350.3708 14.06665
350.8529 16.27832
351.3350 12.04724
351.8171 5.451172
352.2993 1.163208
352.7814 1.108276
353.2635 2.515015
353.7456 3.024780
354.2277 3.195313
354.7098 4.140503
355.1920 6.022095
355.6741 7.399048
356.1562 6.503784
356.6383 4.436401
357.1204 3.007080
357.6025 4.377441
358.0847 5.559814
358.5668 3.153564
359.0489 2.324585
359.5310 6.028076
360.0131 2.719849
360.4952 2.572144
360.9774 4.715698
361.4595 0.1820070
361.9416 4.657227
362.4237 8.088379
362.9058 9.862915
363.3879 8.970581
363.8701 0.4968260
364.3522 7.519287
364.8343 9.647583
365.3164 1.886597
365.7985 4.058472
366.2806 5.201538
366.7628 2.852295
367.2449 0.7561040
367.7270 8.949829
368.2091 14.78613
368.6912 15.15454
369.1733 8.545654
369.6555 4.212891
370.1376 4.938354
370.6197 6.816406
371.1018 6.403564
371.5839 0.8540040
372.0660 2.982178
372.5482 3.424683
373.0303 0.9517820
373.5124 0.1970210
373.9945 0.1822510
374.4766 1.559692
374.9587 4.050537
375.4409 8.886475
375.9230 11.24036
376.4051 10.68665
376.8872 7.776855
377.3693 2.847412
377.8514 5.300903
378.3336 11.19812
378.8157 11.72314
379.2978 6.761841
379.7799 2.888550
380.2620 0.4273680
380.7441 1.919312
381.2263 6.875732
381.7084 14.27087
382.1905 18.55420
382.6726 16.64001
383.1547 11.09692
383.6368 9.564087
384.1190 12.08923
384.6011 15.15723
385.0832 14.77063
385.5653 12.42078
386.0474 13.03809
386.5295 18.55627
387.0117 24.97278
387.4938 27.26770
387.9759 26.07312
388.4580 23.78418
388.9401 20.81726
389.4222 18.03796
389.9044 16.40295
390.3865 15.92041
390.8686 16.07947
391.3507 17.83398
391.8328 19.75269
392.3149 19.67981
392.7971 12.58606
393.2792 6.786377
393.7613 8.509888
394.2434 16.87183
394.7255 24.14575
395.2076 27.33362
395.6898 27.89258
396.1719 26.74756
396.6540 22.32275
397.1361 19.23376
397.6182 19.79199
398.1003 22.36121
398.5825 23.30054
399.0646 20.84937
399.5467 17.65295
400.0288 14.28857
400.5109 10.14746
400.9930 8.939697
401.4752 12.98853
401.9573 18.24438
402.4394 20.71875
402.9215 19.53552
403.4036 17.01123
403.8857 12.49365
404.3678 6.483765
404.8499 3.833618
405.3321 5.382446
405.8142 8.728760
406.2963 12.83984
406.7784 18.12720
407.2605 22.80200
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408.7069 29.09106
409.1890 24.22278
409.6711 20.22070
410.1532 19.59509
410.6353 21.66748
411.1175 22.91235
411.5996 23.38904
412.0817 23.20093
412.5638 21.50415
413.0459 18.86182
413.5280 17.51514
414.0102 18.88635
414.4923 21.05688
414.9744 20.62280
415.4565 18.08142
415.9386 16.39978
416.4207 19.14246
416.9029 23.36084
417.3850 24.48523
417.8671 21.13452
418.3492 18.45337
418.8313 21.11182
419.3134 27.10522
419.7956 32.78699
420.2777 38.09814
420.7598 41.35559
421.2419 40.89221
421.7240 36.75659
422.2061 32.48572
422.6883 28.29810
423.1704 25.77991
423.6525 25.62695
424.1346 29.59924
424.6167 33.28967
425.0988 36.85278
425.5810 39.38501
426.0631 39.11694
426.5452 32.37488
427.0273 27.56519
427.5094 27.93555
427.9915 35.13049
428.4737 37.71851
428.9558 33.09631
429.4379 27.07056
429.9200 25.28735
430.4021 28.99292
430.8842 32.84338
431.3664 36.76355
431.8485 40.14062
432.3306 39.60889
432.8127 34.49854
433.2948 28.96729
433.7769 25.18506
434.2591 23.03796
434.7412 22.12988
435.2233 22.56238
435.7054 23.10229
436.1875 22.11548
436.6696 20.19714
437.1518 19.59180
437.6339 21.75403
438.1160 25.06091
438.5981 26.90698
439.0802 27.45898
439.5623 27.63013
440.0445 28.81299
440.5266 29.57861
441.0087 27.38550
441.4908 20.39429
441.9729 14.16772
442.4550 12.34766
442.9372 13.98840
443.4193 17.34229
443.9014 24.84888
444.3835 31.46399
444.8656 34.37109
445.3477 33.35498
445.8299 30.35217
446.3120 22.90613
446.7941 15.30493
447.2762 10.91138
447.7583 10.72058
448.2404 13.03601
448.7226 19.90808
449.2047 29.37976
