#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:55 +0300 (Thu, 24 May 2018) $
#$Revision: 896 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000374.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_1000374
loop_
_publ_author_name
'Novak, G. A.'
'Gibbs, G. V.'
_publ_section_title
;
 The crystal chemistry of the silicate garnets sample An
;
_journal_name_full               'American Mineralogist'
_journal_page_first              791
_journal_page_last               823
_journal_volume                  56
_journal_year                    1971
_chemical_compound_source        R060326
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.058
_cell_length_b                   12.058
_cell_length_c                   12.058
_cell_volume                     1753.177
_exptl_crystal_density_diffrn    3.851
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9000239
_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            R060326.rod
_rod_data_source.block           3500000
_rod_database.code               1000374
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 9000239 COD http://www.crystallography.net/cod/9000239.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
110.5265 0.0000000E+00
111.0086 0.3619080
111.4907 0.2139130
111.9728 0.1433560
112.4549 0.3260960
112.9371 0.3412320
113.4192 0.1474610
113.9013 6.2180001E-02
114.3834 1.5167000E-02
114.8655 0.2523190
115.3476 0.4507600
115.8298 0.6282500
116.3119 1.214706
116.7940 1.511490
117.2761 1.125977
117.7582 0.4599300
118.2403 0.1952510
118.7225 0.2318730
119.2046 0.4983980
119.6867 0.9293820
120.1688 1.898392
120.6509 2.669464
121.1330 2.834976
121.6152 2.513153
122.0973 2.305405
122.5794 2.394714
123.0615 2.647217
123.5436 2.833206
124.0257 2.999374
124.5079 2.958099
124.9900 2.354538
125.4721 0.9814450
125.9542 0.1818240
126.4363 6.1416999E-02
126.9184 1.171539
127.4006 2.054077
127.8827 2.302353
128.3648 2.077927
128.8469 1.818893
129.3290 1.554916
129.8111 1.304825
130.2932 1.085144
130.7754 0.9098360
131.2575 0.7686310
131.7396 0.6608890
132.2217 0.5982060
132.7038 0.4722440
133.1859 6.5186001E-02
133.6681 0.2442470
134.1502 0.2125400
134.6323 0.1461640
135.1144 0.5884090
135.5965 0.7704320
136.0786 0.4719240
136.5608 0.3592680
137.0429 0.5358430
137.5250 0.7978060
138.0071 0.9691310
138.4892 1.002518
138.9713 1.006409
139.4535 1.216446
139.9356 2.034775
140.4177 2.502838
140.8998 2.306656
141.3819 1.789124
141.8640 1.371628
142.3462 1.212494
142.8283 1.326508
143.3104 1.814972
143.7925 2.929825
144.2746 3.904465
144.7567 4.291046
145.2388 4.221146
145.7210 4.301514
146.2031 5.033920
146.6852 5.959854
147.1673 6.118912
147.6494 4.945755
148.1315 3.751312
148.6137 3.918961
149.0958 5.649719
149.5779 7.477509
150.0600 8.511765
150.5421 9.296844
151.0242 10.49367
151.5064 12.34122
151.9885 14.34636
152.4706 15.53253
152.9527 15.43771
153.4348 15.81389
153.9169 16.54547
154.3991 17.52130
154.8812 18.96992
155.3633 20.35716
155.8454 21.73489
156.3275 22.55351
156.8096 21.92403
157.2918 21.45378
157.7739 21.60158
158.2560 22.15822
158.7381 22.70135
159.2202 22.87671
159.7023 22.65215
160.1845 22.75809
160.6666 23.32213
161.1487 24.06071
161.6308 25.04619
162.1129 26.16348
162.5950 27.09634
163.0772 27.51573
163.5593 27.33029
164.0414 27.46652
164.5235 28.18109
165.0056 28.99611
165.4877 29.47423
165.9698 29.60249
166.4520 29.87364
