#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-07-16 11:31:00 +0300 (Mon, 16 Jul 2018) $
#$Revision: 1264 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000561.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_1000561
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        R150020
_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            1000561.rod
_rod_data_source.block           1000561
_rod_database.code               1000561
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
90.59570 0.0000000E+00
91.07782 0.7719990
91.55994 1.630550
92.04205 2.367470
92.52417 3.097572
93.00629 3.782860
93.48840 4.137634
93.97052 3.957390
94.45264 3.328152
94.93475 3.400284
95.41687 3.146896
95.89898 2.341171
96.38110 1.446861
96.86321 0.8297310
97.34533 0.6776350
97.82745 0.8647160
98.30956 1.013100
98.79168 1.040543
99.27380 0.9365810
99.75591 0.7199100
100.2380 0.4963840
100.7201 0.3093150
101.2023 0.1486550
101.6844 0.1575510
102.1665 0.1925580
102.6486 0.3557050
103.1307 0.5231090
103.6128 0.5254940
104.0950 0.2814140
104.5771 2.0287000E-02
105.0592 0.1411250
105.5413 9.2341997E-02
106.0234 0.6335830
106.5055 1.194130
106.9877 1.734917
107.4698 2.081356
107.9519 2.317631
108.4340 2.395443
108.9161 1.999809
109.3982 1.424023
109.8804 0.9006040
110.3625 0.6952550
110.8446 0.9352650
111.3267 0.9982910
111.8088 0.6582150
112.2909 0.3267140
112.7731 0.2070730
113.2552 0.3343700
113.7373 0.5848690
114.2194 0.7731930
114.7015 0.8680690
115.1836 0.9435200
115.6658 0.9009400
116.1479 0.8827210
116.6300 1.124737
117.1121 1.731503
117.5942 2.428860
118.0763 2.499962
118.5584 1.747456
119.0406 0.9611660
119.5227 0.2823050
120.0048 0.2675460
120.4869 0.6429960
120.9690 0.8288520
121.4511 0.7855380
121.9333 0.4957180
122.4154 0.1865600
122.8975 0.8636490
123.3796 1.182766
123.8617 1.118881
124.3438 0.9145980
124.8260 0.4301050
125.3081 4.7619000E-02
125.7902 0.1983170
126.2723 0.1862160
126.7544 0.8410720
127.2365 1.134825
127.7187 0.7777790
128.2008 0.5390610
128.6829 0.7061230
129.1650 1.099550
129.6471 1.486357
130.1292 1.722847
130.6114 1.819059
131.0935 1.901966
131.5756 1.915071
132.0577 1.973610
132.5398 2.075706
133.0219 2.229650
133.5041 2.476065
133.9862 2.856972
134.4683 3.392357
134.9504 3.984333
135.4325 4.587032
135.9146 5.259901
136.3968 6.063557
136.8789 6.992283
137.3610 8.003296
137.8431 9.018761
138.3252 9.976719
138.8073 10.78633
139.2895 11.36272
139.7716 11.83995
140.2537 12.38947
140.7358 12.82495
141.2179 13.19195
141.7000 13.41269
142.1821 13.51863
142.6643 13.78794
143.1464 14.57645
143.6285 15.72706
144.1106 16.63330
144.5927 16.98393
145.0748 17.24251
145.5570 17.82698
146.0391 18.76945
146.5212 19.82348
147.0033 20.87933
147.4854 21.94869
147.9675 22.97305
148.4497 23.79844
148.9318 24.73288
149.4139 26.02481
149.8960 27.71957
150.3781 29.69581
150.8602 31.75356
151.3424 33.85525
151.8245 36.18618
152.3066 38.59896
152.7887 41.28058
153.2708 44.47411
153.7529 48.24172
154.2351 52.38330
