#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:45 +0300 (Thu, 24 May 2018) $
#$Revision: 908 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000385.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_1000385
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        R100049
_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            R100049.rod
_rod_data_source.block           3500000
_rod_database.code               1000385
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
91.53320 0.0000000E+00
92.01532 4.275299
92.49744 6.847031
92.97955 8.377319
93.46167 8.163712
93.94379 7.350220
94.42590 7.034119
94.90802 6.953629
95.39014 6.392883
95.87225 5.295685
96.35437 4.247818
96.83649 3.432816
97.31860 2.977928
97.80072 2.751472
98.28284 2.624878
98.76495 2.517937
99.24707 2.267776
99.72919 1.591446
100.2113 1.181046
100.6934 1.150948
101.1755 1.524208
101.6577 1.986740
102.1398 2.054253
102.6219 1.477463
103.1040 1.257637
103.5861 1.447891
104.0682 1.877663
104.5504 2.783638
105.0325 3.925224
105.5146 5.014946
105.9967 5.935623
106.4788 6.199997
106.9609 5.992096
107.4431 5.312637
107.9252 4.723610
108.4073 4.528999
108.8894 4.620613
109.3715 4.675690
109.8536 4.366913
110.3358 3.958397
110.8179 3.470726
111.3000 2.999680
111.7821 3.444504
112.2642 4.091141
112.7463 4.977638
113.2285 5.778091
113.7106 6.162865
114.1927 6.046356
114.6748 5.577736
115.1569 5.151955
115.6390 5.036545
116.1212 4.933151
116.6033 4.231964
117.0854 3.051010
117.5675 2.099762
118.0496 1.736710
118.5317 1.789185
119.0139 1.588120
119.4960 0.9233930
119.9781 0.4077450
120.4602 7.5026996E-02
120.9423 1.8250000E-02
121.4244 8.1069998E-02
121.9066 0.3633040
122.3887 0.8604660
122.8708 1.052055
123.3529 0.7624890
123.8350 0.4045330
124.3171 0.1003720
124.7993 0.1147840
125.2814 0.1891330
125.7635 2.8175000E-02
126.2456 0.4445570
126.7277 0.7206570
127.2098 0.7613680
127.6920 0.6148300
128.1741 0.2281800
128.6562 0.4706500
129.1383 1.115471
129.6204 1.025551
130.1025 0.2843320
130.5847 0.1427460
131.0668 0.4625700
131.5489 1.763084
132.0310 2.557846
132.5131 2.386429
132.9952 1.824753
133.4774 1.351959
133.9595 0.9827800
134.4416 0.7202070
134.9237 0.5955660
135.4058 0.6262740
135.8879 0.6586910
136.3701 0.7426830
136.8522 0.7672270
137.3343 0.5920940
137.8164 0.1913680
138.2985 0.2321620
138.7806 0.3274610
139.2628 6.8274997E-02
139.7449 0.5331650
140.2270 1.272835
140.7091 1.940681
141.1912 2.165604
141.6733 1.780777
142.1555 0.9753650
142.6376 0.4098820
143.1197 0.2191930
143.6018 0.1411440
144.0839 0.3256610
144.5660 0.5876390
145.0482 0.5695110
145.5303 1.4110000E-03
146.0124 0.9752040
146.4945 1.219620
146.9766 4.0801998E-02
147.4587 1.104340
147.9409 1.149193
148.4230 0.3158110
148.9051 0.6950230
149.3872 1.822922
149.8693 2.708145
150.3514 3.471062
150.8336 4.062508
151.3157 4.559860
151.7978 4.904083
152.2799 5.037964
152.7620 5.449379
153.2441 6.750267
153.7263 8.580833
154.2084 10.42198
154.6905 12.03324
155.1726 13.53847
155.6547 15.29987
156.1368 17.58522
156.6190 19.60580
157.1011 20.70539
157.5832 21.26685
158.0653 22.06278
158.5474 23.70107
159.0295 26.10545
159.5117 28.22135
159.9938 29.53709
160.4759 31.08428
160.9580 33.27084
161.4401 36.01001
