#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:33:45 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1267 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000567.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_1000567
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 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            1000567.rod
_rod_data_source.block           1000567
_rod_database.code               1000567
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
133.5831 0.0000000E+00
134.0652 0.7890630
134.5473 2.418488
135.0294 8.806305
135.5115 15.78839
135.9937 21.76355
136.4758 26.38446
136.9579 31.25821
137.4400 36.15692
137.9221 40.99564
138.4042 44.80508
138.8864 48.20715
139.3685 52.66138
139.8506 59.46997
140.3327 68.84882
140.8148 79.35458
141.2969 91.05914
141.7791 103.5004
142.2612 116.3670
142.7433 129.6144
143.2254 143.2450
143.7075 157.0481
144.1896 170.8547
144.6718 186.7183
145.1539 205.4692
145.6360 226.1789
146.1181 247.2433
146.6002 267.9367
147.0823 290.3527
147.5645 317.3602
148.0466 348.1965
148.5287 381.5559
149.0108 415.8623
149.4929 451.9709
149.9750 492.7390
150.4572 537.6968
150.9393 589.4078
151.4214 649.5421
151.9035 717.9045
152.3856 789.7698
152.8677 868.0840
153.3499 954.0151
153.8320 1020.599
154.3141 1066.122
154.7962 1086.907
155.2783 1076.031
155.7604 1033.908
156.2425 969.5787
156.7247 889.8196
157.2068 785.6176
157.6889 687.2852
158.1710 592.3450
158.6531 504.8451
159.1352 427.1152
159.6174 361.0341
160.0995 306.2370
160.5816 258.6596
161.0637 218.8830
161.5458 185.9166
162.0279 161.8076
162.5101 143.1193
162.9922 126.5892
163.4743 111.6024
163.9564 99.17648
164.4385 88.61147
164.9206 79.15567
165.4028 69.96890
165.8849 61.73161
166.3670 54.31104
166.8491 47.83713
167.3312 42.52493
167.8133 38.21541
168.2955 34.37387
168.7776 31.45323
169.2597 28.61308
169.7418 25.30937
170.2239 21.61682
170.7060 18.11226
171.1882 14.81514
171.6703 12.15697
172.1524 10.65079
172.6345 10.84142
173.1166 11.47903
173.5987 11.43466
174.0809 10.69142
174.5630 9.769196
175.0451 8.710846
175.5272 7.631210
176.0093 6.776672
176.4914 6.382706
176.9736 5.980728
177.4557 4.555145
177.9378 1.404037
178.4199 1.002762
178.9020 1.443909
179.3841 0.9964600
179.8663 0.6865080
180.3484 0.9449460
180.8305 1.694504
181.3126 2.747711
181.7947 4.592560
182.2768 6.026566
182.7590 7.074020
183.2411 7.555939
183.7232 7.009781
184.2053 5.039429
184.6874 2.087463
185.1695 0.9378360
185.6517 3.743866
186.1338 6.261520
186.6159 7.910538
187.0980 8.825150
187.5801 9.264481
188.0622 9.365631
188.5444 9.150040
189.0265 8.974396
189.5086 8.914917
189.9907 8.820068
190.4728 8.673859
190.9549 8.456451
191.4371 7.505188
191.9192 6.012527
192.4013 4.114075
192.8834 3.494171
193.3655 5.399933
193.8476 7.273499
194.3298 8.105637
194.8119 7.840271
195.2940 6.310181
195.7761 2.749512
196.2582 2.277435
196.7403 5.273499
197.2225 4.708771
197.7046 3.201660
198.1867 2.715134
198.6688 3.286713
199.1509 4.126999
199.6330 4.746292
200.1152 5.255539
200.5973 5.888702
201.0794 6.443893
201.5615 7.294434
202.0436 9.225128
202.5257 12.56883
203.0079 15.47520
203.4900 16.56151
203.9721 16.60039
204.4542 16.38379
204.9363 15.95872