449.6868 35.43652
450.1689 37.12891
450.6510 36.41406
451.1331 33.46667
451.6153 28.02051
452.0974 24.61572
452.5795 23.70728
453.0616 23.74072
453.5437 23.04968
454.0258 21.52380
454.5080 20.12500
454.9901 18.78162
455.4722 17.89307
455.9543 19.15503
456.4364 22.62659
456.9185 25.06042
457.4007 23.27087
457.8828 18.41028
458.3649 15.03088
458.8470 13.58667
459.3291 13.66394
459.8112 15.52893
460.2934 18.33362
460.7755 20.29541
461.2576 20.78516
461.7397 20.09570
462.2218 18.14661
462.7039 15.25122
463.1861 12.47375
463.6682 8.869141
464.1503 6.593506
464.6324 8.146729
465.1145 15.65686
465.5966 21.04663
466.0788 19.23279
466.5609 14.39697
467.0430 11.87866
467.5251 16.99280
468.0072 20.01135
468.4893 16.75708
468.9715 7.762695
469.4536 3.532837
469.9357 6.889160
470.4178 11.87891
470.8999 15.63000
471.3820 18.56702
471.8642 18.99829
472.3463 15.67871
472.8284 11.14746
473.3105 9.634277
473.7926 11.74854
474.2747 13.62695
474.7569 13.75891
475.2390 12.70911
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1229.751 13.77319
1230.234 13.53809
1230.716 13.92065
1231.198 10.67456
1231.680 6.602295
1232.162 4.988770
1232.644 5.909180
1233.126 7.263672
1233.608 9.041260
1234.090 11.23633
1234.573 16.52441
1235.055 19.64624
1235.537 15.36792
1236.019 9.128418
1236.501 6.414551
1236.983 7.158447
1237.465 7.939209
1237.947 8.929932
1238.430 11.22485
1238.912 17.91235
1239.394 23.21875
1239.876 24.36230
1240.358 23.11426
1240.840 20.28369
1241.322 16.34790
1241.804 13.99097
1242.286 13.11401
1242.769 12.88818
1243.251 14.83813
1243.733 14.61987
1244.215 10.08228
1244.697 4.104980
1245.179 2.196777
1245.661 7.639648
1246.143 5.029297
1246.625 4.149658
1247.108 10.90796
1247.590 8.533203
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1248.554 9.301270
1249.036 12.67114
1249.518 16.86914
1250.000 20.35254
1250.482 22.32642
1250.965 22.27051
1251.447 20.80396
1251.929 15.42847
1252.411 13.22583
1252.893 16.16260
1253.375 19.51074
1253.857 17.53125
1254.339 13.12598
1254.822 13.13525
1255.304 16.27808
1255.786 17.70312
1256.268 14.25439
1256.750 12.44019
1257.232 12.87378
1257.714 14.27710
1258.196 16.99731
1258.678 18.88647
1259.161 14.89551
1259.643 7.536865
1260.125 4.691650
1260.607 8.716553
1261.089 12.72998
1261.571 16.34180
1262.053 19.33667
1262.535 21.51758
1263.017 22.87500
1263.500 22.28149
1263.982 20.90771
1264.464 21.99316
1264.946 26.68286
1265.428 28.06128
1265.910 25.55542
1266.392 23.18799
1266.874 25.19409
1267.357 27.35083
1267.839 26.31738
1268.321 23.22803
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1269.285 16.25610
1269.767 14.53931
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1273.624 26.37842
1274.106 27.17773
1274.588 21.16382
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1277.481 21.25659
1277.963 21.39429
1278.445 19.35815
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1279.409 14.30029
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1281.338 25.74927
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1282.302 29.40088
1282.784 26.09326
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1283.749 15.75244
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1286.159 20.30640
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1291.944 14.16968
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1292.909 25.05908
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1300.141 15.34131
1300.623 12.90771
1301.105 12.50854
1301.587 13.10938
1302.069 14.81079
1302.551 16.27417
1303.033 13.98071
1303.515 3.657227
1303.997 0.2253420
1304.479 3.867920
1304.962 3.341309
1305.444 0.0000000E+00
loop_
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1 elmendili 2018-07-16T11:22:07+0300 'Journal reference changed'
