#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:32:14 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1265 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000562.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_1000562
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        R150075
_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            1000562.rod
_rod_data_source.block           1000562
_rod_database.code               1000562
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
94.45264 0.0000000E+00
94.93475 1.754517
95.41687 3.527344
95.89898 2.526367
96.38110 0.6008300
96.86321 1.193726
97.34533 4.643921
97.82745 8.152710
98.30956 10.77173
98.79168 11.77496
99.27380 11.70874
99.75591 10.88416
100.2380 9.689392
100.7201 8.886108
101.2023 8.381653
101.6844 7.994263
102.1665 8.497437
102.6486 10.14355
103.1307 13.02155
103.6128 16.55988
104.0950 20.82623
104.5771 25.76123
105.0592 30.77435
105.5413 32.50574
106.0234 33.72650
106.5055 34.36420
106.9877 35.12494
107.4698 40.02509
107.9519 53.28577
108.4340 63.25391
108.9161 63.35974
109.3982 54.83240
109.8804 43.75659
110.3625 33.52771
110.8446 23.65637
111.3267 16.60529
111.8088 14.07019
112.2909 12.57782
112.7731 11.20923
113.2552 9.900940
113.7373 8.310120
114.2194 5.867493
114.7015 0.8281860
115.1836 1.761108
115.6658 0.1088870
116.1479 3.036255
116.6300 5.033081
117.1121 4.925293
117.5942 3.465759
118.0763 2.345032
118.5584 1.722168
119.0406 1.072754
119.5227 1.8859999E-02
120.0048 1.228333
120.4869 2.188171
120.9690 2.782410
121.4511 2.818726
121.9333 2.426880
122.4154 2.271545
122.8975 0.6046140
123.3796 5.431396
123.8617 16.61090
124.3438 26.10297
124.8260 28.43793
125.3081 28.08655
125.7902 28.75653
126.2723 31.71246
126.7544 36.38837
127.2365 41.59619
127.7187 47.49768
128.2008 53.74622
128.6829 59.69366
129.1650 65.95587
129.6471 73.27551
130.1292 82.08264
130.6114 92.37378
131.0935 104.1051
131.5756 117.1435
132.0577 131.9642
132.5398 148.5786
133.0219 167.1270
133.5041 187.7397
133.9862 210.6241
134.4683 236.0748
134.9504 263.1690
135.4325 292.9634
135.9146 323.3160
136.3968 353.5814
136.8789 383.4432
137.3610 411.9296
137.8431 437.3970
138.3252 459.3038
138.8073 480.9648
139.2895 502.0532
139.7716 523.2087
140.2537 544.8866
140.7358 566.9401
141.2179 590.4192
141.7000 616.4980
142.1821 644.7487
142.6643 675.9769
143.1464 710.1891
143.6285 746.5839
144.1106 785.0933
144.5927 825.8510
145.0748 872.4093
145.5570 925.9645
146.0391 986.3524
146.5212 1053.216
147.0033 1126.690
147.4854 1206.942
147.9675 1293.690
148.4497 1382.376
148.9318 1482.523
149.4139 1598.818
149.8960 1732.148
150.3781 1884.933
150.8602 2057.897
151.3424 2249.035
151.8245 2472.821
152.3066 2735.854
152.7887 3022.820
153.2708 3334.865
153.7529 3669.302
154.2351 4011.440
154.7172 4325.381
155.1993 4663.691
155.6814 4894.995
156.1635 5019.149
156.6456 5034.471
157.1278 4928.234
157.6099 4691.203
158.0920 4343.003
158.5741 3958.906
159.0562 3492.795
159.5383 3047.065
160.0205 2638.423
160.5026 2268.867
160.9847 1941.744
161.4668 1662.511
161.9489 1430.846
162.4310 1233.255
162.9131 1076.845
163.3953 944.0579
163.8774 829.0635
