#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:59 +0300 (Thu, 24 May 2018) $
#$Revision: 897 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000375.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_1000375
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        R060350
_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            R060350.rod
_rod_data_source.block           3500000
_rod_database.code               1000375
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
112.9371 0.0000000E+00
113.4192 0.3748250
113.9013 0.4786150
114.3834 0.5268170
114.8655 0.2423480
115.3476 5.8699999E-04
115.8298 5.6931000E-02
116.3119 0.9290390
116.7940 1.479355
117.2761 1.557976
117.7582 1.345573
118.2403 1.036240
118.7225 0.7118150
119.2046 0.3938980
119.6867 0.4456250
120.1688 1.506836
120.6509 2.260551
121.1330 2.781204
121.6152 3.127266
122.0973 3.222092
122.5794 3.040779
123.0615 2.438972
123.5436 1.983879
124.0257 2.193947
124.5079 2.514214
124.9900 2.610825
125.4721 2.771790
125.9542 2.617226
126.4363 1.723946
126.9184 0.5100170
127.4006 0.2195510
127.8827 0.2660370
128.3648 1.559097
128.8469 2.425629
129.3290 2.666458
129.8111 2.518379
130.2932 2.038826
130.7754 1.312065
131.2575 0.6149440
131.7396 0.1550980
132.2217 5.6823999E-02
132.7038 0.1217500
133.1859 0.2149890
133.6681 0.5059280
134.1502 0.4673230
134.6323 0.1176910
135.1144 0.2583690
135.5965 0.2299270
136.0786 0.6350400
136.5608 1.010864
137.0429 0.5421070
137.5250 0.1077120
138.0071 0.4203340
138.4892 0.2458270
138.9713 0.1833650
139.4535 0.3823320
139.9356 8.7508999E-02
140.4177 7.9414003E-02
140.8998 1.8082000E-02
141.3819 0.1741330
141.8640 0.3929900
142.3462 0.6105190
142.8283 0.7818530
143.3104 0.7274320
143.7925 0.1584550
144.2746 0.1219330
144.7567 0.4036250
145.2388 1.567406
145.7210 2.681183
146.2031 3.491653
146.6852 3.970093
147.1673 4.139343
147.6494 3.818893
148.1315 3.452812
148.6137 3.507683
149.0958 4.045120
149.5779 4.566315
150.0600 4.851059
150.5421 4.990395
151.0242 5.035484
151.5064 4.975410
151.9885 4.865303
152.4706 4.779350
152.9527 4.589142
153.4348 4.699440
153.9169 5.331261
154.3991 6.245056
154.8812 7.177292
155.3633 7.990738
155.8454 8.692787
156.3275 9.323242
156.8096 9.785370
157.2918 10.15379
157.7739 10.39847
158.2560 10.57166
158.7381 10.76537
159.2202 11.06071
159.7023 11.46496
160.1845 11.68431
160.6666 11.39101
161.1487 11.24926
161.6308 11.61122
162.1129 12.38501
162.5950 13.21920
163.0772 13.81894
163.5593 14.15986
164.0414 14.31192
164.5235 14.12163
165.0056 13.87626
165.4877 13.73620
165.9698 13.72317
166.4520 13.83633
166.9341 14.13960
167.4162 14.63071
167.8983 14.97433
168.3804 15.33263
168.8625 15.44787
169.3447 14.77427
169.8268 13.03282
170.3089 11.33514
170.7910 11.09336
171.2731 11.93003
171.7552 12.57204
172.2374 12.40899
172.7195 11.66794
173.2016 10.95405
173.6837 10.25498
174.1658 9.735893
174.6479 9.591583
175.1301 9.726639
175.6122 9.772720
176.0943 9.388924
176.5764 8.597412
177.0585 7.971680
177.5406 7.597794
178.0228 7.377861
178.5049 7.351891
178.9870 7.467018
179.4691 7.551079
179.9512 7.401939
180.4333 6.944801
180.9155 6.596848
181.3976 6.566345
181.8797 6.477455