154.7172 56.42109
155.1993 61.33877
155.6814 64.79913
156.1635 66.75548
156.6456 67.22198
157.1278 66.05455
157.6099 63.13705
158.0920 58.75515
158.5741 54.02304
159.0562 48.59411
159.5383 43.25004
160.0205 38.03540
160.5026 33.04569
160.9847 28.46382
161.4668 24.40778
161.9489 20.90166
162.4310 17.91170
162.9131 15.40557
163.3953 13.38347
163.8774 12.04987
164.3595 11.34536
164.8416 10.67630
165.3237 9.597404
165.8058 8.319090
166.2880 7.329147
166.7701 6.802546
167.2522 6.478130
167.7343 6.090698
168.2164 5.638592
168.6985 5.155916
169.1807 4.563574
169.6628 3.965605
170.1449 3.506178
170.6270 3.270233
171.1091 3.204634
171.5912 3.210192
172.0734 3.416416
172.5555 3.427778
173.0376 2.937178
173.5197 2.216749
174.0018 1.657742
174.4839 1.519073
174.9661 1.732910
175.4482 1.878746
175.9303 1.950045
176.4124 1.936817
176.8945 1.812080
177.3766 1.598406
177.8588 1.315353
178.3409 0.9832020
178.8230 0.6124320
179.3051 0.3428460
179.7872 0.2445430
180.2693 0.2292420
180.7515 0.2525840
181.2336 0.2968390
181.7157 0.3640840
182.1978 0.4725650
182.6799 0.6390710
183.1620 0.5892140
183.6441 0.1185230
184.1263 0.2942490
184.6084 0.4014740
185.0905 0.2341880
185.5726 1.1955000E-02
186.0547 6.6464998E-02
186.5368 2.0067001E-02
187.0190 3.7121002E-02
187.5011 0.1763290
187.9832 0.3428990
188.4653 0.1528890
188.9474 0.4059940
189.4296 0.9167080
189.9117 0.9157870
190.3938 0.4135570
190.8759 1.7328000E-02
191.3580 0.2147430
191.8401 0.3082390
192.3223 0.2269900
192.8044 7.3045999E-02
193.2865 0.3387150
193.7686 0.2228580
194.2507 0.1558060
194.7328 0.4406340
195.2150 0.4770620
195.6971 0.3542500
196.1792 0.2356490
196.6613 0.1196770
197.1434 4.1196998E-02
197.6255 1.2380000E-03
198.1077 7.4669998E-03
198.5898 9.8072000E-02
199.0719 0.4375480
199.5540 0.9153540
200.0361 1.005632
200.5182 0.3836980
201.0004 0.1955260
201.4825 0.2826500
201.9646 8.8940002E-03
202.4467 0.2976210
202.9288 0.4233000
203.4109 0.3768230
203.8930 0.2893070
204.3752 4.1951999E-02
204.8573 0.1150470
205.3394 2.1986000E-02
205.8215 0.2445160
206.3036 0.4986230
206.7857 0.5868870
207.2679 0.5016590
207.7500 0.4004650
208.2321 0.2280480
208.7142 9.0016998E-02
209.1963 2.8689999E-02
209.6784 3.3991002E-02
210.1606 6.4448997E-02
210.6427 7.0253000E-02
211.1248 3.0478001E-02
211.6069 0.1603110
212.0890 0.7358300
212.5711 1.209761
213.0533 1.280525
213.5354 1.025751
214.0175 0.7628100
214.4996 0.8085650
214.9817 1.252913
215.4638 1.347473
215.9460 0.7586310
216.4281 0.1967140
216.9102 4.4077002E-02
217.3923 0.2742480
217.8744 0.6100790
218.3565 0.8088610
218.8387 0.8516350
219.3208 0.8830720
219.8029 0.9658640
220.2850 0.9899860
220.7671 0.8084580
221.2492 0.4532050
221.7314 0.1744940
222.2135 0.2135220
222.6956 0.5977040
223.1777 0.8692050
223.6598 0.9570080
224.1419 0.9868200
224.6240 1.071522
225.1062 1.212191
225.5883 1.292297
226.0704 1.172157
226.5525 0.8865280
227.0346 0.7247710
227.5167 0.7404040
227.9989 0.8652000
228.4810 1.118641
228.9631 1.510136
