#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:07 +0300 (Thu, 24 May 2018) $
#$Revision: 899 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000377.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_1000377
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        R060423
_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            R060423.rod
_rod_data_source.block           3500000
_rod_database.code               1000377
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
113.9013 0.0000000E+00
114.3834 0.2060970
114.8655 0.2970620
115.3476 7.5726002E-02
115.8298 1.7829999E-02
116.3119 0.1616710
116.7940 0.3378030
117.2761 0.5482600
117.7582 0.6776810
118.2403 0.7268180
118.7225 0.6788940
119.2046 0.5600550
119.6867 0.4678460
120.1688 0.2717480
120.6509 0.2264370
121.1330 0.5195810
121.6152 1.071335
122.0973 1.550156
122.5794 1.677013
123.0615 1.425270
123.5436 1.274883
124.0257 1.394314
124.5079 1.475700
124.9900 1.444504
125.4721 1.374092
125.9542 1.288971
126.4363 1.154980
126.9184 1.041039
127.4006 1.031956
127.8827 1.153671
128.3648 1.410080
128.8469 1.577072
129.3290 1.555237
129.8111 1.407822
130.2932 1.201412
130.7754 0.9979290
131.2575 0.8728940
131.7396 0.8179360
132.2217 0.8713680
132.7038 0.7852250
133.1859 0.3009680
133.6681 3.1498000E-02
134.1502 0.1692430
134.6323 3.5519000E-02
135.1144 0.2930110
135.5965 0.7089960
136.0786 1.377602
136.5608 1.764263
137.0429 1.794109
137.5250 1.650303
138.0071 1.426434
138.4892 1.158184
138.9713 0.8676070
139.4535 0.6012040
139.9356 0.2206730
140.4177 6.9243997E-02
140.8998 0.3939400
141.3819 0.9074130
141.8640 1.204102
142.3462 1.089447
142.8283 0.6974950
143.3104 0.3929440
143.7925 0.1445160
144.2746 2.8599999E-04
144.7567 7.5840000E-03
145.2388 0.1472090
145.7210 0.3461380
146.2031 0.6428760
146.6852 0.9252360
147.1673 0.9872970
147.6494 0.7008320
148.1315 0.3698620
148.6137 0.3021470
149.0958 0.5332680
149.5779 0.7765010
150.0600 0.9471020
150.5421 1.040848
151.0242 1.035889
151.5064 0.9156380
151.9885 0.6955300
152.4706 0.4286990
152.9527 1.4168000E-02
153.4348 9.8067999E-02
153.9169 0.5859600
154.3991 1.315136
154.8812 2.029770
155.3633 2.586102
155.8454 2.887905
156.3275 3.180855
156.8096 3.347790
157.2918 3.455357
157.7739 3.586700
158.2560 3.760338
158.7381 3.927299
159.2202 4.023159
159.7023 4.039619
160.1845 4.092632
160.6666 4.235882
161.1487 4.510891
161.6308 4.775368
162.1129 5.119610
162.5950 5.399540
163.0772 5.440559
163.5593 5.201046
164.0414 5.196232
164.5235 5.655399
165.0056 6.156731
165.4877 6.354252
165.9698 6.229839
166.4520 6.096802
166.9341 6.269772
167.4162 6.756371
167.8983 7.319454
168.3804 8.144081
168.8625 8.953510
169.3447 9.255192
169.8268 8.840549
170.3089 8.492241
170.7910 9.218628
171.2731 10.74097
171.7552 12.16204
172.2374 12.81018
172.7195 13.01806
173.2016 13.80595
173.6837 15.64411
174.1658 17.53611
174.6479 18.96401
175.1301 19.91422
175.6122 20.32814
176.0943 20.01694
176.5764 19.00755
177.0585 17.94016
177.5406 16.82377
178.0228 15.66985
178.5049 14.49624
178.9870 13.29740
179.4691 12.06461
179.9512 10.76351
180.4333 9.364243
180.9155 8.026035
181.3976 6.554138
181.8797 5.294014
182.3618 4.435795
182.8439 3.982468