161.9222 38.98593
162.4044 41.86877
162.8865 44.57820
163.3686 47.80219
163.8507 51.82225
164.3328 56.08010
164.8149 60.52249
165.2971 65.05848
165.7792 69.35951
166.2613 73.04663
166.7434 75.76946
167.2255 78.86564
167.7076 82.68934
168.1898 86.59333
168.6719 89.92445
169.1540 92.63064
169.6361 95.35566
170.1182 99.02304
170.6003 103.9565
171.0825 109.2095
171.5646 115.0214
172.0467 121.0055
172.5288 126.7008
173.0109 131.9613
173.4930 137.0182
173.9752 142.5246
174.4573 148.7703
174.9394 153.8861
175.4215 157.6200
175.9036 159.8643
176.3857 160.3439
176.8679 158.9453
177.3500 155.5629
177.8321 150.3068
178.3142 143.1903
178.7963 134.9821
179.2784 125.6049
179.7606 115.1920
180.2427 105.3827
180.7248 96.77014
181.2069 88.78101
181.6890 80.94814
182.1711 73.20479
182.6533 65.70248
183.1354 58.48396
183.6175 51.51999
184.0996 45.22546
184.5817 39.89595
185.0638 35.14345
185.5460 30.95909
186.0281 27.30661
186.5102 23.86207
186.9923 20.08776
187.4744 15.61726
187.9565 12.06252
188.4387 9.793991
188.9208 8.161057
189.4029 6.891724
189.8850 5.904091
190.3671 5.055244
190.8492 3.910843
191.3314 1.888969
191.8135 0.5555110
192.2956 0.3247600
192.7777 0.5586470
193.2598 0.7092590
193.7419 0.5635220
194.2241 0.2616730
194.7062 0.1510850
195.1883 0.2475360
195.6704 0.5874020
196.1525 1.154243
196.6346 1.949913
197.1168 3.115891
197.5989 4.731133
198.0810 6.475571
198.5631 7.428680
199.0452 6.870728
199.5273 6.624039
200.0095 7.060593
200.4916 7.968315
200.9737 9.045189
201.4558 10.18406
201.9379 11.37727
202.4200 12.64182
202.9022 13.90109
203.3843 15.33857
203.8664 17.05325
204.3485 18.99282
204.8306 20.99067
205.3127 22.93048
205.7949 24.94202
206.2770 27.22080
206.7591 29.78960
207.2412 32.50877
207.7233 35.37125
208.2054 38.36023
208.6876 41.27908
209.1697 43.96440
209.6518 46.61047
210.1339 49.43631
210.6160 52.41513
211.0981 55.63498
211.5803 59.36363
212.0624 63.67123
212.5445 67.74809
213.0266 70.70432
213.5087 73.58521
213.9908 77.53007
214.4730 82.83488
214.9551 88.41520
215.4372 92.84290
215.9193 95.87586
216.4014 99.25097
216.8836 103.5036
217.3657 108.2550
217.8478 113.2760
218.3299 118.4886
218.8120 124.1546
219.2941 130.5353
219.7763 137.5805
220.2584 145.4865
220.7405 154.6222
221.2226 164.3545
221.7047 174.2813
222.1868 184.2925
222.6690 194.5863
223.1511 205.4906
223.6332 217.2561
224.1153 229.2821
224.5974 241.7754
225.0795 254.1904
225.5617 266.1833
226.0438 277.6646
226.5259 288.9085
227.0080 300.3675
227.4901 311.8327
227.9722 323.8907
228.4544 335.7364
228.9365 348.5282
229.4186 363.5188
229.9007 380.8706
230.3828 399.2673
230.8649 416.3321
231.3471 432.2959
231.8292 446.3272
232.3113 460.7401
232.7934 472.1267
233.2755 477.9571
233.7576 477.4456
234.2398 471.1729
234.7219 460.0471
235.2040 442.2019
235.6861 421.7485
236.1682 397.7622
236.6503 371.7487
237.1325 344.4863
237.6146 316.4065
238.0967 288.4967
238.5788 262.1511
239.0609 237.3444
239.5430 215.0443
240.0252 196.0078
240.5073 179.2819
240.9894 164.2178
241.4715 150.5834
241.9536 138.3508
242.4357 127.4987
242.9179 118.1939
243.4000 109.8680
243.8821 102.4630
244.3642 96.05750
244.8463 90.98104
245.3284 87.31980
245.8106 84.25829
246.2927 80.72807
246.7748 76.66659
247.2569 73.50690
247.7390 72.02440
