#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:50:58 +0300 (Thu, 24 May 2018) $
#$Revision: 827 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000316.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_1000316
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        R120004
_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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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            R120004.rod
_rod_data_source.block           3500000
_rod_database.code               1000316
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
90.49219 0.0000000E+00
90.97430 0.5005910
91.45642 0.7296330
91.93854 0.6336980
92.42065 0.4309200
92.90277 0.3623580
93.38489 0.2662280
93.86700 0.1659240
94.34912 4.4820001E-03
94.83124 0.1345440
95.31335 5.7381000E-02
95.79547 0.5425190
96.27759 1.057480
96.75970 1.260498
97.24182 1.185902
97.72394 1.140446
98.20605 1.194546
98.68817 1.439671
99.17029 1.684235
99.65240 1.793854
100.1345 1.869801
100.6166 2.447182
101.0988 3.515495
101.5809 4.467999
102.0630 5.122684
102.5451 5.482204
103.0272 5.509220
103.5093 5.028610
103.9915 4.308472
104.4736 4.159046
104.9557 4.937012
105.4378 5.845169
105.9199 6.274576
106.4020 5.892569
106.8842 5.649403
107.3663 5.586376
107.8484 5.679026
108.3305 6.031977
108.8126 7.105639
109.2947 8.171463
109.7769 8.541101
110.2590 7.118958
110.7411 6.144911
111.2232 6.194414
111.7053 7.570053
112.1874 8.624697
112.6696 9.087662
113.1517 9.251312
113.6338 9.438324
114.1159 9.577015
114.5980 9.837418
115.0801 10.34204
115.5623 11.33677
116.0444 12.03523
116.5265 11.96561
117.0086 11.48031
117.4907 11.25619
117.9728 11.76546
118.4550 12.48721
118.9371 13.21331
119.4192 13.58869
119.9013 14.01859
120.3834 15.06018
120.8655 16.49546
121.3477 17.88818
121.8298 18.96819
122.3119 19.78278
122.7940 20.61378
123.2761 21.30357
123.7582 21.66907
124.2404 21.77132
124.7225 21.79873
125.2046 21.62459
125.6867 21.05039
126.1688 20.22079
126.6509 19.39062
127.1331 18.60366
127.6152 17.95542
128.0973 17.61994
128.5794 17.61810
129.0615 17.67321
129.5436 17.55967
130.0258 17.27610
130.5079 16.81888
130.9900 16.06160
131.4721 15.11928
131.9542 14.33092
132.4363 13.71580
132.9185 13.22964
133.4006 12.88222
133.8827 12.67188
134.3648 12.36637
134.8469 11.77927
135.3290 10.93411
135.8112 10.17489
136.2933 9.535367
136.7754 8.988084
137.2575 8.478209
137.7396 8.003617
138.2217 7.572729
138.7039 7.204805
139.1860 6.912539
139.6681 6.591558
140.1502 6.222144
140.6323 5.816822
141.1144 5.438658
141.5966 5.113495
142.0787 4.765432
142.5608 4.317144
143.0429 3.710157
143.5250 3.171612
144.0071 2.757175
144.4893 2.460880
144.9714 2.126726
145.4535 1.773928
145.9356 1.363018
146.4177 0.8421250
146.8998 7.5173996E-02
147.3820 0.5872060
147.8641 1.014538
148.3462 0.8182470
148.8283 0.8790360
149.3104 1.393877
149.7925 2.074860
150.2747 2.598000
150.7568 2.910334
151.2389 3.111101
151.7210 3.210941
152.2031 3.195385
152.6852 3.130407
153.1674 2.917387
153.6495 2.672127
154.1316 2.560112
154.6137 2.907804
155.0958 3.120813
155.5779 2.992821
156.0601 2.389374
156.5422 1.727423
157.0243 0.9881970
157.5064 0.2358470
157.9885 0.4064290
158.4706 0.6494960
158.9528 0.9735340
159.4349 1.597178
159.9170 2.598961
