#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:03 +0300 (Thu, 24 May 2018) $
#$Revision: 898 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000376.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_1000376
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        R060358
_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            R060358.rod
_rod_data_source.block           3500000
_rod_database.code               1000376
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
95.09875 0.0000000E+00
95.58087 0.5893920
96.06299 0.9293980
96.54510 0.6738870
97.02721 0.5530910
97.50933 0.7439170
97.99145 1.048180
98.47356 1.417046
98.95568 1.911118
99.43780 1.553049
99.91991 1.206604
100.4020 1.039181
100.8841 0.8836380
101.3663 0.5561140
101.8484 0.1084790
102.3305 0.1880800
102.8126 5.0709002E-02
103.2947 0.5668700
103.7768 1.067255
104.2590 1.483637
104.7411 1.849319
105.2232 2.129543
105.7053 2.313686
106.1874 2.473192
106.6695 2.660959
107.1517 2.801674
107.6338 2.849920
108.1159 2.865519
108.5980 2.598425
109.0801 2.245752
109.5622 1.697495
110.0444 1.237572
110.5265 1.209330
111.0086 1.601635
111.4907 2.020660
111.9728 2.057581
112.4549 1.585707
112.9371 1.123575
113.4192 0.7069660
113.9013 0.3737960
114.3834 0.2209150
114.8655 0.2078420
115.3476 0.2518420
115.8298 0.2477720
116.3119 0.1239590
116.7940 2.6232000E-02
117.2761 5.8566999E-02
117.7582 0.1001970
118.2403 5.6719001E-02
118.7225 0.1226370
119.2046 0.4295220
119.6867 0.5086650
120.1688 6.8428002E-02
120.6509 0.2750570
121.1330 0.2145900
121.6152 0.1404210
122.0973 0.5093360
122.5794 0.6712840
123.0615 0.6242690
123.5436 0.6233330
124.0257 0.7746830
124.5079 0.9136770
124.9900 0.8208600
125.4721 0.4374080
125.9542 8.4431000E-02
126.4363 0.1522710
126.9184 0.4926300
127.4006 0.7797410
127.8827 0.8403640
128.3648 0.7477300
128.8469 0.7345710
129.3290 0.8873710
129.8111 1.024124
130.2932 1.029165
130.7754 0.9246580
131.2575 0.7922230
131.7396 0.7142240
132.2217 0.7055800
132.7038 0.6166130
133.1859 0.1879370
133.6681 0.1279620
134.1502 2.7147001E-02
134.6323 0.4683400
135.1144 1.043797
135.5965 1.266571
136.0786 0.9001430
136.5608 0.6412620
137.0429 0.5132200
137.5250 0.4552760
138.0071 0.4406970
138.4892 0.4563410
138.9713 0.4819790
139.4535 0.4743420
139.9356 0.3727760
140.4177 0.3342020
140.8998 0.4469780
141.3819 0.6093520
141.8640 0.6688310
142.3462 0.5372430
142.8283 0.2921820
143.3104 0.1775060
143.7925 0.2236460
144.2746 0.3290570
144.7567 0.5089190
145.2388 0.7308370
145.7210 0.8451120
146.2031 0.6791400
146.6852 0.4606180
147.1673 0.5838420
147.6494 1.181205
148.1315 1.921035
148.6137 2.395834
149.0958 2.499632
149.5779 2.754842
150.0600 3.412251
150.5421 4.265855
151.0242 5.239808
151.5064 6.351149
151.9885 7.479731
152.4706 8.362835
152.9527 9.029025
153.4348 9.538339
153.9169 9.986983
154.3991 10.32977
154.8812 10.49249
155.3633 10.40915
155.8454 10.12899
156.3275 9.936448
156.8096 9.781480
157.2918 9.792735
157.7739 10.04105
158.2560 10.47155
158.7381 10.98244
159.2202 11.49030
159.7023 11.98664
160.1845 12.66203
160.6666 13.89778
161.1487 14.97748
161.6308 15.46283
162.1129 15.48328
