#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:28 +0300 (Thu, 24 May 2018) $
#$Revision: 904 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000382.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_1000382
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        R070722
_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            R070722.rod
_rod_data_source.block           3500000
_rod_database.code               1000382
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
127.2373 0.0000000E+00
127.7194 49.19629
128.2015 98.06152
128.6837 134.3818
129.1658 142.6426
129.6479 84.09863
130.1300 34.24512
130.6121 9.210938
131.0942 0.9785160
131.5764 0.8251950
132.0585 0.1562500
132.5406 7.616211
133.0227 19.74414
133.5048 44.16406
133.9869 58.55469
134.4691 58.18359
134.9512 47.63574
135.4333 34.79590
135.9154 21.91016
136.3975 10.15039
136.8796 1.138672
137.3618 4.907227
137.8439 6.940430
138.3260 29.54199
138.8081 29.46680
139.2902 31.74121
139.7723 60.32812
140.2545 114.4033
140.7366 147.4346
141.2187 150.0352
141.7008 133.5088
142.1829 104.0928
142.6650 58.49805
143.1472 17.22266
143.6293 2.635742
144.1114 9.965820
144.5935 25.85547
145.0756 55.20703
145.5577 90.69238
146.0399 107.3057
146.5220 95.45605
147.0041 67.74023
147.4862 29.62109
147.9683 17.53711
148.4504 56.54102
148.9326 71.23730
149.4147 60.08203
149.8968 42.40234
150.3789 12.30957
150.8610 17.77637
151.3431 37.74316
151.8252 45.80078
152.3074 53.46777
152.7895 82.06250
153.2716 150.3574
153.7537 198.4736
154.2358 210.0547
154.7179 207.2822
155.2001 209.7588
155.6822 225.9707
156.1643 249.5361
156.6464 260.3623
157.1285 231.0957
157.6106 220.6279
158.0928 248.6777
158.5749 296.1885
159.0570 336.5420
159.5391 353.1650
160.0212 348.9072
160.5033 354.8008
160.9855 364.8408
161.4676 389.0186
161.9497 447.7158
162.4318 527.0928
162.9139 588.5596
163.3960 599.0840
163.8782 556.1289
164.3603 533.4717
164.8424 538.1289
165.3245 554.9287
165.8066 582.3789
166.2887 618.6816
166.7709 644.8105
167.2530 635.7910
167.7351 592.3623
168.2172 567.0547
168.6993 571.8701
169.1814 595.0557
169.6636 625.8389
170.1457 665.1416
170.6278 703.0137
171.1099 731.1562
171.5920 750.8516
172.0741 758.8721
172.5563 741.0547
173.0384 709.2441
173.5205 698.6572
174.0026 719.9707
174.4847 758.0273
174.9668 801.8184
175.4490 850.6855
175.9311 894.5928
176.4132 930.4678
176.8953 958.1523
177.3774 967.2188
177.8595 942.5840
178.3417 907.6318
178.8238 869.6504
179.3059 830.6221
179.7880 804.5146
180.2701 805.4404
180.7522 833.8584
181.2344 888.9893
181.7165 1031.244
182.1986 1161.144
182.6807 1204.945
183.1628 1144.371
183.6449 1033.214
184.1271 960.5498
184.6092 943.7939
185.0913 934.2139
185.5734 931.0684
186.0555 929.1768
186.5376 918.9102
187.0198 896.5635
187.5019 874.8154
187.9840 888.5527
188.4661 995.6045
188.9482 1065.361
189.4303 1065.619
189.9125 1031.470
190.3946 1003.045
190.8767 1000.691
191.3588 1018.985
191.8409 1032.154
192.3230 1038.839
192.8052 1041.850
193.2873 1027.000
193.7694 1009.573
194.2515 1021.207
194.7336 1086.201
195.2157 1194.600
195.6979 1248.463
196.1800 1200.790
196.6621 1159.811
197.1442 1161.909
197.6263 1203.206
198.1084 1271.123
198.5906 1367.599
199.0727 1485.362
199.5548 1551.403
200.0369 1519.392
200.5190 1480.225
201.0011 1485.643
201.4833 1535.009
201.9654 1601.177
202.4475 1670.807
202.9296 1742.523
203.4117 1800.060
203.8938 1832.947
204.3760 1859.377
204.8581 1898.019
205.3402 1951.835
205.8223 2003.000
206.3044 2018.661
206.7865 2013.965