248.2211 71.30273
248.7033 70.19218
249.1854 68.47180
249.6675 66.75848
250.1496 65.75242
250.6317 65.34507
251.1138 64.91624
251.5960 64.13909
252.0781 63.35426
252.5602 63.11951
253.0423 63.58002
253.5244 64.04874
254.0065 63.73354
254.4887 62.92085
254.9708 62.41029
255.4529 62.82686
255.9350 63.48671
256.4171 63.27115
256.8992 61.94600
257.3813 60.67657
257.8635 60.52178
258.3456 60.97858
258.8277 61.25055
259.3098 61.20757
259.7919 60.80209
260.2740 59.98154
260.7562 58.75762
261.2383 57.06621
261.7204 54.74973
262.2025 51.95444
262.6846 48.71393
263.1667 44.88608
263.6489 40.80204
264.1310 36.86125
264.6131 33.06226
265.0952 29.41054
265.5773 26.14050
266.0594 22.94661
266.5416 19.44321
267.0237 15.40715
267.5058 11.35242
267.9879 7.957069
268.4700 5.322166
268.9521 2.927734
269.4343 0.6068500
269.9164 1.541199
270.3985 3.376625
270.8806 4.855927
271.3627 6.138878
271.8448 7.434952
272.3270 8.785301
272.8091 9.964088
273.2912 10.92262
273.7733 11.67966
274.2554 12.19788
274.7375 12.47960
275.2197 12.62616
275.7018 12.77058
276.1839 12.93919
276.6660 12.93925
277.1481 12.75079
277.6302 12.36229
278.1124 11.72899
278.5945 10.85759
279.0766 9.826797
279.5587 8.687996
280.0408 7.427849
280.5229 6.144814
281.0051 5.056923
281.4872 3.745880
281.9693 1.896973
282.4514 0.3743970
282.9335 2.668335
283.4156 4.506020
283.8978 5.864265
284.3799 7.861977
284.8620 10.93477
285.3441 14.27558
285.8262 17.53671
286.3083 20.83905
286.7905 24.48434
287.2726 28.67070
287.7547 33.38000
288.2368 38.35503
288.7189 43.31874
289.2010 48.97395
289.6832 55.75898
290.1653 63.23875
290.6474 70.88821
291.1295 78.41753
291.6116 85.77513
292.0938 92.71862
292.5759 99.34597
293.0580 105.2819
293.5401 110.0041
294.0222 114.2521
294.5043 118.8363
294.9865 124.1316
295.4686 129.8317
295.9507 135.1826
296.4328 139.9393
296.9149 144.7589
297.3970 150.1864
297.8792 155.4450
298.3613 159.6643
298.8434 162.6434
299.3255 165.0941
299.8076 168.1299
300.2897 171.7489
300.7719 176.0461
301.2540 180.2634
301.7361 185.5668
302.2182 192.7374
302.7003 201.8909
303.1824 212.7199
303.6646 225.0535
304.1467 239.1093
304.6288 253.8191
305.1109 268.6275
305.5930 284.6065
306.0751 302.6151
306.5573 322.3688
307.0394 342.9064
307.5215 363.6644
308.0036 384.9315
308.4857 403.8004
308.9678 421.0797
309.4500 435.0295
309.9321 445.7839
310.4142 452.7556
310.8963 454.9013
311.3784 451.4018
311.8605 442.5491
312.3427 430.8283
312.8248 415.1208
313.3069 397.2881
313.7890 375.9984
314.2711 353.3228
314.7532 331.5355
315.2354 311.8705
315.7175 293.8929
316.1996 276.5240
316.6817 258.4681
317.1638 243.2684
317.6459 231.0415
318.1281 221.5590
318.6102 214.9234
319.0923 211.0911
319.5744 209.5113
320.0565 209.1384
320.5386 209.1932
321.0208 212.5316
321.5029 220.2892
321.9850 230.0060
322.4671 240.6712
322.9492 251.9344
323.4313 263.4913
323.9135 275.6022
324.3956 288.9559
324.8777 299.1540
325.3598 306.7014
325.8419 310.6432
326.3240 309.4688
326.8062 304.1371
327.2883 296.9115
327.7704 289.2418
328.2525 281.2043
328.7346 273.6508
329.2167 265.4699
329.6989 259.2308
330.1810 255.9478
330.6631 254.8581
331.1452 254.9061
331.6273 255.5552
332.1094 256.9004
332.5916 259.1870
333.0737 262.3690
333.5558 266.7620