162.5950 15.52186
163.0772 15.99477
163.5593 16.96644
164.0414 18.03900
164.5235 19.16816
165.0056 20.41331
165.4877 21.82232
165.9698 23.39838
166.4520 25.05108
166.9341 26.50274
167.4162 27.78040
167.8983 30.05795
168.3804 33.18367
168.8625 37.50504
169.3447 43.42548
169.8268 50.99572
170.3089 60.14780
170.7910 71.85847
171.2731 85.38935
171.7552 98.15927
172.2374 111.9308
172.7195 124.3544
173.2016 128.3156
173.6837 120.8436
174.1658 107.2678
174.6479 89.93026
175.1301 69.98077
175.6122 51.70819
176.0943 38.29090
176.5764 29.56899
177.0585 22.54493
177.5406 17.84521
178.0228 14.29489
178.5049 11.53662
178.9870 9.470692
179.4691 7.931341
179.9512 6.814297
180.4333 6.200300
180.9155 5.627439
181.3976 5.090353
181.8797 4.598339
182.3618 4.174624
182.8439 3.809685
183.3260 3.465590
183.8082 3.083701
184.2903 2.597818
184.7724 2.281786
185.2545 2.215017
185.7366 2.218043
186.2187 2.217689
186.7009 2.183735
187.1830 2.081902
187.6651 1.850669
188.1472 1.363794
188.6293 1.012391
189.1114 0.8487800
189.5936 0.7857000
190.0757 0.7774210
190.5578 0.8075180
191.0399 0.8299410
191.5220 0.7642560
192.0041 0.5751570
192.4863 0.4363500
192.9684 0.3811860
193.4505 0.3774890
193.9326 0.3969580
194.4147 0.4405100
194.8968 0.4764820
195.3790 0.4417670
195.8611 0.3366010
196.3432 0.2083940
196.8253 3.6915001E-02
197.3074 0.1453750
197.7895 0.2737970
198.2717 0.3295160
198.7538 0.3217520
199.2359 0.2386670
199.7180 7.5939000E-02
200.2001 3.5619002E-02
200.6822 2.8192000E-02
201.1644 0.2220510
201.6465 0.3147290
202.1286 0.1820910
202.6107 1.1353000E-02
203.0928 3.1740000E-03
203.5749 0.1376330
204.0571 0.2709680
204.5392 0.2483010
205.0213 6.9262996E-02
205.5034 7.6146998E-02
205.9855 0.1095390
206.4676 0.1340470
206.9497 0.2099970
207.4319 0.3406100
207.9140 0.4967190
208.3961 0.6525510
208.8782 0.8105750
209.3603 0.9531000
209.8424 1.062908
210.3246 1.168139
210.8067 1.239553
211.2888 1.323483
211.7709 1.500420
212.2530 1.867244
212.7351 2.427291
213.2173 3.111642
213.6994 3.946862
214.1815 4.891645
214.6636 5.997465
215.1457 7.220678
215.6278 8.416704
216.1100 9.424706
216.5921 10.26358
217.0742 10.82601
217.5563 10.97809
218.0384 11.03144
218.5205 11.14537
219.0027 11.35495
219.4848 11.62669
219.9669 11.90438
220.4490 12.08882
220.9311 12.54049
221.4132 13.44118
221.8954 14.46008
222.3775 15.36464
222.8596 16.11411
223.3417 16.80714
223.8238 17.54622
224.3059 18.30074
224.7881 19.19920
225.2702 20.18799
225.7523 21.36842
226.2344 22.85864
226.7165 24.67469
227.1986 26.66264
227.6807 28.65457
228.1629 30.64400
228.6450 32.63939
229.1271 34.35407
229.6092 36.21664
230.0913 38.51496
230.5734 41.28223
231.0556 44.73793
231.5377 48.89669
232.0198 53.73383
232.5019 60.57341
232.9840 70.92897
233.4661 82.84498
233.9483 95.04256
234.4304 107.8630
234.9125 117.8285
235.3946 121.1192
235.8767 118.6303
236.3588 111.8713
236.8410 98.67110
237.3231 82.26170
237.8052 66.85551
238.2873 52.41008
238.7694 39.96851
239.2515 30.81076
239.7337 24.20251
240.2158 19.01759
240.6979 15.29885
241.1800 12.66503
241.6621 10.49065
242.1442 8.800611
242.6264 7.470943
243.1085 6.488895
243.5906 5.778942
244.0727 5.276533