183.3260 3.825241
183.8082 3.896996
184.2903 4.465462
184.7724 4.524094
185.2545 3.750710
185.7366 2.817593
186.2187 2.126682
186.7009 1.761391
187.1830 1.567524
187.6651 1.322693
188.1472 0.9274440
188.6293 0.7092130
189.1114 0.7687420
189.5936 0.9414790
190.0757 1.177624
190.5578 1.451221
191.0399 1.571533
191.5220 1.141926
192.0041 0.2177090
192.4863 1.041782
192.9684 0.8218270
193.4505 0.1007390
193.9326 0.4822500
194.4147 0.7541430
194.8968 0.7830960
195.3790 0.5750730
195.8611 9.2685997E-02
196.3432 0.2654990
196.8253 0.2769930
197.3074 8.3793998E-02
197.7895 1.8062999E-02
198.2717 0.2189790
198.7538 0.4649540
199.2359 0.4823070
199.7180 0.2778240
200.2001 2.2324000E-02
200.6822 0.2480280
201.1644 0.5111390
201.6465 0.6491890
202.1286 0.5736810
202.6107 0.4342230
203.0928 0.3511310
203.5749 0.3272020
204.0571 0.3667410
204.5392 0.5558590
205.0213 0.8884960
205.5034 0.9941520
205.9855 0.6536100
206.4676 0.1804080
206.9497 0.3497430
207.4319 0.8927540
207.9140 1.234512
208.3961 1.040169
208.8782 0.1877710
209.3603 0.4215890
209.8424 0.4492230
210.3246 0.3909610
210.8067 0.4700390
211.2888 0.7176780
211.7709 1.028915
212.2530 1.222118
212.7351 1.174294
213.2173 1.368160
213.6994 2.053173
214.1815 2.772003
214.6636 3.243145
215.1457 3.447857
215.6278 3.592678
216.1100 3.952801
216.5921 4.642139
217.0742 5.274754
217.5563 5.779202
218.0384 6.292393
218.5205 6.936996
219.0027 7.712555
219.4848 8.506821
219.9669 9.161373
220.4490 9.615025
220.9311 10.06254
221.4132 10.32517
221.8954 10.69998
222.3775 11.52711
222.8596 12.82029
223.3417 14.16626
223.8238 15.00070
224.3059 14.98166
224.7881 15.40339
225.2702 16.76630
225.7523 18.26584
226.2344 19.13456
226.7165 19.24743
227.1986 19.14111
227.6807 19.46290
228.1629 20.29480
228.6450 21.20255
229.1271 22.28981
229.6092 23.40157
230.0913 24.30640
230.5734 24.95306
231.0556 25.59983
231.5377 26.58826
232.0198 27.86914
232.5019 28.87608
232.9840 29.35285
233.4661 29.61747
233.9483 30.07816
234.4304 30.82028
234.9125 31.57497
235.3946 31.90028
235.8767 31.92848
236.3588 32.35532
236.8410 33.55920
237.3231 35.20000
237.8052 36.93518
238.2873 38.89230
238.7694 40.43131
239.2515 40.91198
239.7337 40.59891
240.2158 39.90384
240.6979 39.16346
241.1800 38.07984
241.6621 35.94034
242.1442 32.38728
242.6264 28.69305
243.1085 25.60703
243.5906 22.92855
244.0727 20.37777
244.5548 17.79485
245.0369 15.29901
245.5191 13.15805
246.0012 11.43157
246.4833 9.934109
246.9654 8.623627
247.4475 7.462193
247.9296 6.390888
248.4117 5.330696
248.8939 4.396107
249.3760 3.895874
249.8581 4.029587
250.3402 4.035847
250.8223 3.622734
251.3044 3.076500
251.7866 2.640213
252.2687 2.394932
252.7508 2.314785
253.2329 2.381023
253.7150 2.700699
254.1971 2.901451
254.6793 2.875484
255.1614 2.756756
255.6435 2.656116
256.1256 2.606636
256.6077 2.558327
257.0898 2.407650
257.5720 2.056107
258.0541 1.846298
258.5362 1.850433
259.0183 1.972839
259.5004 2.167797
259.9825 2.410954
260.4647 2.639713
260.9468 2.691929
261.4289 2.275028
261.9110 2.293819
262.3931 3.068676
262.8752 4.066135
263.3574 4.860744
263.8395 5.347103
264.3216 5.704464
264.8037 6.229263
265.2858 7.035881
265.7679 7.797459
266.2501 8.586823
266.7322 9.374439