160.3991 3.823814
160.8812 5.262932
161.3633 6.898411
161.8455 8.680044
162.3276 10.53172
162.8097 12.55163
163.2918 14.84195
163.7739 17.40837
164.2560 20.23512
164.7382 23.34709
165.2203 26.72515
165.7024 30.29453
166.1845 34.01150
166.6666 37.93058
167.1487 42.03089
167.6309 46.12126
168.1130 50.64158
168.5951 55.76368
169.0772 61.50935
169.5593 67.87695
170.0414 75.10313
170.5236 82.90862
171.0057 90.87019
171.4878 99.34026
171.9699 107.6531
172.4520 115.6717
172.9341 123.3393
173.4163 129.3525
173.8984 133.5389
174.3805 135.3525
174.8626 133.8489
175.3447 127.5319
175.8268 118.3798
176.3090 107.7841
176.7911 95.81459
177.2732 84.13262
177.7553 73.22172
178.2374 63.25566
178.7195 55.11485
179.2017 49.80143
179.6838 46.17415
180.1659 42.60312
180.6480 38.99894
181.1301 35.92608
181.6122 34.03924
182.0944 33.12738
182.5765 32.53739
183.0586 32.09085
183.5407 31.74209
184.0228 31.37210
184.5049 30.96323
184.9871 30.61578
185.4692 30.52094
185.9513 30.63068
186.4334 30.66631
186.9155 30.48404
187.3976 30.12482
187.8798 29.70174
188.3619 29.19783
188.8440 28.70242
189.3261 28.40524
189.8082 28.28693
190.2903 28.07039
190.7725 27.46999
191.2546 26.59070
191.7367 26.10482
192.2188 26.11536
192.7009 26.32011
193.1830 26.17683
193.6652 25.68374
194.1473 25.23439
194.6294 25.20026
195.1115 25.51931
195.5936 25.30182
196.0757 24.36648
196.5579 23.10970
197.0400 22.27768
197.5221 21.89242
198.0042 21.66311
198.4863 21.49845
198.9684 21.39979
199.4506 21.12074
199.9327 20.55256
200.4148 19.90740
200.8969 19.72298
201.3790 20.08779
201.8611 20.45116
202.3433 20.48554
202.8254 20.16635
203.3075 19.79169
203.7896 19.33461
204.2717 18.86243
204.7538 18.53327
205.2360 18.34557
205.7181 18.29439
206.2002 18.48920
206.6823 18.98689
207.1644 19.16499
207.6465 18.84344
208.1287 18.23635
208.6108 18.00420
209.0929 18.23978
209.5750 18.62495
210.0571 18.95219
210.5392 19.19690
211.0214 19.56989
211.5035 20.15705
211.9856 20.85450
212.4677 21.25954
212.9498 21.17537
213.4319 21.29884
213.9140 22.06908
214.3962 23.54429
214.8783 25.54833
215.3604 28.27715
215.8425 31.50902
216.3246 33.96258
216.8067 34.98107
217.2889 36.49605
217.7710 39.90674
218.2531 45.95978
218.7352 51.71693
219.2173 56.75499
219.6994 61.30467
220.1816 66.41058
220.6637 72.51962
221.1458 78.66700
221.6279 84.05822
222.1100 88.29290
222.5921 92.84196
223.0743 98.05865
223.5564 103.7272
224.0385 108.9268
224.5206 113.1230
225.0027 117.4591
225.4848 122.6822
225.9670 129.0993
226.4491 135.5254
226.9312 141.7426
227.4133 147.8816
227.8954 154.9012
228.3775 162.6327
228.8597 171.2564
229.3418 180.8512
229.8239 191.6296
230.3060 202.9043
230.7881 214.3844
231.2702 226.2992
231.7524 239.1985
232.2345 252.6455
232.7166 267.4120
233.1987 283.9986
233.6808 303.4700
234.1629 322.4282
234.6451 341.5918
235.1272 360.2168
235.6093 376.1391
236.0914 392.5816
236.5735 401.9568
237.0556 399.9662
237.5378 384.9146
238.0199 361.9217
238.5020 328.8450
238.9841 287.8700
239.4662 248.5862
239.9483 209.5361
240.4305 174.1035
240.9126 143.7913
241.3947 119.3216
241.8768 98.38795
242.3589 81.29073
242.8410 67.66135
243.3232 56.02670
243.8053 46.76176
244.2874 39.05426
244.7695 32.64323
245.2516 27.73847
245.7337 23.56741
246.2159 20.22767
246.6980 17.57559
247.1801 15.20530