164.3595 731.1773
164.8416 646.7962
165.3237 576.8367
165.8058 519.5846
166.2880 468.8923
166.7701 425.1426
167.2522 386.6068
167.7343 351.9770
168.2164 321.5233
168.6985 293.9496
169.1807 269.2667
169.6628 247.0317
170.1449 227.0561
170.6270 209.7066
171.1091 194.4350
171.5912 179.9892
172.0734 166.1912
172.5555 153.6010
173.0376 142.4802
173.5197 132.5833
174.0018 123.1720
174.4839 113.7914
174.9661 104.4496
175.4482 95.54715
175.9303 86.83896
176.4124 78.99078
176.8945 72.58331
177.3766 67.08319
177.8588 61.61301
178.3409 55.43655
178.8230 48.54901
179.3051 43.01959
179.7872 39.96628
180.2693 37.18472
180.7515 34.37225
181.2336 31.51285
181.7157 28.50745
182.1978 25.20172
182.6799 21.45865
183.1620 18.11383
183.6441 14.74637
184.1263 12.04498
184.6084 10.69162
185.0905 10.50378
185.5726 10.53378
186.0547 9.930634
186.5368 8.581116
187.0190 7.293091
187.5011 5.981689
187.9832 4.821655
188.4653 4.197113
188.9474 4.077454
189.4296 3.614838
189.9117 1.802887
190.3938 1.324249
190.8759 4.256622
191.3580 7.770508
191.8401 10.56772
192.3223 10.50464
192.8044 6.834595
193.2865 2.970673
193.7686 2.736847
194.2507 5.121155
194.7328 7.382507
195.2150 8.691956
195.6971 9.330627
196.1792 9.912231
196.6613 10.63052
197.1434 10.93686
197.6255 10.17130
198.1077 8.684387
198.5898 7.342102
199.0719 6.795013
199.5540 6.812256
200.0361 6.388214
200.5182 5.348633
201.0004 4.040222
201.4825 2.455444
201.9646 0.7546390
202.4467 0.6443480
202.9288 1.170502
203.4109 0.9187320
203.8930 1.578461
204.3752 4.211975
204.8573 6.714081
205.3394 8.452576
205.8215 9.432373
206.3036 9.790283
206.7857 9.494995
207.2679 8.497528
207.7500 7.820068
208.2321 7.384064
208.7142 7.369598
209.1963 7.883728
209.6784 8.894562
210.1606 10.34756
210.6427 12.31937
211.1248 14.94699
211.6069 16.78070
212.0890 17.16837
212.5711 17.45065
213.0533 18.03922
213.5354 18.98462
214.0175 20.27417
214.4996 22.02078
214.9817 24.46594
215.4638 25.51447
215.9460 23.62628
216.4281 22.02194
216.9102 22.49530
217.3923 24.88928
217.8744 27.88489
218.3565 30.43460
218.8387 32.54050
219.3208 33.43970
219.8029 31.92050
220.2850 30.32812
220.7671 30.14117
221.2492 31.36325
221.7314 33.01920
222.2135 34.23563
222.6956 35.00113
223.1777 36.47580
223.6598 39.42194
224.1419 42.51379
224.6240 44.73926
225.1062 46.06146
225.5883 46.99985
226.0704 47.59558
226.5525 48.08591
227.0346 49.85846
227.5167 54.47589
227.9989 59.49359
228.4810 62.35785
228.9631 62.89139
229.4452 63.22513
229.9273 64.81552
230.4094 67.41245
230.8916 70.31036
231.3737 73.41281
231.8558 76.75696
232.3379 80.54163
232.8200 84.85538
233.3021 88.96768
233.7843 91.88400
234.2664 94.40469
234.7485 97.84830
235.2306 103.1401
235.7127 108.9947
236.1948 113.4802
236.6770 116.2342
237.1591 119.2173
237.6412 123.3922
238.1233 128.4063
238.6054 134.0530
239.0875 140.3389
239.5697 147.1324
240.0518 154.2753
240.5339 161.9221
241.0160 169.5181
241.4981 177.3101
241.9802 184.7611
242.4624 191.0366
242.9445 195.5612
243.4266 199.6740
243.9087 205.7088
244.3908 214.1079
244.8729 223.2495
245.3550 232.8406
245.8372 242.7946
246.3193 252.9227
246.8014 263.1519
247.2835 273.8792
247.7656 286.1234