207.2687 2046.880
207.7508 2158.816
208.2329 2302.329
208.7150 2407.768
209.1971 2461.774
209.6792 2512.486
210.1614 2611.457
210.6435 2737.654
211.1256 2841.541
211.6077 2877.632
212.0898 2884.897
212.5719 2956.293
213.0541 3126.436
213.5362 3293.649
214.0183 3375.049
214.5004 3398.429
214.9825 3431.561
215.4646 3511.466
215.9468 3630.776
216.4289 3758.271
216.9110 3898.047
217.3931 4036.446
217.8752 4170.646
218.3573 4301.664
218.8395 4427.406
219.3216 4540.736
219.8037 4640.339
220.2858 4741.495
220.7679 4836.260
221.2500 4948.527
221.7322 5101.670
222.2143 5283.706
222.6964 5458.603
223.1785 5599.246
223.6606 5705.064
224.1427 5790.448
224.6249 5840.255
225.1070 5880.676
225.5891 5920.088
226.0712 5958.675
226.5533 5993.717
227.0354 6026.535
227.5176 6060.197
227.9997 6067.891
228.4818 6039.879
228.9639 5992.658
229.4460 5931.739
229.9281 5857.191
230.4103 5765.168
230.8924 5650.447
231.3745 5508.053
231.8566 5362.268
232.3387 5196.420
232.8208 5040.320
233.3030 4909.392
233.7851 4802.812
234.2672 4713.030
234.7493 4642.520
235.2314 4622.809
235.7135 4500.777
236.1957 4199.758
236.6778 3877.208
237.1599 3609.069
237.6420 3405.062
238.1241 3239.498
238.6062 3085.296
239.0884 2941.924
239.5705 2813.397
240.0526 2695.653
240.5347 2593.163
241.0168 2515.357
241.4989 2459.475
241.9811 2412.248
242.4632 2361.656
242.9453 2319.843
243.4274 2227.735
243.9095 2048.228
244.3916 1854.390
244.8738 1681.531
245.3559 1539.204
245.8380 1426.019
246.3201 1343.436
246.8022 1305.226
247.2843 1255.902
247.7665 1196.663
248.2486 1126.558
248.7307 1035.549
249.2128 926.2227
249.6949 823.1904
250.1770 756.5645
250.6592 741.9043
251.1413 712.5576
251.6234 646.7295
252.1055 581.8164
252.5876 555.0693
253.0697 567.9209
253.5519 580.8027
254.0340 548.2109
254.5161 453.9492
254.9982 374.3965
255.4803 310.5312
255.9624 260.5459
256.4445 225.6963
256.9267 205.5166
257.4088 194.6250
257.8909 191.4023
258.3730 200.3789
258.8551 184.3438
259.3372 109.9189
259.8194 32.05273
260.3015 1.591797
260.7836 22.56934
261.2657 55.05664
261.7478 62.88477
262.2299 41.82227
262.7121 9.558594
263.1942 52.20996
263.6763 112.9805
264.1584 146.0049
264.6405 149.2764
265.1227 140.6309
265.6048 134.6660
266.0869 131.6045
266.5690 126.3379
267.0511 118.8887
267.5332 109.0850
268.0154 90.65918
268.4975 64.45410
268.9796 50.18262
269.4617 69.72852
269.9438 123.0127
270.4259 158.2686
270.9081 163.3672
271.3902 157.7354
271.8723 154.7949
272.3544 155.4287
272.8365 157.7520
273.3186 163.1992
273.8008 169.7363
274.2829 163.7236
274.7650 125.9268
275.2471 89.58789
275.7292 89.19434
276.2113 121.8262
276.6935 143.6016
277.1756 121.0176
277.6577 58.89258
278.1398 8.424805
278.6219 26.85938
279.1040 53.73828
279.5862 73.61328
280.0683 87.58398
280.5504 102.2432
281.0325 120.0576
281.5146 142.5293
281.9967 172.1191
282.4789 206.9961
282.9610 250.3506
283.4431 305.8926
283.9252 372.5732
284.4073 444.0010
284.8894 517.9277
285.3716 594.1035
285.8537 672.1602
286.3358 755.8154
286.8179 836.4092
287.3000 907.4941
287.7821 970.9277
288.2643 1031.813
288.7464 1090.618
289.2285 1151.007
289.7106 1220.215
290.1927 1296.105
290.6748 1382.687
291.1570 1484.039
291.6391 1598.216
292.1212 1718.656
292.6033 1843.418
293.0854 1972.825
293.5675 2108.514
294.0497 2255.861
294.5318 2397.778
295.0139 2520.296
295.4960 2632.624
295.9781 2755.079
296.4602 2893.519
296.9424 3046.238
297.4245 3216.130
297.9066 3412.057
298.3887 3585.636
298.8708 3713.667
299.3529 3810.926
299.8351 3897.478
300.3172 3974.572