267.2143 10.12108
267.6964 10.77931
268.1785 11.28972
268.6606 11.52772
269.1428 11.22925
269.6249 11.37385
270.1070 12.59795
270.5891 13.68603
271.0712 13.82143
271.5533 12.98547
272.0355 11.74553
272.5176 10.70298
272.9997 9.902477
273.4818 9.147884
273.9639 8.465351
274.4460 7.797081
274.9282 7.116596
275.4103 6.422985
275.8924 5.723209
276.3745 5.009258
276.8566 4.260757
277.3387 3.706532
277.8208 3.462498
278.3029 3.251350
278.7851 2.896095
279.2672 2.457008
279.7493 2.154224
280.2314 2.180241
280.7135 2.516876
281.1956 2.582169
281.6778 2.351055
282.1599 1.941349
282.6420 1.222088
283.1241 0.3509220
283.6062 0.3453060
284.0883 0.6626550
284.5705 0.6610340
285.0526 0.6696010
285.5347 0.5721090
286.0168 0.6135710
286.4989 0.9494630
286.9810 1.450222
287.4632 1.956985
287.9453 2.424450
288.4274 2.745110
288.9095 2.569641
289.3916 1.432167
289.8737 0.5283890
290.3559 0.1078950
290.8380 9.0480000E-03
291.3201 7.5549997E-02
291.8022 0.2632900
292.2843 0.4710160
292.7664 0.5044900
293.2486 0.2767330
293.7307 8.2984999E-02
294.2128 5.6221001E-02
294.6949 0.1445690
295.1770 0.1193810
295.6591 3.0192999E-02
296.1413 0.1002810
296.6234 0.2064820
297.1055 1.028831
297.5876 1.684418
298.0697 2.030552
298.5518 2.276638
299.0340 2.581871
299.5161 2.968777
299.9982 3.411572
300.4803 3.890835
300.9624 4.411121
301.4445 4.950157
301.9267 5.703999
302.4088 6.315479
302.8909 6.386578
303.3730 6.005848
303.8551 5.778027
304.3372 6.170727
304.8194 7.114315
305.3015 7.856003
305.7836 8.232605
306.2657 8.595592
306.7478 9.096771
307.2299 9.718132
307.7121 10.42062
308.1942 11.21904
308.6763 12.04504
309.1584 12.63081
309.6405 12.73370
310.1227 13.00728
310.6048 13.72799
311.0869 14.75432
311.5690 15.83585
312.0511 16.88668
312.5332 17.91602
313.0154 18.93945
313.4975 19.99939
313.9796 20.94801
314.4617 21.51215
314.9438 22.03835
315.4259 23.01536
315.9081 24.56796
316.3902 26.41943
316.8723 28.34122
317.3544 30.40622
317.8365 32.02077
318.3186 33.17274
318.8007 33.83299
319.2828 33.79268
319.7650 33.07901
320.2471 32.27069
320.7292 31.92141
321.2113 32.02808
321.6934 31.69797
322.1755 30.73817
322.6577 29.52587
323.1398 28.21950
323.6219 26.84871
324.1040 25.43272
324.5861 23.95820
325.0682 22.46635
325.5504 21.21465
326.0325 20.00581
326.5146 19.19609
326.9967 19.15258
327.4788 19.58562
327.9609 19.85000
328.4431 19.62992
328.9252 19.21331
329.4073 19.32394
329.8894 20.24371
330.3715 20.99091
330.8536 21.28948
331.3358 21.35203
331.8179 21.41357
332.3000 21.53483
332.7821 21.72581
333.2642 22.02700
333.7463 22.50400
334.2285 22.83018
334.7106 22.69078
335.1927 22.60089
335.6748 23.09496
336.1569 24.16285
336.6390 25.26086
337.1212 25.89470
337.6033 26.03962
338.0854 26.31439
338.5675 26.64897
339.0496 27.16248
339.5317 27.94634
340.0139 28.96428
340.4960 30.08995
340.9781 31.23517
341.4602 32.43056
341.9423 33.90197
342.4244 36.11692
342.9066 38.02512
343.3887 38.99104
343.8708 39.63424
344.3529 40.82588
344.8350 42.89075
345.3171 45.58571
345.7993 48.47862
346.2814 51.84743
346.7635 54.97941
347.2456 57.47441
347.7277 60.00279
348.2098 63.14857
348.6920 66.96807
349.1741 71.14107
349.6562 75.20736
350.1383 79.00626
350.6204 83.72128
351.1025 89.92610
