#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:33:38 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1266 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000566.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_1000566
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 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            1000566.rod
_rod_data_source.block           1000566
_rod_database.code               1000566
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
129.2944 0.0000000E+00
129.7765 3.070862
130.2586 2.178864
130.7408 1.311737
131.2229 10.64865
131.7050 25.61456
132.1871 47.09622
132.6692 73.52094
133.1513 101.2835
133.6335 130.7103
134.1156 158.7757
134.5977 183.2522
135.0798 203.8463
135.5619 221.6296
136.0440 236.6189
136.5262 248.2584
137.0083 260.8934
137.4904 275.9136
137.9725 292.0686
138.4546 308.1904
138.9367 323.7934
139.4189 340.1145
139.9010 359.5132
140.3831 382.5088
140.8652 408.0004
141.3473 436.1054
141.8294 466.1180
142.3116 497.0626
142.7937 528.5990
143.2758 560.7311
143.7579 594.3948
144.2400 629.4673
144.7221 665.9495
145.2043 702.5373
145.6864 740.5975
146.1685 782.2083
146.6506 829.1671
147.1327 881.1152
147.6148 933.5557
148.0970 982.0510
148.5791 1034.758
149.0612 1094.191
149.5433 1160.716
150.0254 1235.428
150.5075 1318.719
150.9896 1412.439
151.4718 1514.482
151.9539 1631.997
152.4360 1754.319
152.9181 1880.570
153.4002 2014.666
153.8823 2129.257
154.3645 2206.641
154.8466 2249.163
155.3287 2243.143
155.8108 2174.208
156.2929 2054.511
156.7750 1906.202
157.2572 1714.832
157.7393 1516.663
158.2214 1326.105
158.7035 1145.731
159.1856 982.2296
159.6677 840.2278
160.1499 719.6571
160.6320 614.2083
161.1141 529.5258
161.5962 457.6794
162.0783 397.7879
162.5604 347.8677
163.0426 304.9620
163.5247 266.8156
164.0068 234.1247
164.4889 205.2678
164.9710 180.3790
165.4531 158.5441
165.9353 139.9106
166.4174 124.2726
166.8995 110.8485
167.3816 98.86761
167.8637 88.74530
168.3458 79.09583
168.8280 69.46146
169.3101 60.51363
169.7922 52.89719
170.2743 46.71428
170.7564 41.48511
171.2385 36.52928
171.7207 31.91066
172.2028 27.57254
172.6849 23.58002
173.1670 19.83665
173.6491 16.10944
174.1312 12.24916
174.6133 8.709305
175.0955 6.671402
175.5776 6.412750
176.0597 5.584686
176.5418 2.778809
177.0239 1.086334
177.5060 3.896637
177.9882 4.747757
178.4703 4.688538
178.9524 5.216507
179.4345 6.372116
179.9166 7.575851
180.3987 8.490265
180.8809 9.144775
181.3630 9.701843
181.8451 9.995712
182.3272 10.40750
182.8093 11.41714
183.2914 13.09145
183.7736 14.68387
184.2557 15.39171
184.7378 15.10330
185.2199 14.82181
185.7020 14.69376
186.1841 14.69626
186.6663 14.86246
187.1484 14.73274
187.6305 14.62114
188.1126 14.34666
188.5947 13.94839
189.0768 13.23428
189.5590 11.93755
190.0411 10.53206
190.5232 9.344788
191.0053 8.480865
191.4874 7.821777
191.9695 7.156784
192.4517 6.539032
192.9338 5.824020
193.4159 5.104919
193.8980 4.259552
194.3801 3.186813
194.8622 1.849670
195.3443 0.2776790
195.8265 1.462234
196.3086 3.647079
196.7907 5.687698
197.2728 7.774368
197.7549 9.644791
198.2370 10.82684
198.7192 11.09642
199.2013 10.93108
199.6834 11.68073
200.1655 14.06093
200.6476 16.24744
201.1297 17.76904
201.6119 18.93779
202.0940 20.30006
202.5761 22.13857
203.0582 24.18256
203.5403 25.68040
204.0224 26.48300
204.5046 27.20045
204.9867 28.01151
205.4688 28.90065
205.9509 29.82089
206.4330 30.74234
206.9151 31.70819
207.3973 32.78848
207.8794 34.00290
208.3615 35.26178
208.8436 36.56737
209.3257 37.89684
209.8078 39.09818
210.2900 39.97385
210.7721 40.81645
211.2542 42.04088
211.7363 43.75749
212.2184 45.45575
212.7005 46.73718
213.1827 47.60077
213.6648 48.24098
214.1469 48.55124
214.6290 48.76021
215.1111 49.04591
215.5932 49.43288
216.0754 49.89821
216.5575 50.34315
217.0396 50.71216
217.5217 51.44093
218.0038 53.16315