247.6622 13.04353
248.1443 11.23852
248.6264 9.900085
249.1086 9.159981
249.5907 8.556915
250.0728 8.107323
250.5549 7.784531
251.0370 7.535988
251.5191 7.441841
252.0013 7.299438
252.4834 6.983696
252.9655 6.330460
253.4476 5.919586
253.9297 5.695107
254.4118 5.738335
254.8940 6.305435
255.3761 7.693306
255.8582 9.084511
256.3403 10.07186
256.8224 10.42002
257.3046 11.09859
257.7867 12.02803
258.2688 13.32108
258.7509 15.21738
259.2330 17.77071
259.7151 20.75821
260.1973 24.15729
260.6794 27.94003
261.1615 31.92755
261.6436 36.00853
262.1257 40.33704
262.6078 45.31035
263.0900 51.29212
263.5721 56.98240
264.0542 62.20901
264.5363 67.32542
265.0184 69.99178
265.5005 70.02713
265.9827 67.93887
266.4648 64.26967
266.9469 58.78418
267.4290 52.42657
267.9111 45.07385
268.3932 36.63301
268.8754 29.21469
269.3575 22.89745
269.8396 17.47906
270.3217 12.79083
270.8038 8.816505
271.2859 5.686584
271.7681 3.666710
272.2502 2.717606
272.7323 1.500710
273.2144 8.4206000E-02
273.6965 1.703873
274.1786 2.977242
274.6608 3.863579
275.1429 4.691193
275.6250 5.619537
276.1071 6.580467
276.5892 6.952866
277.0714 6.564369
277.5535 6.075333
278.0356 6.214767
278.5177 7.071556
278.9998 7.623169
279.4819 7.566643
279.9641 7.066429
280.4462 6.890373
280.9283 7.108849
281.4104 7.344261
281.8925 7.288368
282.3746 6.938324
282.8568 6.494453
283.3389 5.980141
283.8210 5.396156
284.3031 4.761803
284.7852 4.076500
285.2673 3.284531
285.7495 2.312561
286.2316 1.167587
286.7137 4.8813000E-02
287.1958 1.357742
287.6779 2.687202
288.1600 3.773033
288.6422 4.607216
289.1243 5.687775
289.6064 7.324715
290.0885 9.467041
290.5706 11.75988
291.0527 14.12115
291.5349 16.73771
292.0170 20.07422
292.4991 24.04186
292.9812 28.04214
293.4633 31.44440
293.9454 34.56573
294.4276 38.48573
294.9097 43.32033
295.3918 48.51073
295.8739 53.54248
296.3560 58.34329
296.8381 62.82022
297.3203 67.11703
297.8024 70.97038
298.2845 73.78053
298.7666 75.50002
299.2487 76.64091
299.7308 77.36989
300.2130 77.90739
300.6951 78.86203
301.1772 80.31102
301.6593 82.38583
302.1414 85.43639
302.6235 89.42317
303.1057 93.89526
303.5878 97.92180
304.0699 102.1972
304.5520 107.9294
305.0341 115.6917
305.5162 124.8786
305.9984 134.8427
306.4805 145.5930
306.9626 157.8719
307.4447 172.0399
307.9268 188.0025
308.4089 205.6169
308.8911 225.6738
309.3732 246.1148
309.8553 265.9011
310.3374 284.7791
310.8195 302.3050
311.3016 319.8896
311.7838 334.8828
312.2659 345.4919
312.7480 352.0548
313.2301 352.2233
313.7122 343.1552
314.1943 326.7161
314.6765 306.9923
315.1586 283.3596
315.6407 258.8345
316.1228 234.3482
316.6049 209.5053
317.0870 187.5607
317.5692 170.5612
318.0513 157.3484
318.5334 146.4370
319.0155 137.4610
319.4976 130.5635
319.9797 125.9964
320.4619 123.8130
320.9440 123.3849
321.4261 124.9771
321.9082 128.0422
322.3903 132.0641
322.8724 138.0043
323.3546 143.8020
323.8367 148.9732
324.3188 153.5121
324.8009 157.7154
325.2830 163.1197
325.7651 167.2523
326.2473 168.4943
326.7294 165.3132
327.2115 160.8589
327.6936 154.7716
328.1757 147.4434
328.6578 140.5190
329.1400 133.2496
329.6221 127.0266
330.1042 122.3674
330.5863 119.3568
331.0684 117.7365
331.5505 117.4008
332.0327 118.4281
332.5148 121.0260
332.9969 125.4233
333.4790 131.0960
333.9611 137.9183