300.7993 4056.231
301.2814 4163.810
301.7635 4294.927
302.2456 4444.639
302.7278 4636.322
303.2099 4836.617
303.6920 4998.830
304.1741 5113.030
304.6562 5197.454
305.1383 5266.049
305.6205 5317.514
306.1026 5373.836
306.5847 5441.411
307.0668 5513.331
307.5489 5584.454
308.0310 5654.344
308.5132 5720.354
308.9953 5785.150
309.4774 5847.467
309.9595 5877.605
310.4416 5857.576
310.9237 5816.890
311.4059 5776.869
311.8880 5738.821
312.3701 5695.979
312.8522 5644.309
313.3343 5582.549
313.8164 5506.797
314.2986 5405.099
314.7807 5301.134
315.2628 5204.359
315.7449 5116.312
316.2270 5036.204
316.7091 4959.506
317.1913 4892.915
317.6734 4870.315
318.1555 4945.010
318.6376 4999.814
319.1197 4960.973
319.6018 4865.930
320.0840 4806.380
320.5661 4829.948
321.0482 4908.296
321.5303 4956.738
322.0124 4948.783
322.4945 4956.824
322.9767 5005.699
323.4588 5077.943
323.9409 5146.544
324.4230 5201.205
324.9051 5252.338
325.3872 5321.207
325.8694 5409.497
326.3515 5514.782
326.8336 5652.438
327.3157 5795.932
327.7978 5917.926
328.2799 6012.741
328.7621 6094.460
329.2442 6182.059
329.7263 6281.242
330.2084 6368.485
330.6905 6419.641
331.1726 6475.853
331.6548 6580.227
332.1369 6730.924
332.6190 6881.310
333.1011 6978.443
333.5832 7005.910
334.0653 7055.408
334.5475 7136.436
335.0296 7229.484
335.5117 7327.877
335.9938 7429.913
336.4759 7537.844
336.9580 7655.641
337.4402 7783.023
337.9223 7900.826
338.4044 7987.096
338.8865 8087.292
339.3686 8214.279
339.8507 8363.809
340.3329 8528.076
340.8150 8704.362
341.2971 8889.784
341.7792 9072.782
342.2613 9242.853
342.7434 9424.453
343.2256 9617.147
343.7077 9822.945
344.1898 10039.73
344.6719 10266.99
345.1540 10513.99
345.6361 10802.24
346.1183 11140.34
346.6004 11506.61
347.0825 11898.01
347.5646 12309.35
348.0467 12737.80
348.5288 13180.69
349.0110 13645.27
349.4931 14139.81
349.9752 14672.40
350.4573 15209.31
350.9394 15734.42
351.4215 16283.49
351.9037 16882.47
352.3858 17526.18
352.8679 18185.52
353.3500 18823.92
353.8321 19443.19
354.3142 20128.26
354.7964 20919.61
355.2785 21722.50
355.7606 22495.47
356.2427 23257.96
356.7248 24050.29
357.2069 24899.62
357.6891 25780.60
358.1712 26612.05
358.6533 27364.47
359.1354 28152.68
359.6175 29060.10
360.0996 30007.00
360.5818 30902.39
361.0639 31711.64
361.5460 32482.46
362.0281 33291.11
362.5102 34152.86
362.9923 34931.98
363.4745 35590.18
363.9566 36132.49
364.4387 36567.89
364.9208 36902.22
365.4029 37112.64
365.8850 37183.43
366.3672 37113.29
366.8493 36911.15
367.3314 36599.66
367.8135 36118.80
368.2956 35399.36
368.7777 34462.04
369.2599 33417.50
369.7420 32289.58
370.2241 31092.12
370.7062 29844.81
371.1883 28543.88
371.6704 27232.25
372.1526 25930.42
372.6347 24630.41
373.1168 23314.05
373.5989 21917.76
374.0810 20550.54
374.5631 19293.96
375.0453 18140.90
375.5274 17046.15
376.0095 15976.16
376.4916 14943.56
376.9737 13981.20
377.4558 13100.42
377.9380 12262.01
378.4201 11446.28
378.9022 10660.45
379.3843 9929.102
379.8664 9263.751
380.3485 8648.781
380.8307 8064.937
381.3128 7506.995
381.7949 6987.727
382.2770 6513.262
382.7591 6073.755
383.2412 5668.034
383.7234 5293.374
384.2055 4944.958
384.6876 4620.171
385.1697 4320.668
385.6518 4037.942
386.1339 3777.160
386.6161 3524.804
387.0982 3261.293
387.5803 2997.905
388.0624 2769.928
388.5445 2604.724
389.0266 2496.470
389.5088 2385.661
389.9909 2295.652
390.4730 2173.866
390.9551 1971.579
391.4372 1746.494
391.9193 1574.204
392.4015 1488.397
392.8836 1453.076
393.3657 1395.344
393.8478 1306.811
394.3299 1216.948