229.4452 1.762714
229.9273 1.486794
230.4094 0.9143010
230.8916 0.6949690
231.3737 1.212706
231.8558 1.977217
232.3379 2.439848
232.8200 2.571491
233.3021 2.615723
233.7843 2.689459
234.2664 2.780272
234.7485 2.869865
235.2306 2.947206
235.7127 3.026291
236.1948 3.138809
236.6770 3.300339
237.1591 3.431919
237.6412 3.405949
238.1233 3.355692
238.6054 3.453995
239.0875 3.808729
239.5697 4.255619
240.0518 4.506308
240.5339 4.487856
241.0160 4.510950
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241.9802 4.941874
242.4624 5.254354
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243.4266 6.071161
243.9087 6.588520
244.3908 7.245150
244.8729 7.779436
245.3550 8.031183
245.8372 8.188480
246.3193 8.421293
246.8014 8.765495
247.2835 9.122564
247.7656 9.329395
248.2477 9.267204
248.7299 9.449594
249.2120 10.03650
249.6941 10.79290
250.1762 11.60358
250.6583 12.42042
251.1404 13.14537
251.6226 13.61383
252.1047 13.61310
252.5868 13.84789
253.0689 14.38669
253.5510 15.13306
254.0331 16.10942
254.5153 17.28813
254.9974 18.49814
255.4795 19.41370
255.9616 19.63332
256.4437 20.46271
256.9258 22.36306
257.4080 24.44306
257.8901 25.99817
258.3722 26.96145
258.8543 27.90437
259.3364 29.65050
259.8185 32.60468
260.3007 35.42803
260.7828 38.07642
261.2649 40.68042
261.7470 43.18808
262.2291 45.67358
262.7112 48.36359
263.1934 51.58281
263.6755 55.52480
264.1576 59.30531
264.6397 62.74181
265.1218 66.18693
265.6039 69.98071
266.0861 74.02158
266.5682 77.84704
267.0503 80.97335
267.5324 83.26673
268.0145 85.61706
268.4966 88.02453
268.9788 90.47330
269.4609 93.06072
269.9430 95.70795
270.4251 98.13351
270.9072 100.0547
271.3893 101.4185
271.8715 103.3525
272.3536 106.3007
272.8357 109.2637
273.3178 111.7866
273.7999 113.9541
274.2820 116.0386
274.7642 118.1905
275.2463 120.4318
275.7284 122.9942
276.2105 126.1101
276.6926 129.2176
277.1747 132.0540
277.6568 134.7514
278.1389 137.5956
278.6211 140.7483
279.1032 144.1520
279.5853 147.6141
280.0674 151.2850
280.5495 154.8460
281.0316 158.8656
281.5138 162.6566
281.9959 165.0569
282.4780 165.5920
282.9601 164.3773
283.4422 161.5136
283.9243 156.9425
284.4065 151.2339
284.8886 144.2764
285.3707 136.3114
285.8528 127.4363
286.3349 117.5629
286.8170 107.3955
287.2992 98.02985
287.7813 89.59694
288.2634 81.52920
288.7455 73.59776
289.2276 66.10410
289.7097 59.45414
290.1919 53.73703
290.6740 48.82756
291.1561 44.68300
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376.9728 1.003193
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380.3476 1.029862
380.8297 1.002399
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388.0615 0.1242520
388.5436 2.3102000E-02
389.0257 9.5710000E-03
389.5078 0.1312100
389.9900 0.2901290
390.4721 0.4073760
390.9542 0.4865470
391.4363 0.5483180
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392.8827 0.6707670
393.3648 0.7026460
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1 elmendili 2018-07-16T11:30:58+0300 'journal reference changed'