334.4432 145.8620
334.9254 155.3369
335.4075 166.6290
335.8896 179.0535
336.3717 191.6389
336.8538 204.0402
337.3359 217.2460
337.8180 231.5736
338.3001 246.9224
338.7823 262.2794
339.2644 277.2467
339.7465 292.6905
340.2286 309.5509
340.7107 327.8375
341.1928 346.7363
341.6750 365.6055
342.1571 384.9174
342.6392 404.9351
343.1213 425.5350
343.6034 448.4414
344.0855 475.3658
344.5677 506.0075
345.0498 538.8702
345.5319 573.2424
346.0140 610.2482
346.4961 652.1719
346.9782 698.7577
347.4604 748.9786
347.9425 802.0655
348.4246 858.2382
348.9067 916.9565
349.3888 978.5501
349.8709 1041.017
350.3531 1104.075
350.8352 1166.562
351.3173 1223.904
351.7994 1277.829
352.2815 1324.610
352.7636 1359.131
353.2458 1381.365
353.7279 1390.976
354.2100 1384.051
354.6921 1364.815
355.1742 1340.370
355.6563 1310.459
356.1385 1278.579
356.6206 1245.178
357.1027 1211.279
357.5848 1183.022
358.0669 1163.010
358.5490 1150.556
359.0312 1145.070
359.5133 1146.433
359.9954 1154.658
360.4775 1169.374
360.9596 1191.008
361.4417 1220.135
361.9239 1257.598
362.4060 1302.376
362.8881 1353.578
363.3702 1410.728
363.8523 1476.193
364.3344 1552.169
364.8166 1636.368
365.2987 1726.955
365.7808 1825.182
366.2629 1925.749
366.7450 2029.829
367.2271 2137.242
367.7093 2237.538
368.1914 2335.380
368.6735 2422.038
369.1556 2492.384
369.6377 2554.861
370.1198 2588.244
370.6020 2591.886
371.0841 2565.840
371.5662 2509.391
372.0483 2416.680
372.5304 2301.616
373.0125 2166.875
373.4947 2005.995
373.9768 1845.821
374.4589 1682.135
374.9410 1520.660
375.4231 1372.275
375.9052 1236.242
376.3874 1112.437
376.8695 1002.534
377.3516 905.1790
377.8337 818.6251
378.3158 742.4201
378.7979 674.8907
379.2801 616.0566
379.7622 565.5665
380.2443 520.4733
380.7264 479.8699
381.2085 443.9322
381.6906 413.5004
382.1728 388.7340
382.6549 366.1356
383.1370 343.7575
383.6191 321.7097
384.1012 301.5374
384.5833 283.3914
385.0655 266.3169
385.5476 249.2677
386.0297 232.1963
386.5118 215.8773
386.9939 200.4905
387.4760 185.9719
387.9582 172.1470
388.4403 158.8953
388.9224 146.4292
389.4045 134.9826
389.8866 124.5327
390.3687 114.9915
390.8509 106.6704
391.3330 99.05427
391.8151 91.68642
392.2972 84.65745
392.7793 78.19215
393.2614 72.31099
393.7436 67.12328
394.2257 62.68159
394.7078 59.32166
395.1899 56.00101
395.6720 52.22691
396.1541 48.27681
396.6363 44.59841
397.1184 41.36197
397.6005 38.35422
398.0826 35.47440
398.5647 32.69396
399.0468 30.24329
399.5290 28.27674
400.0111 26.57742
400.4932 24.96782
400.9753 23.46250
401.4574 22.02860
401.9395 20.77817
402.4217 19.62679
402.9038 18.15456
403.3859 16.04128
403.8680 14.07729
404.3501 12.67771
404.8322 12.03150
405.3144 11.32027
405.7965 10.48199
406.2786 9.663933
406.7607 9.257454
407.2428 9.427849
407.7249 9.136444
408.2071 7.831703
408.6892 5.739632
409.1713 4.400597
409.6534 3.853920
410.1355 3.586014
410.6176 3.194931
411.0998 2.695290
411.5819 2.142677
412.0640 1.563171
412.5461 0.9020540
413.0282 0.1242600
413.5103 1.415985
413.9925 2.411728
414.4746 2.617668
414.9567 2.386452
415.4388 2.210670
415.9209 2.120789
416.4030 2.163223
416.8852 2.498749
417.3673 2.973503
417.8494 3.338402
418.3315 3.363762
418.8136 3.361389
419.2957 3.606590
419.7779 4.043976
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