182.3618 6.050697
182.8439 5.325378
183.3260 4.621597
183.8082 4.390816
184.2903 4.992004
184.7724 5.104523
185.2545 4.458511
185.7366 3.650383
186.2187 2.898735
186.7009 2.282089
187.1830 1.884590
187.6651 1.862175
188.1472 2.579803
188.6293 2.896904
189.1114 2.592232
189.5936 2.021027
190.0757 1.431290
190.5578 0.9050670
191.0399 0.4850690
191.5220 0.2058940
192.0041 7.8429997E-02
192.4863 5.0522000E-02
192.9684 0.1646120
193.4505 0.3636170
193.9326 0.5921860
194.4147 0.8197940
194.8968 0.9947360
195.3790 0.9674000
195.8611 0.7080310
196.3432 0.5246120
196.8253 0.6210330
197.3074 0.8373030
197.7895 0.8236690
198.2717 0.3968350
198.7538 0.1316830
199.2359 0.3929900
199.7180 0.4006810
200.2001 0.2752380
200.6822 1.9653000E-02
201.1644 0.3374250
201.6465 0.6604920
202.1286 0.9456410
202.6107 1.149277
203.0928 1.183815
203.5749 1.054939
204.0571 0.9710390
204.5392 1.121429
205.0213 1.503418
205.5034 1.881882
205.9855 2.415230
206.4676 2.747169
206.9497 2.417793
207.4319 1.493401
207.9140 0.7419820
208.3961 1.190903
208.8782 3.098526
209.3603 4.363297
209.8424 4.087257
210.3246 3.617615
210.8067 3.612511
211.2888 4.148621
211.7709 4.925255
212.2530 5.529060
212.7351 5.766319
213.2173 6.168625
213.6994 7.095871
214.1815 8.020432
214.6636 8.620972
215.1457 8.823418
215.6278 8.771988
216.1100 8.744263
216.5921 8.790192
217.0742 8.966934
217.5563 9.349403
218.0384 9.683907
218.5205 9.785522
219.0027 9.667374
219.4848 9.507584
219.9669 9.500763
220.4490 9.667313
220.9311 9.895187
221.4132 10.15976
221.8954 10.52914
222.3775 11.20341
222.8596 12.14315
223.3417 12.92880
223.8238 12.91306
224.3059 11.50381
224.7881 10.99167
225.2702 12.35092
225.7523 14.01186
226.2344 14.52241
226.7165 13.63665
227.1986 12.25539
227.6807 11.40885
228.1629 11.19661
228.6450 11.16038
229.1271 11.46584
229.6092 11.84114
230.0913 12.02158
230.5734 11.96004
231.0556 11.72488
231.5377 11.32857
232.0198 10.77361
232.5019 10.28531
232.9840 9.899963
233.4661 9.600494
233.9483 9.361198
234.4304 9.175171
234.9125 9.070854
235.3946 9.139435
235.8767 9.337402
236.3588 9.480972
236.8410 9.458946
237.3231 9.377419
237.8052 9.470322
238.2873 9.847916
238.7694 10.06724
239.2515 9.477692
239.7337 8.432968
240.2158 7.730072
240.6979 7.880318
241.1800 8.487701
241.6621 8.853333
242.1442 8.968414
242.6264 8.834167
243.1085 8.082047
243.5906 7.126328
244.0727 6.716759
244.5548 7.505959
245.0369 8.882515
245.5191 9.457024
246.0012 8.884697
246.4833 8.317131
246.9654 8.507248
247.4475 8.995354
247.9296 9.147835
248.4117 8.612251
248.8939 7.663971
249.3760 6.838974
249.8581 5.993462
250.3402 5.627983
250.8223 6.358765
251.3044 7.440918
251.7866 8.007362
252.2687 7.625793
252.7508 6.696007
253.2329 6.154472
253.7150 6.294243
254.1971 6.225601
254.6793 5.366562
255.1614 4.389122
255.6435 4.058693
256.1256 4.717087
256.6077 5.799339
257.0898 6.064178
257.5720 5.017029
258.0541 4.130493
258.5362 3.605904
259.0183 3.317787
259.5004 3.265305
259.9825 3.434166
260.4647 3.603554
260.9468 3.281975
261.4289 1.951637
261.9110 1.169525
262.3931 1.316963
262.8752 1.777527
263.3574 2.172646
263.8395 2.368805
264.3216 2.337708
264.8037 1.959167
265.2858 0.7864760
265.7679 0.1952360
266.2501 0.7289510