351.5847 96.36535
352.0668 102.2991
352.5489 107.8497
353.0310 113.6243
353.5131 120.0691
353.9952 127.0799
354.4774 133.7266
354.9595 139.6958
355.4416 145.6304
355.9237 151.6024
356.4058 157.6161
356.8879 163.8224
357.3701 170.2683
357.8522 176.6251
358.3343 182.2260
358.8164 186.9173
359.2985 191.0061
359.7806 194.3784
360.2627 197.2988
360.7448 199.7488
361.2270 201.8247
361.7091 203.8833
362.1912 206.3516
362.6733 209.2464
363.1554 212.6305
363.6375 216.7762
364.1197 221.0571
364.6018 224.9315
365.0839 228.7118
365.5660 233.1187
366.0481 238.7386
366.5302 245.4407
367.0124 252.2146
367.4945 259.6150
367.9766 266.3042
368.4587 272.5624
368.9408 277.7963
369.4229 281.3900
369.9051 283.0763
370.3872 282.9597
370.8693 281.2650
371.3514 278.1961
371.8335 272.8706
372.3156 264.5272
372.7978 254.5858
373.2799 243.6289
373.7620 231.8603
374.2441 219.1757
374.7262 204.9402
375.2083 189.0552
375.6905 174.7736
376.1726 162.6769
376.6547 151.6916
377.1368 141.6182
377.6189 132.1945
378.1010 122.9929
378.5832 113.5085
379.0653 104.2190
379.5474 96.45470
380.0295 90.60514
380.5116 85.28534
380.9937 79.89715
381.4759 74.80039
381.9580 70.47394
382.4401 67.10198
382.9222 64.06813
383.4043 60.65308
383.8864 56.85655
384.3686 53.46039
384.8507 50.69356
385.3328 48.35757
385.8149 46.24896
386.2970 44.37017
386.7791 42.64375
387.2613 41.10831
387.7434 39.70477
388.2255 38.28115
388.7076 36.82477
389.1897 35.37578
389.6718 33.92025
390.1540 32.49121
390.6361 31.15421
391.1182 29.81865
391.6003 28.68903
392.0824 28.03929
392.5645 27.82142
393.0467 27.65812
393.5288 27.46691
394.0109 27.16637
394.4930 26.60181
394.9751 25.72522
395.4572 24.81381
395.9394 23.69825
396.4215 22.69123
396.9036 22.54667
397.3857 23.50286
397.8678 24.49484
398.3499 24.32287
398.8321 22.89568
399.3142 21.71025
399.7963 20.91604
400.2784 20.29936
400.7605 19.88950
401.2426 19.57297
401.7247 18.90298
402.2068 17.53688
402.6890 15.68496
403.1711 14.32610
403.6532 13.98758
404.1353 13.40316
404.6174 12.12115
405.0995 10.56286
405.5817 9.248802
406.0638 8.336487
406.5459 7.640835
407.0280 6.914974
407.5101 6.159508
407.9922 5.384041
408.4744 4.438808
408.9565 3.611454
409.4386 3.178925
409.9207 3.020374
410.4028 2.727741
410.8849 1.960979
411.3671 0.8333850
411.8492 0.2000310
412.3313 0.6062470
412.8134 0.8528710
413.2955 0.6534040
413.7776 0.2753680
414.2598 3.2093000E-02
414.7419 2.0695001E-02
415.2240 7.7983998E-02
415.7061 5.7594001E-02
416.1882 0.4571460
416.6703 0.8059540
417.1525 1.199585
417.6346 1.439053
418.1167 1.272366
418.5988 0.8365480
419.0809 0.5597270
419.5630 0.8180920
420.0452 1.458015
420.5273 1.832909
421.0094 1.883644
421.4915 1.779621
421.9736 1.457138
422.4557 1.080925
422.9379 0.8390050
423.4200 0.7915460
423.9021 0.8249090
424.3842 0.8167040
424.8663 0.7704240
425.3484 0.7805020
425.8306 0.9081040
426.3127 1.044853
426.7948 1.154808
427.2769 1.219788
427.7590 1.099632
428.2411 0.5261920
428.7233 0.1824610
429.2054 0.5205730
429.6875 0.4547960
430.1696 0.2323800
430.6517 0.1139640
431.1339 0.4701350
431.6160 0.5226170
432.0981 6.1110999E-02
432.5802 0.3725590
433.0623 0.3937640
433.5444 0.2044030
434.0266 0.2559740
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