166.9341 30.89343
167.4162 32.66939
167.8983 34.24165
168.3804 35.26242
168.8625 36.17937
169.3447 37.85683
169.8268 40.57397
170.3089 43.38371
170.7910 45.19644
171.2731 46.25156
171.7552 47.33432
172.2374 49.32831
172.7195 51.62115
173.2016 52.40662
173.6837 51.07355
174.1658 48.69127
174.6479 46.19833
175.1301 43.50949
175.6122 40.25481
176.0943 35.68105
176.5764 29.87849
177.0585 25.22882
177.5406 22.50288
178.0228 20.50938
178.5049 18.96159
178.9870 17.70448
179.4691 16.42833
179.9512 14.75446
180.4333 12.54158
180.9155 10.58693
181.3976 8.856003
181.8797 7.401428
182.3618 6.277359
182.8439 5.477081
183.3260 4.972046
183.8082 4.768906
184.2903 5.130722
184.7724 5.212479
185.2545 4.925735
185.7366 4.478470
186.2187 3.967087
186.7009 3.425461
187.1830 2.861191
187.6651 2.276947
188.1472 1.576492
188.6293 1.086227
189.1114 1.008316
189.5936 1.022552
190.0757 0.8265840
190.5578 0.3428340
191.0399 0.2606050
191.5220 0.7303010
192.0041 1.037735
192.4863 1.197418
192.9684 1.181366
193.4505 1.043365
193.9326 0.7704470
194.4147 0.3069610
194.8968 9.8709002E-02
195.3790 0.2225950
195.8611 1.434296
196.3432 2.041931
196.8253 0.8901370
197.3074 1.165298
197.7895 2.103821
198.2717 0.9882970
198.7538 0.7301790
199.2359 1.089722
199.7180 8.5814998E-02
200.2001 0.9156340
200.6822 1.052185
201.1644 0.5204620
201.6465 0.2798770
202.1286 0.6707760
202.6107 1.287003
203.0928 1.769394
203.5749 2.115524
204.0571 2.377304
204.5392 2.608551
205.0213 2.809402
205.5034 2.865753
205.9855 2.587494
206.4676 2.296509
206.9497 2.132339
207.4319 2.115585
207.9140 2.290146
208.3961 2.738617
208.8782 3.497482
209.3603 4.296494
209.8424 5.316010
210.3246 6.216827
210.8067 6.842926
211.2888 7.167694
211.7709 7.237640
212.2530 6.894180
212.7351 5.661316
213.2173 5.574661
213.6994 7.501297
214.1815 9.829422
214.6636 11.87146
215.1457 13.40097
215.6278 14.52225
216.1100 15.46132
216.5921 15.97710
217.0742 17.00533
217.5563 18.91689
218.0384 20.88879
218.5205 22.55675
219.0027 23.81221
219.4848 24.62222
219.9669 24.83505
220.4490 23.94289
220.9311 23.82333
221.4132 24.78499
221.8954 26.11906
222.3775 27.48538
222.8596 28.81436
223.3417 30.05379
223.8238 30.98531
224.3059 31.27693
224.7881 31.92178
225.2702 33.27838
225.7523 34.81079
226.2344 35.89911
226.7165 36.44847
227.1986 37.08890
227.6807 38.68567
228.1629 41.50328
228.6450 43.95584
229.1271 45.87656
229.6092 47.41956
230.0913 48.52637
230.5734 49.16452
231.0556 49.88501
231.5377 51.21693
232.0198 53.14616
232.5019 55.79897
232.9840 59.72755
233.4661 64.16696
233.9483 68.29141
234.4304 72.01811
234.9125 75.29175
235.3946 78.69287
235.8767 81.89259
236.3588 82.63911
236.8410 79.53445
237.3231 73.91776
237.8052 67.49658
238.2873 60.17982
238.7694 52.68694
239.2515 44.98915
239.7337 37.45549
240.2158 31.08255
240.6979 26.61647
241.1800 23.42889
241.6621 20.42903
242.1442 17.57581
242.6264 14.97319
243.1085 12.55937
243.5906 10.42206
244.0727 8.799133
244.5548 7.922485
245.0369 7.566483
245.5191 7.268280
246.0012 7.013016
246.4833 6.841415
246.9654 7.036545
247.4475 7.274551
247.9296 7.040634
248.4117 5.934357
248.8939 4.369308
249.3760 3.293976
249.8581 2.824524
250.3402 2.689743
250.8223 3.102066
251.3044 3.656540
251.7866 3.846664
252.2687 3.400284
252.7508 2.646393
253.2329 2.332291
253.7150 2.691162
254.1971 2.889679
254.6793 2.511124
255.1614 2.166946
255.6435 2.491745
256.1256 3.772217