266.7322 1.373924
267.2143 1.411247
267.6964 0.7328410
268.1785 0.2745130
268.6606 1.151390
269.1428 2.034470
269.6249 2.355980
270.1070 1.554779
270.5891 0.7422560
271.0712 0.7236330
271.5533 1.485886
272.0355 2.348366
272.5176 2.508369
272.9997 1.673965
273.4818 1.409073
273.9639 2.266106
274.4460 3.096313
274.9282 3.231064
275.4103 2.730423
275.8924 2.093521
276.3745 1.780937
276.8566 1.847206
277.3387 1.701561
277.8208 1.142990
278.3029 0.6150510
278.7851 0.3907780
279.2672 0.3778460
279.7493 0.2745590
280.2314 0.1520540
280.7135 0.8894810
281.1956 1.593491
281.6778 2.482880
282.1599 3.127274
282.6420 3.196449
283.1241 2.903442
283.6062 2.660156
284.0883 2.675301
284.5705 2.981476
285.0526 3.802376
285.5347 6.021744
286.0168 7.663452
286.4989 7.789322
286.9810 7.092262
287.4632 6.753181
287.9453 7.335991
288.4274 8.557587
288.9095 9.650375
289.3916 10.66297
289.8737 11.48677
290.3559 11.86049
290.8380 12.10059
291.3201 12.68915
291.8022 13.80787
292.2843 15.14521
292.7664 16.13103
293.2486 16.51801
293.7307 17.14020
294.2128 18.27318
294.6949 19.59056
295.1770 20.78645
295.6591 21.79167
296.1413 22.59037
296.6234 23.08247
297.1055 23.09669
297.5876 23.58060
298.0697 24.92361
298.5518 26.52628
299.0340 27.86422
299.5161 28.87761
299.9982 29.86720
300.4803 31.14266
300.9624 32.73872
301.4445 34.09595
301.9267 35.26649
302.4088 36.15517
302.8909 36.41872
303.3730 36.20003
303.8551 36.33436
304.3372 37.48059
304.8194 39.54164
305.3015 41.39853
305.7836 43.18950
306.2657 44.67871
306.7478 45.53363
307.2299 45.95689
307.7121 46.54344
308.1942 47.60216
308.6763 49.03999
309.1584 50.55118
309.6405 52.41040
310.1227 53.93364
310.6048 54.61444
311.0869 54.83780
311.5690 55.34048
312.0511 56.41996
312.5332 57.80355
313.0154 58.95311
313.4975 59.81334
313.9796 60.67311
314.4617 61.55019
314.9438 62.47078
315.4259 63.43222
315.9081 64.42409
316.3902 65.59163
316.8723 67.22905
317.3544 69.47184
317.8365 71.30542
318.3186 72.31458
318.8007 73.09002
319.2828 74.22147
319.7650 75.75520
320.2471 77.23763
320.7292 78.24715
321.2113 78.76453
321.6934 79.43685
322.1755 80.28947
322.6577 81.27058
323.1398 82.39304
323.6219 83.61342
324.1040 84.85043
324.5861 85.96449
325.0682 87.05035
325.5504 88.52083
326.0325 90.59626
326.5146 92.65753
326.9967 94.48466
327.4788 96.17397
327.9609 98.01595
328.4431 100.1636
328.9252 102.3027
329.4073 103.6878
329.8894 103.9983
330.3715 104.3914
330.8536 105.0964
331.3358 106.0273
331.8179 107.0433
332.3000 108.1230
332.7821 109.3754
333.2642 110.9772
333.7463 113.0569
334.2285 115.0486
334.7106 116.8065
335.1927 118.5221
335.6748 120.4012
336.1569 122.4332
336.6390 124.4718
337.1212 126.4158
337.6033 128.2686
338.0854 129.7926
338.5675 130.7382
339.0496 131.6156
339.5317 132.7245
340.0139 133.9879
340.4960 135.0846
340.9781 135.7673
341.4602 136.1973
341.9423 137.2129
342.4244 139.2517
342.9066 141.2503
343.3887 142.9980
343.8708 144.5761
344.3529 146.1441
344.8350 147.7621
345.3171 149.2648
345.7993 150.3249
346.2814 150.6738
346.7635 150.9881
347.2456 151.0992
347.7277 151.2960
348.2098 151.8801
348.6920 152.8546
349.1741 153.9400
349.6562 154.8248
350.1383 155.4681
350.6204 156.1091