218.4859 54.97739
218.9680 56.30278
219.4502 57.02579
219.9323 57.49239
220.4144 58.11581
220.8965 58.91699
221.3786 59.83376
221.8607 60.70818
222.3429 61.78468
222.8250 63.30684
223.3071 65.30737
223.7892 67.51962
224.2713 69.60107
224.7534 71.64049
225.2356 73.30759
225.7177 74.03581
226.1998 74.82610
226.6819 76.50877
227.1640 79.19704
227.6461 82.23714
228.1283 84.54219
228.6104 85.44753
229.0925 86.89638
229.5746 89.21533
230.0567 91.74629
230.5388 93.92480
231.0210 95.66830
231.5031 97.44186
231.9852 100.0158
232.4673 104.0364
232.9494 107.5344
233.4315 110.2941
233.9137 112.7563
234.3958 115.0154
234.8779 117.0487
235.3600 119.2134
235.8421 122.0970
236.3242 126.1809
236.8064 130.1034
237.2885 133.9152
237.7706 137.5014
238.2527 140.5638
238.7348 143.1130
239.2169 145.7561
239.6991 149.2629
240.1812 153.9576
240.6633 158.6268
241.1454 162.9121
241.6275 167.2905
242.1096 172.4181
242.5918 178.4153
243.0739 184.7845
243.5560 190.8698
244.0381 196.6320
244.5202 202.5247
245.0023 208.1941
245.4845 214.2695
245.9666 221.2645
246.4487 229.2418
246.9308 238.3938
247.4129 249.3718
247.8950 262.0489
248.3772 274.5492
248.8593 286.0617
249.3414 297.4983
249.8235 309.4700
250.3056 321.9066
250.7877 335.9184
251.2699 352.8093
251.7520 372.0482
252.2341 392.4969
252.7162 413.4005
253.1983 435.6585
253.6804 459.9081
254.1626 486.2169
254.6447 514.6764
255.1268 545.2813
255.6089 578.2407
256.0910 614.7330
256.5731 655.4753
257.0552 699.6454
257.5374 746.2232
258.0195 795.1245
258.5016 846.8761
258.9837 902.7938
259.4658 961.8134
259.9479 1023.489
260.4301 1088.482
260.9122 1155.036
261.3943 1221.354
261.8764 1288.146
262.3585 1352.743
262.8406 1413.140
263.3228 1470.834
263.8049 1526.524
264.2870 1580.201
264.7691 1632.604
265.2512 1684.097
265.7333 1734.698
266.2155 1785.235
266.6976 1833.445
267.1797 1883.386
267.6618 1938.748
268.1439 2000.366
268.6260 2065.630
269.1082 2131.362
269.5903 2197.478
270.0724 2265.415
270.5545 2334.087
271.0366 2405.554
271.5187 2481.919
272.0009 2563.340
272.4830 2647.213
272.9651 2730.711
273.4472 2813.123
273.9293 2898.969
274.4114 2988.168
274.8936 3081.963
275.3757 3182.947
275.8578 3290.126
276.3399 3400.719
276.8220 3513.231
277.3041 3627.822
277.7863 3739.783
278.2684 3855.094
278.7505 3962.365
279.2326 4063.973
279.7147 4154.482
280.1968 4222.026
280.6790 4258.659
281.1611 4264.866
281.6432 4230.408
282.1253 4147.679
282.6074 4024.958
283.0895 3854.137
283.5717 3644.259
284.0538 3411.833
284.5359 3164.933
285.0180 2905.363
285.5001 2653.461
285.9822 2405.073
286.4644 2172.784
286.9465 1958.625
287.4286 1762.773
287.9107 1587.039
288.3928 1432.102
288.8749 1296.271
289.3571 1172.154
289.8392 1060.586
290.3213 961.8732
290.8034 878.1252
291.2855 805.1963
291.7676 738.6365
292.2498 676.6343
292.7319 619.7853
293.2140 569.9395
293.6961 530.2219
294.1782 493.1240
294.6603 457.2775
295.1425 423.9216
295.6246 394.5137
296.1067 369.4084
296.5888 347.3933
297.0709 326.3054
297.5530 306.2065
298.0351 287.1180
298.5172 268.5038
298.9994 251.1440
299.4815 235.3858
299.9636 221.3141
300.4457 208.8051
300.9278 197.8103
301.4099 188.9836
301.8921 179.5274
302.3742 168.3763
302.8563 157.5006
303.3384 147.7357
303.8205 139.1425
304.3026 131.5758
304.7848 125.0055
305.2669 119.4837
305.7490 113.9626
306.2311 108.1057
306.7132 102.5660
307.1953 97.69147
307.6775 93.31335
308.1596 89.08977
308.6417 84.76880
309.1238 80.39343
309.6059 76.30510
310.0880 72.80453
310.5702 69.12071
311.0523 64.77104
311.5344 60.33989
312.0165 56.72591
312.4986 54.42384
312.9807 52.91515
313.4629 50.40698
313.9450 45.17041
314.4271 41.16243
314.9092 39.28059
315.3913 38.42735
315.8734 37.74675
316.3556 36.89168
316.8377 35.71071
317.3198 33.85596
317.8019 30.61034
318.2840 28.00577
318.7661 26.18042
319.2483 24.80074
319.7304 23.81119
320.2125 23.09444
320.6946 22.33575