334.0379 272.5490
334.5200 279.3002
335.0021 286.5412
335.4843 294.1534
335.9664 302.3567
336.4485 311.5710
336.9306 322.2258
337.4127 332.7301
337.8948 342.5352
338.3770 352.4815
338.8591 362.9038
339.3412 373.9612
339.8233 385.7000
340.3055 398.0710
340.7876 410.8300
341.2697 425.0923
341.7518 442.2628
342.2339 459.5719
342.7160 475.4630
343.1982 490.6212
343.6803 506.7598
344.1624 524.8190
344.6445 544.8247
345.1266 566.9122
345.6087 591.1055
346.0909 617.6379
346.5730 647.1784
347.0551 678.4855
347.5372 709.6109
348.0193 739.9071
348.5014 770.3364
348.9836 803.8546
349.4657 841.9656
349.9478 877.5819
350.4299 908.0502
350.9120 935.8817
351.3941 962.6448
351.8763 988.5945
352.3584 1012.907
352.8405 1035.024
353.3226 1055.072
353.8047 1071.162
354.2868 1080.705
354.7690 1088.360
355.2511 1096.780
355.7332 1105.954
356.2153 1115.197
356.6974 1123.401
357.1795 1131.213
357.6617 1141.050
358.1438 1152.670
358.6259 1167.027
359.1080 1183.845
359.5901 1203.321
360.0722 1226.192
360.5544 1251.943
361.0365 1282.123
361.5186 1319.201
362.0007 1363.108
362.4828 1413.590
362.9649 1471.873
363.4471 1536.648
363.9292 1606.802
364.4113 1682.667
364.8934 1762.794
365.3755 1848.587
365.8576 1938.707
366.3398 2027.358
366.8219 2118.778
367.3040 2199.976
367.7861 2262.073
368.2682 2305.899
368.7503 2325.946
369.2325 2320.246
369.7146 2289.238
370.1967 2232.034
370.6788 2147.283
371.1609 2043.450
371.6430 1920.602
372.1252 1782.714
372.6073 1646.156
373.0894 1510.484
373.5715 1379.288
374.0536 1254.383
374.5357 1136.729
375.0179 1028.876
375.5000 933.3043
375.9821 849.4691
376.4642 774.1885
376.9463 707.5114
377.4284 647.9683
377.9106 596.8306
378.3927 552.3870
378.8748 511.9532
379.3569 474.8938
379.8390 441.2621
380.3211 411.5919
380.8033 386.6709
381.2854 361.6196
381.7675 335.3592
382.2496 309.5536
382.7317 285.2607
383.2138 262.5981
383.6960 241.3630
384.1781 221.2066
384.6602 202.2787
385.1423 185.3893
385.6244 170.8761
386.1065 157.5523
386.5887 145.2077
387.0708 133.8248
387.5529 123.4219
388.0350 114.0162
388.5171 105.4218
388.9992 97.17595
389.4814 88.98644
389.9635 81.74707
390.4456 75.81660
390.9277 70.57588
391.4098 65.51917
391.8919 60.59596
392.3741 56.05092
392.8562 52.24214
393.3383 49.31493
393.8204 45.87565
394.3025 40.98923
394.7846 36.58770
395.2668 33.32416
395.7489 31.01807
396.2310 29.34518
396.7131 28.16957
397.1952 27.28690
397.6773 25.95415
398.1595 23.80083
398.6416 21.78696
399.1237 20.00847
399.6058 18.41624
400.0879 16.98312
400.5700 15.69482
401.0522 14.52169
401.5343 13.41044
402.0164 12.36313
402.4985 11.40197
402.9806 10.43220
403.4627 9.657814
403.9449 9.186615
404.4270 8.998154
404.9091 9.039040
405.3912 9.383667
405.8733 9.857788
406.3554 9.799774
406.8376 8.841217
407.3197 8.177811
407.8018 8.847702
408.2839 9.778206
408.7660 9.768898
409.2481 8.420204
409.7303 6.787003
410.2124 5.887650
410.6945 5.688713
411.1766 5.644264
411.6587 5.745003
412.1408 5.831696
412.6230 5.827736
413.1051 5.720901
413.5872 5.374870
414.0693 4.820236
414.5514 3.958862
415.0335 2.350464
415.5157 0.1391140
415.9978 2.137352
416.4799 2.500237
416.9620 1.703194
417.4441 1.339180
417.9262 1.518059
418.4084 2.068146
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