351.1025 156.6119
351.5847 157.2481
352.0668 158.3731
352.5489 159.7714
353.0310 160.8800
353.5131 161.2937
353.9952 161.0522
354.4774 160.5175
354.9595 159.1072
355.4416 158.0727
355.9237 158.2244
356.4058 158.7584
356.8879 158.4475
357.3701 156.7258
357.8522 154.2040
358.3343 152.2354
358.8164 151.7139
359.2985 150.3345
359.7806 147.3822
360.2627 144.0744
360.7448 141.4205
361.2270 139.5573
361.7091 137.9175
362.1912 135.8147
362.6733 133.1434
363.1554 130.4622
363.6375 127.5830
364.1197 124.8779
364.6018 122.7484
365.0839 120.9295
365.5660 118.8286
366.0481 115.9765
366.5302 112.4765
367.0124 109.1210
367.4945 105.9191
367.9766 102.8771
368.4587 99.94245
368.9408 97.19024
369.4229 94.82858
369.9051 92.96217
370.3872 91.18335
370.8693 88.58938
371.3514 84.65530
371.8335 81.28035
372.3156 78.86774
372.7978 76.89884
373.2799 75.26464
373.7620 73.84920
374.2441 72.23009
374.7262 69.87694
375.2083 66.75361
375.6905 63.83499
376.1726 61.11513
376.6547 58.63356
377.1368 56.41991
377.6189 54.43348
378.1010 52.65965
378.5832 51.21556
379.0653 49.86435
379.5474 47.84355
380.0295 44.79123
380.5116 42.02870
380.9937 40.19509
381.4759 38.81334
381.9580 37.48820
382.4401 36.13065
382.9222 34.77084
383.4043 33.61732
383.8864 32.66194
384.3686 31.04883
384.8507 27.92947
385.3328 24.80807
385.8149 23.02557
386.2970 22.47923
386.7791 22.05740
387.2613 21.09875
387.7434 19.84621
388.2255 18.98229
388.7076 18.73007
389.1897 18.25641
389.6718 16.60839
390.1540 14.33040
390.6361 12.53527
391.1182 11.69920
391.6003 11.17256
392.0824 10.37035
392.5645 9.314148
393.0467 8.276695
393.5288 7.363960
394.0109 6.573463
394.4930 5.863449
394.9751 5.220505
395.4572 4.715446
395.9394 4.458542
396.4215 4.342186
396.9036 4.177948
397.3857 3.902115
397.8678 3.625519
398.3499 3.563606
398.8321 3.752792
399.3142 3.553207
399.7963 2.510750
400.2784 1.406662
400.7605 0.7530060
401.2426 0.5035930
401.7247 0.3964160
402.2068 0.3039090
402.6890 0.2377470
403.1711 0.1913680
403.6532 0.3110050
404.1353 0.2547150
404.6174 0.2106550
405.0995 0.7965390
405.5817 1.151260
406.0638 1.171646
406.5459 0.9895550
407.0280 0.7645110
407.5101 0.4359130
407.9922 0.2685470
408.4744 0.3909450
408.9565 0.5355990
409.4386 0.5495990
409.9207 0.4530330
410.4028 0.3530880
410.8849 0.3298340
411.3671 0.3691790
411.8492 0.3638000
412.3313 0.1568450
412.8134 0.1085050
413.2955 0.6107640
413.7776 1.133919
414.2598 0.9520190
414.7419 0.1294170
415.2240 1.409172
415.7061 1.731133
416.1882 0.7310710
416.6703 4.5929000E-02
417.1525 0.2212450
417.6346 0.1700740
418.1167 0.3991090
418.5988 1.301804
419.0809 2.015419
419.5630 2.097794
420.0452 1.717751
420.5273 1.585762
421.0094 1.751350
421.4915 2.075066
421.9736 2.682686
422.4557 3.331482
422.9379 3.688423
423.4200 3.613838
423.9021 3.530220
424.3842 4.011749
424.8663 5.025177
425.3484 5.734993
425.8306 5.861382
426.3127 5.757729
426.7948 5.708458
427.2769 5.713684
427.7590 5.782318
428.2411 5.935249
428.7233 6.146126
429.2054 6.339516
429.6875 6.502731
430.1696 6.828018
430.6517 7.589218
431.1339 8.549835
431.6160 9.036438
432.0981 8.907639
432.5802 8.525917
433.0623 7.787666
433.5444 6.957779
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