205.4184 15.60538
205.9006 15.89906
206.3827 17.02530
206.8648 18.41025
207.3469 20.22488
207.8290 22.01859
208.3111 23.11032
208.7933 22.96138
209.2754 22.12680
209.7575 22.33174
210.2396 24.43312
210.7217 26.24112
211.2038 26.86546
211.6860 26.94379
212.1681 27.33769
212.6502 28.58797
213.1323 30.40704
213.6144 31.46652
214.0965 31.05208
214.5787 30.70207
215.0608 30.48170
215.5429 30.54344
216.0250 31.14931
216.5071 32.49640
216.9892 34.41060
217.4714 35.87740
217.9535 36.27805
218.4356 36.84914
218.9177 38.00150
219.3998 39.40305
219.8819 40.49156
220.3641 40.91551
220.8462 40.82266
221.3283 41.17288
221.8104 42.43166
222.2925 43.57886
222.7746 44.48904
223.2568 45.14835
223.7389 45.39999
224.2210 45.05502
224.7031 44.37790
225.1852 44.93753
225.6673 47.79124
226.1495 50.43172
226.6316 52.25945
227.1137 53.33975
227.5958 53.69955
228.0779 53.13164
228.5600 52.10605
229.0422 52.47754
229.5243 54.95903
230.0064 57.62337
230.4885 59.63802
230.9706 61.24992
231.4527 63.24977
231.9349 66.17784
232.4170 69.56386
232.8991 72.27037
233.3812 74.30943
233.8633 75.76665
234.3454 76.02789
234.8276 75.51454
235.3097 76.08394
235.7918 78.81456
236.2739 82.59924
236.7560 85.56989
237.2381 87.60968
237.7203 89.41306
238.2024 91.13467
238.6845 92.81963
239.1666 95.04550
239.6487 98.50867
240.1308 102.0811
240.6130 104.0154
241.0951 103.9966
241.5772 104.6690
242.0593 108.6679
242.5414 115.8094
243.0235 122.2491
243.5057 126.4600
243.9878 129.6412
244.4699 132.6382
244.9520 135.5829
245.4341 138.8597
245.9162 142.7704
246.3984 147.3343
246.8805 152.4018
247.3626 157.5723
247.8447 163.6947
248.3268 171.7377
248.8089 181.4948
249.2911 191.3583
249.7732 199.4045
250.2553 205.5313
250.7374 213.1617
251.2195 223.1626
251.7016 233.9971
252.1838 244.7124
252.6659 255.5729
253.1480 267.9078
253.6301 283.0347
254.1122 301.2190
254.5943 319.8013
255.0765 337.4203
255.5586 356.7256
256.0407 378.6870
256.5228 403.3330
257.0049 430.2138
257.4870 459.0861
257.9691 489.9550
258.4513 522.2279
258.9334 554.7527
259.4155 590.2767
259.8976 631.0120
260.3797 675.4814
260.8618 720.6084
261.3440 763.9240
261.8261 805.7098
262.3082 849.2264
262.7903 899.1996
263.2724 945.9119
263.7545 986.5048
264.2367 1022.333
264.7188 1055.781
265.2009 1088.059
265.6830 1119.440
266.1651 1151.005
266.6472 1182.818
267.1294 1214.933
267.6115 1247.007
268.0936 1279.492
268.5757 1312.936
269.0578 1347.527
269.5399 1383.494
270.0221 1421.660
270.5042 1461.833
270.9863 1504.648
271.4684 1550.982
271.9505 1599.782
272.4326 1649.260
272.9148 1698.817
273.3969 1749.634
273.8790 1804.736
274.3611 1865.479
274.8432 1929.717
275.3253 1996.849
275.8075 2067.841
276.2896 2145.367
276.7717 2230.413
277.2538 2319.531
277.7359 2407.239
278.2180 2498.711
278.7002 2579.709
279.1823 2654.245
279.6644 2715.786
280.1465 2762.054
280.6286 2791.428
281.1107 2797.116
281.5929 2769.323
282.0750 2699.911
282.5571 2606.311
283.0392 2480.453
283.5213 2335.653
284.0034 2177.469
284.4856 2008.527
284.9677 1837.124
285.4498 1670.770
285.9319 1509.214
286.4140 1360.614
286.8961 1224.440
287.3783 1100.580
287.8604 990.7346
288.3425 894.4020
288.8246 808.3034
289.3067 731.0653
289.7888 663.2034
290.2710 603.0622
290.7531 551.5585