321.1767 21.14821
321.6588 19.36089
322.1410 17.79105
322.6231 16.67406
323.1052 15.53500
323.5873 13.95581
324.0694 12.08408
324.5515 10.52769
325.0337 9.878204
325.5158 10.15875
325.9979 9.714706
326.4800 7.776352
326.9621 5.874374
327.4442 4.355240
327.9264 3.173279
328.4085 2.161545
328.8906 1.191986
329.3727 0.3292690
329.8548 3.4958001E-02
330.3369 0.8301700
330.8191 1.298141
331.3012 0.9938960
331.7833 0.3541870
332.2654 0.6343840
332.7475 1.913330
333.2296 2.548874
333.7118 0.1300350
334.1939 9.616486
334.6760 14.05418
335.1581 9.104340
335.6402 2.370911
336.1223 0.8558650
336.6045 4.1244999E-02
337.0866 2.114090
337.5687 1.923843
338.0508 1.174713
338.5329 3.528290
339.0150 5.106125
339.4972 5.975510
339.9793 5.748917
340.4614 4.808151
340.9435 4.010712
341.4256 4.055618
341.9077 4.821426
342.3898 5.027130
342.8719 4.002121
343.3541 3.186325
343.8362 3.056183
344.3183 3.247238
344.8004 3.231354
345.2825 2.746643
345.7646 2.020279
346.2468 1.617844
346.7289 1.662521
347.2110 1.739090
347.6931 1.941803
348.1752 2.096588
348.6573 1.992767
349.1395 1.598083
349.6216 1.142593
350.1037 0.9561920
350.5858 1.116760
351.0679 1.256042
351.5500 1.329483
352.0322 1.377777
352.5143 1.383286
352.9964 1.372574
353.4785 1.452667
353.9606 1.812141
354.4427 2.411133
354.9249 2.518227
355.4070 1.654900
355.8891 0.8831020
356.3712 0.5976100
356.8533 0.6364590
357.3354 0.7488170
357.8176 0.8313290
358.2997 0.8790890
358.7818 0.8707120
359.2639 0.8023070
359.7460 0.6785050
360.2281 0.5056760
360.7103 0.2913670
361.1924 9.5670000E-03
361.6745 0.4138260
362.1566 0.7629390
362.6387 0.8193050
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364.0851 0.3963700
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365.0493 0.3704990
365.5314 0.1720660
366.0135 8.5297003E-02
366.4957 0.5666660
366.9778 1.121613
367.4599 0.9425350
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368.4241 1.714508
368.9063 2.136314
369.3884 1.989990
369.8705 1.717751
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370.8347 1.052773
371.3168 1.418350
371.7990 2.531113
372.2811 3.376976
372.7632 3.346611
373.2453 2.914146
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374.2095 2.549751
374.6917 2.574043
375.1738 2.691521
375.6559 2.868011
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383.3698 2.054443
383.8519 2.224800
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385.7803 2.302818
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420.4927 4.291969
420.9748 4.668312
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422.9033 6.450668
423.3854 6.541748
423.8675 6.386475
424.3496 6.181206
424.8318 6.084213
425.3139 6.097733
425.7960 6.147163
426.2781 6.146881
426.7602 6.074287
427.2423 5.916283
427.7245 5.592323
428.2066 5.449959
428.6887 5.685036
429.1708 6.076225
429.6529 6.423248
430.1350 6.673035
430.6172 6.801132
431.0992 6.741234
431.5814 6.486023
432.0635 6.439308
432.5456 6.699478
433.0277 7.016266
433.5098 7.410423
433.9919 7.788422
434.4741 8.013161
434.9562 8.021332
435.4383 7.852509
435.9204 7.534187
436.4025 6.706863
436.8846 6.417854
437.3668 7.130363
437.8489 7.908905
438.3310 8.108452
438.8131 7.791862
439.2952 7.491623
439.7773 7.701813
440.2595 8.326889
440.7416 8.411461
441.2237 7.288612
441.7058 6.625801
442.1879 7.285126
442.6700 8.399277
443.1522 8.965805
443.6343 8.640419
444.1164 7.909401
444.5985 7.354919
445.0806 6.989281
445.5627 6.674728
446.0449 6.318680
446.5270 6.088959
447.0091 6.200150
447.4912 6.548134
447.9733 6.745331
448.4554 6.440727
448.9376 5.922531
449.4197 5.843292
449.9018 6.269226
450.3839 6.448074
450.8660 5.831047
451.3481 4.841133
451.8303 4.219582
452.3124 4.041183
452.7945 4.050262
453.2766 4.140160
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1 elmendili 2018-07-16T11:33:37+0300 'journal reference changed'