248.2477 300.3992
248.7299 314.4244
249.2120 327.1111
249.6941 339.7236
250.1762 353.0338
250.6583 367.5340
251.1404 383.6837
251.6226 402.3799
252.1047 424.3755
252.5868 446.6158
253.0689 467.9750
253.5510 490.0551
254.0331 513.9319
254.5153 539.8746
254.9974 567.8206
255.4795 597.6242
255.9616 627.9464
256.4437 663.5491
256.9258 704.6280
257.4080 749.5546
257.8901 797.6993
258.3722 848.8080
258.8543 903.0191
259.3364 960.1237
259.8185 1018.417
260.3007 1084.873
260.7828 1160.613
261.2649 1242.210
261.7470 1328.143
262.2291 1418.125
262.7112 1511.091
263.1934 1606.770
263.6755 1706.374
264.1576 1804.308
264.6397 1902.655
265.1218 1997.716
265.6039 2087.046
266.0861 2170.462
266.5682 2249.097
267.0503 2323.394
267.5324 2391.984
268.0145 2463.921
268.4966 2542.241
268.9788 2620.415
269.4609 2693.446
269.9430 2762.641
270.4251 2832.947
270.9072 2908.063
271.3893 2987.474
271.8715 3074.958
272.3536 3171.236
272.8357 3272.676
273.3178 3376.151
273.7999 3483.041
274.2820 3596.232
274.7642 3717.126
275.2463 3846.290
275.7284 3989.375
276.2105 4145.330
276.6926 4312.608
277.1747 4489.601
277.6568 4678.263
278.1389 4884.233
278.6211 5113.112
279.1032 5357.946
279.5853 5590.849
280.0674 5823.781
280.5495 6035.136
281.0316 6234.862
281.5138 6407.903
281.9959 6532.255
282.4780 6601.193
282.9601 6607.635
283.4422 6523.290
283.9243 6342.062
284.4065 6103.119
284.8886 5795.547
285.3707 5439.508
285.8528 5056.267
286.3349 4648.861
286.8170 4235.892
287.2992 3842.875
287.7813 3468.333
288.2634 3120.422
288.7455 2801.494
289.2276 2511.671
289.7097 2255.642
290.1919 2034.642
290.6740 1841.144
291.1561 1666.538
291.6382 1512.420
292.1203 1373.743
292.6024 1253.355
293.0846 1146.472
293.5667 1049.089
294.0488 960.2399
294.5309 880.9968
295.0130 813.7156
295.4951 759.0760
295.9773 706.9716
296.4594 655.1431
296.9415 607.1049
297.4236 566.6472
297.9057 533.6395
298.3878 503.2152
298.8700 472.0359
299.3521 440.7134
299.8342 412.1788
300.3163 387.1893
300.7984 364.6219
301.2805 344.1996
301.7627 325.7275
302.2448 307.9407
302.7269 289.9405
303.2090 272.3259
303.6911 256.5446
304.1732 242.7282
304.6554 230.1262
305.1375 218.8756
305.6196 208.6132
306.1017 198.3264
306.5838 187.5431
307.0659 176.7700
307.5481 167.0673
308.0302 158.3755
308.5123 150.4409
308.9944 143.5841
309.4765 137.3643
309.9586 131.1247
310.4408 124.7237
310.9229 118.2745
311.4050 111.7816
311.8871 105.1387
312.3692 99.46063
312.8513 95.71484
313.3335 92.70816
313.8156 88.89374
314.2977 84.03455
314.7798 79.06705
315.2619 74.79898
315.7440 71.20807
316.2262 67.80487
316.7083 64.55707
317.1904 61.47763
317.6725 58.51431
318.1546 55.67191
318.6367 53.26712
319.1188 51.87573
319.6010 51.03806
320.0831 48.72159
320.5652 43.13882
321.0473 37.88147
321.5294 35.31302
322.0115 34.81949
322.4937 34.17230
322.9758 32.32913
323.4579 29.73129
323.9400 27.58353
324.4221 26.07571
324.9042 24.50162
325.3864 22.46338
325.8685 20.20703
326.3506 18.13461
326.8327 16.34784
327.3148 14.86316
327.7969 13.80432
328.2791 13.24371
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329.2433 11.81171
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336.4750 0.7401890