291.2352 505.8689
291.7173 465.4044
292.1994 429.6985
292.6815 397.0541
293.1637 366.4846
293.6458 338.2426
294.1279 313.2506
294.6100 292.4547
295.0921 273.5203
295.5742 255.5123
296.0564 238.5984
296.5385 223.4410
297.0206 210.4849
297.5027 199.2301
297.9848 188.0312
298.4669 176.3955
298.9491 165.5969
299.4312 156.1579
299.9133 147.7379
300.3954 139.7218
300.8775 131.8672
301.3596 124.2778
301.8418 117.1998
302.3239 110.3791
302.8060 104.4203
303.2881 99.77682
303.7702 95.99391
304.2523 92.72321
304.7345 89.97264
305.2166 87.00932
305.6987 82.57082
306.1808 76.45064
306.6629 71.55104
307.1451 69.20587
307.6272 67.75484
308.1093 65.56755
308.5914 62.43277
309.0735 58.82704
309.5556 54.92258
310.0378 50.80275
310.5199 47.45441
311.0020 45.38609
311.4841 43.77539
311.9662 42.01846
312.4483 40.10750
312.9305 38.30853
313.4126 36.82817
313.8947 35.58452
314.3768 34.11935
314.8589 32.48097
315.3410 30.59764
315.8232 28.09531
316.3053 25.22601
316.7874 22.92859
317.2695 21.70369
317.7516 21.23769
318.2337 20.74921
318.7159 20.18745
319.1980 19.70863
319.6801 19.56073
320.1622 19.51421
320.6443 19.09305
321.1264 18.12602
321.6086 16.82130
322.0907 15.39755
322.5728 13.77844
323.0549 12.50052
323.5370 11.97290
324.0191 11.72722
324.5013 11.18285
324.9834 10.23157
325.4655 9.092712
325.9476 7.885483
326.4297 6.621109
326.9118 5.595306
327.3940 5.253784
327.8761 4.879333
328.3582 3.477203
328.8403 1.161942
329.3224 0.4465480
329.8045 0.1401060
330.2867 2.549896
330.7688 3.724091
331.2509 2.684052
331.7330 1.119034
332.2151 0.3391420
332.6972 1.541588
333.1794 2.066452
333.6615 1.530525
334.1436 0.4342350
334.6257 0.1748350
335.1078 0.9848630
335.5899 1.934601
336.0721 3.044403
336.5542 4.085457
337.0363 4.654327
337.5184 4.632584
338.0005 4.117287
338.4826 3.026360
338.9648 1.008263
339.4469 4.8492000E-02
339.9290 0.9826660
340.4111 2.584053
340.8932 3.083984
341.3753 2.314461
341.8575 1.562126
342.3396 2.115768
342.8217 4.069443
343.3038 5.093719
343.7859 5.060997
344.2680 4.379845
344.7502 2.791481
345.2323 0.6209260
345.7144 1.028603
346.1965 1.405167
346.6786 0.7034000
347.1607 7.0039998E-03
347.6429 1.022263
348.1250 1.679756
348.6071 1.670776
349.0892 1.206779
349.5713 0.5157700
350.0534 0.3660580
350.5356 1.172615
351.0177 1.254311
351.4998 0.1386720
351.9819 0.9730380
352.4640 0.8364410
352.9461 0.2449190
353.4283 0.4195860
353.9104 1.052261
354.3925 1.606064
354.8746 2.050529
355.3567 2.418785
355.8388 2.447983
356.3210 1.664070
356.8031 0.9757460
357.2852 1.064087
357.7673 1.722809
358.2494 2.140739
358.7315 1.664124
359.2137 0.4523620
359.6958 0.1863100
360.1779 2.015678
360.6600 3.405907
361.1421 3.443680
361.6242 2.853043
362.1064 2.732559
362.5885 3.547478
363.0706 4.775749
363.5527 5.265755
364.0348 4.354042
364.5169 3.699509
364.9991 3.185425
365.4812 2.998314
365.9633 3.428764
366.4454 4.435059
366.9275 5.573936
367.4096 6.342911
367.8918 6.658348
368.3739 7.046394
368.8560 8.191620
369.3381 8.740196
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370.3023 5.402542
370.7845 3.680252
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371.7487 4.451141
372.2308 5.366570
372.7129 6.239258
373.1950 6.920090
373.6772 7.286888
374.1593 7.500793