256.6077 5.304657
257.0898 5.710861
257.5720 4.294907
258.0541 3.332825
258.5362 3.004883
259.0183 3.201752
259.5004 4.083099
259.9825 5.693329
260.4647 7.497223
260.9468 8.328445
261.4289 7.121628
261.9110 7.067062
262.3931 9.095184
262.8752 11.71159
263.3574 13.97456
263.8395 15.56621
264.3216 16.45290
264.8037 16.52228
265.2858 15.33723
265.7679 14.16286
266.2501 13.23470
266.7322 12.18178
267.2143 10.66928
267.6964 8.686295
268.1785 6.531372
268.6606 4.545090
269.1428 2.527100
269.6249 1.312424
270.1070 1.591293
270.5891 1.970276
271.0712 1.367218
271.5533 0.1640630
272.0355 1.584335
272.5176 1.629471
272.9997 0.2634280
273.4818 1.073273
273.9639 1.2878000E-02
274.4460 1.247040
274.9282 1.681961
275.4103 1.361969
275.8924 0.8818820
276.3745 0.7683410
276.8566 1.055176
277.3387 1.402115
277.8208 2.140228
278.3029 2.613724
278.7851 2.212021
279.2672 1.236206
279.7493 0.6332700
280.2314 1.196381
280.7135 2.860229
281.1956 3.610794
281.6778 2.872803
282.1599 2.031342
282.6420 1.565308
283.1241 1.358765
283.6062 1.060486
284.0883 0.4332580
284.5705 0.4197240
285.0526 0.8514710
285.5347 0.2259520
286.0168 2.0888999E-02
286.4989 0.6205750
286.9810 1.840546
287.4632 3.131241
287.9453 4.265991
288.4274 5.296097
288.9095 6.391220
289.3916 7.723648
289.8737 8.858429
290.3559 9.394196
290.8380 9.784515
291.3201 10.78624
291.8022 12.69609
292.2843 14.87491
292.7664 16.12473
293.2486 15.90051
293.7307 16.04550
294.2128 16.96294
294.6949 18.23137
295.1770 19.49190
295.6591 20.66086
296.1413 21.61829
296.6234 22.13966
297.1055 22.03700
297.5876 22.29620
298.0697 23.35493
298.5518 24.53706
299.0340 25.19786
299.5161 25.28195
299.9982 25.24869
300.4803 25.46330
300.9624 25.95973
301.4445 26.80812
301.9267 28.15457
302.4088 29.71448
302.8909 31.40697
303.3730 33.18532
303.8551 34.88120
304.3372 36.31236
304.8194 37.55469
305.3015 39.24350
305.7836 41.70081
306.2657 44.24052
306.7478 46.46817
307.2299 48.50072
307.7121 50.70438
308.1942 53.26802
308.6763 56.13651
309.1584 59.12656
309.6405 62.66144
310.1227 65.68620
310.6048 67.67587
311.0869 68.94086
311.5690 70.12744
312.0511 71.54636
312.5332 72.73605
313.0154 72.76126
313.4975 71.74037
313.9796 69.59299
314.4617 65.43723
314.9438 60.46521
315.4259 56.16214
315.9081 52.90532
316.3902 50.19345
316.8723 47.41412
317.3544 44.50952
317.8365 41.92856
318.3186 39.64975
318.8007 37.74699
319.2828 36.23157
319.7650 35.11383
320.2471 34.55351
320.7292 34.74628
321.2113 35.74484
321.6934 36.93088
322.1755 38.24599
322.6577 39.79385
323.1398 41.92270
323.6219 44.44101
324.1040 46.53772
324.5861 47.59209
325.0682 47.85823
325.5504 48.63206
326.0325 50.52251
326.5146 52.16530
326.9967 52.92371
327.4788 53.09735
327.9609 53.19331
328.4431 53.33382
328.9252 53.77029
329.4073 55.19461
329.8894 57.87267
330.3715 60.66496
330.8536 63.32681
331.3358 66.01645
331.8179 68.91315
332.3000 72.01752
332.7821 75.58521
333.2642 80.08705
333.7463 85.87442
334.2285 91.36758
334.7106 96.12048
335.1927 100.7678
335.6748 106.1284
336.1569 112.1217
336.6390 117.6668
337.1212 121.6037
337.6033 123.8341
338.0854 126.9480
338.5675 131.2555
339.0496 135.9891
339.5317 140.6586
340.0139 145.4886
340.4960 151.1408
340.9781 158.0783
341.4602 166.0576
341.9423 173.8276
342.4244 180.8198
342.9066 188.2591
343.3887 196.4477
343.8708 205.2319
344.3529 214.1855
344.8350 223.0903
345.3171 232.5089
345.7993 243.4923