336.9572 1.455017
337.4393 1.419846
337.9214 0.4046020
338.4035 3.286194
338.8856 5.478531
339.3677 6.157990
339.8499 5.697128
340.3320 4.964127
340.8141 3.638321
341.2962 2.648453
341.7783 2.155045
342.2604 2.128922
342.7426 2.701920
343.2247 3.896683
343.7068 5.125443
344.1889 5.495392
344.6710 4.436203
345.1531 4.298660
345.6353 6.315399
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347.5637 5.891266
348.0458 4.267319
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349.0101 1.904633
349.4922 1.618881
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352.3849 2.328598
352.8670 1.904114
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353.8312 1.301300
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357.6882 4.137421
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359.1345 3.038254
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360.5808 3.690048
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363.9557 5.262207
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368.7768 7.010254
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371.6695 10.86201
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374.0801 11.99072
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375.0443 11.92599
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376.4907 14.60629
376.9728 14.61043
377.4549 14.14526
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378.9013 13.33398
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380.3476 14.31071
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381.7940 13.61946
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383.7224 13.85439
384.2046 13.03677
384.6867 12.40222
385.1688 11.87215
385.6509 11.34140
386.1330 10.91066
386.6151 10.92838
387.0973 11.57184
387.5794 12.01643
388.0615 11.49916
388.5436 10.55127
389.0257 9.885696
389.5078 9.585236
389.9900 9.681992
390.4721 10.60019
390.9542 12.16547
391.4363 12.90440
391.9184 12.02481
392.4005 10.47577
392.8827 9.451416
393.3648 8.934464
393.8469 8.956802
394.3290 10.02780
394.8111 11.47128
395.2932 12.23654
395.7754 12.15253
396.2575 11.41850
396.7396 10.06816
397.2217 8.234161
397.7038 6.805573
398.1859 5.787155
398.6681 5.249619
399.1501 5.531830
399.6323 6.354462
400.1144 6.759842
400.5965 6.206650
401.0786 5.004623
401.5607 4.122726
402.0428 3.706253
402.5250 3.467453
403.0071 3.292587
403.4892 3.088257
403.9713 2.945999
404.4534 2.962738
404.9355 3.032013
405.4177 2.963562
405.8998 2.740875
406.3819 2.308884
406.8640 1.194061
407.3461 0.2633820
407.8282 0.1315310
408.3104 0.5288090
408.7925 0.6760250
409.2746 4.1260000E-02
409.7567 1.060562
410.2388 1.235184
410.7209 0.9075620
411.2031 2.189728
411.6852 1.655991
412.1673 0.5734560
412.6494 0.2544400
413.1315 0.9517970
413.6136 1.784454
414.0958 1.439133
414.5779 0.5680850
415.0600 1.422623
415.5421 0.1849520
416.0242 1.184448
416.5063 2.116806
416.9885 2.564590
417.4706 2.544067
417.9527 1.919571
418.4348 0.9826510
418.9169 0.8161010
419.3990 1.909195
419.8812 2.673859
420.3633 2.269379
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1 elmendili 2018-07-16T11:32:12+0300 'journal reference changed'