374.6414 7.772156
375.1235 8.169090
375.6056 8.497513
376.0877 8.278069
376.5699 7.059929
377.0520 6.592400
377.5341 8.047287
378.0162 9.425461
378.4983 9.439354
378.9804 8.163963
379.4626 6.680908
379.9447 6.023239
380.4268 6.168350
380.9089 5.885483
381.3910 4.754234
381.8731 3.721428
382.3553 2.963005
382.8374 2.572304
383.3195 2.766220
383.8016 3.811600
384.2837 5.243004
384.7658 6.099503
385.2480 6.326866
385.7301 6.167297
386.2122 5.645538
386.6943 4.797882
387.1764 3.303429
387.6585 1.097588
388.1407 0.6173860
388.6228 0.3444140
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389.5870 3.335243
390.0691 3.954002
390.5512 4.098328
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392.4797 3.554581
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393.9261 3.917023
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394.8903 5.132645
395.3724 5.148338
395.8545 4.563278
396.3366 3.044876
396.8188 1.575287
397.3009 0.7786330
397.7830 0.5421370
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398.7472 1.063309
399.2293 1.546265
399.7115 1.161964
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401.6399 1.503372
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403.0863 0.5977480
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405.0147 2.405388
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411.2823 4.258270
411.7644 4.173332
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412.7286 2.177063
413.2107 1.773720
413.6928 3.233833
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414.6571 4.840454
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418.9961 0.7603680
419.4782 0.7980580
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420.4425 1.891777
420.9246 2.750221
421.4067 3.828629
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422.8531 3.543068
423.3352 3.596596
423.8173 3.908195
424.2994 4.156334
424.7815 4.201431
425.2636 4.105064
425.7458 3.832199
426.2279 3.197395
426.7100 3.184654
427.1921 4.986420
427.6742 6.872276
428.1563 7.515556
428.6385 6.837280
429.1206 5.733902
429.6027 4.355003
430.0848 3.004440
430.5669 3.075951
431.0490 5.291161
431.5312 7.357971
432.0133 7.207397
432.4954 5.738937
432.9775 4.588509
433.4596 4.244972
433.9417 4.195030
434.4239 3.975609
434.9060 3.628761
435.3881 3.405533
435.8702 3.342354
436.3523 3.542236
436.8344 4.391823
437.3166 6.072937
437.7987 7.164993
438.2808 6.822578
438.7629 5.959793
439.2450 5.779976
439.7271 6.373016
440.2093 6.679520
440.6914 5.642128
441.1735 3.387016
441.6556 2.350494
442.1377 3.028221
442.6198 4.162712
443.1020 5.960373
443.5841 7.787102
444.0662 8.478142
444.5483 7.599365
445.0304 6.039192
445.5125 5.260361
445.9947 5.490486
446.4768 6.051872
446.9589 7.996498
447.4410 9.447281
447.9231 8.951256
448.4052 6.904274
448.8874 4.751976
449.3695 3.537003
449.8516 3.115837
450.3337 2.652206
450.8158 1.811592
451.2979 1.478310
451.7801 2.270836
452.2622 3.343132
452.7443 3.841293
453.2264 3.561996
453.7085 3.057465
454.1906 3.006500
454.6728 3.401787
455.1549 3.498390
455.6370 2.987602
456.1191 2.620796
456.6012 2.848206
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1 elmendili 2018-07-16T11:33:44+0300 'journal reference changed'