346.2814 256.8311
346.7635 270.6454
347.2456 284.4209
347.7277 298.8779
348.2098 315.0305
348.6920 332.7661
349.1741 351.0281
349.6562 368.4315
350.1383 384.9788
350.6204 400.3935
351.1025 415.9487
351.5847 429.4330
352.0668 439.9851
352.5489 447.4426
353.0310 451.6790
353.5131 452.4563
353.9952 449.9484
354.4774 445.6801
354.9595 438.4906
355.4416 430.8776
355.9237 422.6440
356.4058 414.4480
356.8879 406.9106
357.3701 400.3229
357.8522 394.8465
358.3343 390.7776
358.8164 388.0034
359.2985 387.1793
359.7806 388.4500
360.2627 391.3820
360.7448 395.7124
361.2270 401.3755
361.7091 408.2969
362.1912 416.3416
362.6733 425.3365
363.1554 436.2622
363.6375 449.5088
364.1197 464.2650
364.6018 481.0935
365.0839 499.2341
365.5660 516.8835
366.0481 532.8068
366.5302 547.1395
367.0124 561.0427
367.4945 576.6393
367.9766 588.7095
368.4587 597.3249
368.9408 601.6324
369.4229 600.7435
369.9051 594.3064
370.3872 582.4265
370.8693 564.7820
371.3514 540.2201
371.8335 512.5790
372.3156 480.2133
372.7978 446.7238
373.2799 413.2347
373.7620 380.3507
374.2441 348.4885
374.7262 317.8502
375.2083 288.4125
375.6905 262.0572
376.1726 239.5982
376.6547 219.6482
377.1368 201.7889
377.6189 185.7578
378.1010 171.2679
378.5832 158.0109
379.0653 146.1806
379.5474 136.4628
380.0295 129.5239
380.5116 122.9829
380.9937 115.3589
381.4759 107.9531
381.9580 102.2839
382.4401 98.88370
382.9222 96.19931
383.4043 92.58411
383.8864 88.04076
384.3686 83.66214
384.8507 79.67752
385.3328 75.95067
385.8149 72.50027
386.2970 69.27776
386.7791 65.68860
387.2613 61.19339
387.7434 56.15688
388.2255 51.44279
388.7076 47.20799
389.1897 42.99109
389.6718 37.97350
390.1540 32.76132
390.6361 28.67685
391.1182 26.33438
391.6003 24.84355
392.0824 23.76671
392.5645 23.01212
393.0467 21.68893
393.5288 19.07027
394.0109 16.04753
394.4930 14.36215
394.9751 14.36649
395.4572 14.18167
395.9394 12.77545
396.4215 10.78827
396.9036 9.365295
397.3857 8.765320
397.8678 8.363815
398.3499 7.435226
398.8321 5.938431
399.3142 4.846710
399.7963 4.514603
400.2784 4.329834
400.7605 3.744720
401.2426 2.873245
401.7247 2.350327
402.2068 2.663269
402.6890 3.510513
403.1711 3.513565
403.6532 1.623627
404.1353 0.3294220
404.6174 0.6515960
405.0995 1.576721
405.5817 1.759033
406.0638 0.8276210
406.5459 0.4785920
407.0280 1.123734
407.5101 0.8838350
407.9922 0.6308900
408.4744 0.2374570
408.9565 6.0104001E-02
409.4386 0.1343540
409.9207 2.6550000E-03
410.4028 0.2964320
410.8849 0.7352290
411.3671 1.281204
411.8492 1.659027
412.3313 1.823349
412.8134 1.854446
413.2955 1.742249
413.7776 1.516907
414.2598 1.142212
414.7419 0.6230930
415.2240 0.1372530
415.7061 1.9791000E-02
416.1882 0.2494960
416.6703 0.5091250
417.1525 0.7172550
417.6346 0.9310760
418.1167 1.307312
418.5988 1.736282
419.0809 1.859802
419.5630 1.239227
420.0452 0.1522830
420.5273 0.1242370
421.0094 0.8605650
421.4915 1.705582
421.9736 1.800888
422.4557 1.512405
422.9379 1.174026
423.4200 0.8552550
423.9021 0.6098180
424.3842 0.6792140
424.8663 1.030670
425.3484 0.7325900
425.8306 0.9939120
426.3127 2.662079
426.7948 2.779541
427.2769 1.564224
427.7590 0.4184270
428.2411 0.1363980
428.7233 0.1878360
429.2054 0.4456480
429.6875 1.879196
430.1696 2.840836
430.6517 2.330612
431.1339 0.8076170
431.6160 0.1956330
432.0981 0.4574430
432.5802 0.5475920
433.0623 0.7576450
433.5444 0.9986880
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