394.8120 1124.060
395.2942 1035.131
395.7763 955.6641
396.2584 886.0674
396.7405 822.1416
397.2226 759.6162
397.7047 698.7695
398.1869 640.6943
398.6690 587.0674
399.1511 534.5088
399.6332 478.5293
400.1153 421.9072
400.5974 372.1328
401.0796 335.0176
401.5617 307.0195
402.0438 282.6074
402.5259 264.4600
403.0080 239.3320
403.4901 187.5576
403.9723 127.6982
404.4544 89.68750
404.9365 85.63281
405.4186 92.57715
405.9007 98.34180
406.3828 101.1719
406.8650 88.67285
407.3471 49.32617
407.8292 2.187500
408.3113 20.19043
408.7934 14.86230
409.2755 9.521484
409.7577 8.175781
410.2398 12.17969
410.7219 27.93164
411.2040 56.53906
411.6861 80.83008
412.1682 79.80469
412.6504 48.45020
413.1325 39.77441
413.6146 82.93262
414.0967 121.2949
414.5788 114.8809
415.0609 75.26172
415.5431 41.78809
416.0252 39.26270
416.5073 60.52637
416.9894 72.16797
417.4715 54.82422
417.9536 51.20703
418.4358 78.51074
418.9179 115.3760
419.4000 140.2188
419.8821 146.1904
420.3642 139.5449
420.8463 126.6699
421.3285 99.19629
421.8106 88.99414
422.2927 122.7588
422.7748 149.5059
423.2569 137.4609
423.7390 93.72266
424.2212 48.80762
424.7033 23.78516
425.1854 17.40234
425.6675 25.09863
426.1496 61.90820
426.6317 86.70801
427.1139 72.06934
427.5960 42.05273
428.0781 30.38965
428.5602 54.26465
429.0423 83.79102
429.5244 73.84961
430.0066 23.17285
430.4887 8.890625
430.9708 5.589844
431.4529 35.42969
431.9350 44.79883
432.4171 32.79395
432.8993 17.49512
433.3814 5.002930
433.8635 4.486328
434.3456 7.911133
434.8277 3.640625
435.3098 4.101563
435.7920 24.16895
436.2741 61.55273
436.7562 84.42676
437.2383 77.21484
437.7204 68.57227
438.2025 76.28223
438.6847 96.54492
439.1668 117.9053
439.6489 135.3916
440.1310 148.6426
440.6131 156.2559
441.0952 140.4648
441.5774 144.4941
442.0595 186.5752
442.5416 239.8154
443.0237 279.8525
443.5058 302.6143
443.9879 318.4463
444.4701 337.4717
444.9522 358.7256
445.4343 389.8018
445.9164 450.4385
446.3985 500.8447
446.8806 521.5010
447.3628 523.1875
447.8449 525.4316
448.3270 537.8926
448.8091 559.6270
449.2912 589.2988
449.7733 628.6562
450.2555 670.9580
450.7376 718.9346
451.2197 766.3887
451.7018 813.0801
452.1839 858.4307
452.6660 889.0791
453.1482 881.2334
453.6303 845.9043
454.1124 841.1602
454.5945 890.3975
455.0766 933.7422
455.5587 907.1660
456.0409 832.0752
456.5230 768.8682
457.0051 747.5986
457.4872 730.4561
457.9693 676.3955
458.4514 592.2012
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1227.427 58.85303
1227.910 60.81152
1228.392 62.08618
1228.874 63.70996
1229.356 59.98779
1229.838 35.29126
1230.320 12.08569
1230.802 24.87939
1231.284 62.07886
1231.766 75.78491
1232.249 54.51929
1232.731 33.65942
1233.213 8.040039
1233.695 5.619873
1234.177 1.993164
1234.659 10.54614
1235.141 32.36108
1235.623 52.02051
1236.106 50.55054
1236.588 61.50366
1237.070 64.77612
1237.552 57.43726
1238.034 61.93286
1238.516 45.81982
1238.998 30.70288
1239.480 23.34351
1239.963 21.12598
1240.445 22.58594
1240.927 25.39697
1241.409 26.01660
1241.891 25.67773
1242.373 25.20557
1242.855 26.26245
1243.337 35.54883
1243.819 49.41113
1244.302 53.46021
1244.784 42.07446
1245.266 31.23975
1245.748 27.43994
1246.230 26.99756
1246.712 29.40918
1247.194 32.97681
1247.676 41.75049
1248.158 47.57837
1248.641 32.28076
1249.123 0.2216800
1249.605 7.695801
1250.087 22.51294
1250.569 47.86084
1251.051 69.93042
1251.533 83.00659
1252.015 83.81006
1252.498 57.18140
1252.980 46.82788
1253.462 33.61938
1253.944 20.78931
1254.426 10.93018
1254.908 0.0000000E+00