244.5548 5.076303
245.0369 5.017361
245.5191 4.711973
246.0012 4.017090
246.4833 3.414063
246.9654 3.218664
247.4475 3.229589
247.9296 3.190453
248.4117 2.994432
248.8939 2.682177
249.3760 2.311522
249.8581 1.799723
250.3402 1.410341
250.8223 1.298700
251.3044 1.321844
251.7866 1.320938
252.2687 1.221024
252.7508 1.082090
253.2329 1.034859
253.7150 1.084545
254.1971 1.220263
254.6793 1.502638
255.1614 1.814932
255.6435 2.039747
256.1256 2.127666
256.6077 2.160910
257.0898 2.307331
257.5720 2.590231
258.0541 2.964636
258.5362 3.184313
259.0183 3.570015
259.5004 4.417084
259.9825 5.836227
260.4647 7.711807
260.9468 9.822309
261.4289 12.15882
261.9110 14.75967
262.3931 18.17876
262.8752 21.52355
263.3574 24.37923
263.8395 26.53862
264.3216 27.60234
264.8037 26.85501
265.2858 23.53989
265.7679 19.75939
266.2501 14.87985
266.7322 10.09993
267.2143 6.147474
267.6964 3.204308
268.1785 1.113060
268.6606 0.2680070
269.1428 0.6910000
269.6249 0.9761920
270.1070 1.005203
270.5891 1.015850
271.0712 1.179991
271.5533 1.495501
272.0355 1.822660
272.5176 2.003185
272.9997 1.996723
273.4818 2.009333
273.9639 2.014193
274.4460 2.056437
274.9282 2.198874
275.4103 2.414789
275.8924 2.609365
276.3745 2.700859
276.8566 2.686644
277.3387 2.577654
277.8208 2.311129
278.3029 2.033442
278.7851 1.790289
279.2672 1.586521
279.7493 1.428007
280.2314 1.330328
280.7135 1.288763
281.1956 1.134510
281.6778 0.7373750
282.1599 0.3864800
282.6420 0.2587200
283.1241 0.2545380
283.6062 0.1413710
284.0883 0.2289240
284.5705 0.8085590
285.0526 1.300209
285.5347 1.668659
286.0168 2.009188
286.4989 2.175697
286.9810 2.351759
287.4632 2.904633
287.9453 4.042568
288.4274 5.523647
288.9095 6.660229
289.3916 6.954329
289.8737 7.653713
290.3559 9.090639
290.8380 10.99845
291.3201 13.01451
291.8022 15.01314
292.2843 17.08949
292.7664 19.53498
293.2486 22.78980
293.7307 25.31232
294.2128 26.63428
294.6949 27.29767
295.1770 27.90332
295.6591 28.59438
296.1413 29.07412
296.6234 28.93618
297.1055 28.01873
297.5876 27.01602
298.0697 25.92487
298.5518 24.77320
299.0340 23.48010
299.5161 22.07108
299.9982 20.82117
300.4803 19.97342
300.9624 19.58180
301.4445 19.48090
301.9267 19.58978
302.4088 20.04205
302.8909 21.01429
303.3730 22.46107
303.8551 24.08852
304.3372 25.65957
304.8194 27.24533
305.3015 29.33870
305.7836 31.76642
306.2657 34.80980
306.7478 38.67154
307.2299 43.27106
307.7121 48.36902
308.1942 53.83348
308.6763 59.72436
309.1584 66.25631
309.6405 74.24675
310.1227 81.54590
310.6048 88.23724
311.0869 93.68513
311.5690 96.58286
312.0511 96.41637
312.5332 93.56645
313.0154 88.25296
313.4975 79.90041
313.9796 71.37376
314.4617 62.54668
314.9438 54.11011
315.4259 46.83530
315.9081 40.92965
316.3902 36.24808
316.8723 32.71796
317.3544 30.43852
317.8365 28.86960
318.3186 28.04549
318.8007 27.87184
319.2828 28.26403
319.7650 29.21524
320.2471 30.78121
320.7292 33.09015
321.2113 36.18174
321.6934 39.41357
322.1755 43.06828
322.6577 46.63089
323.1398 50.05020
323.6219 53.17838
324.1040 55.58665
324.5861 57.05723
325.0682 57.51983
325.5504 56.75477
326.0325 53.53476
326.5146 50.61988
326.9967 48.80680
327.4788 48.01977
327.9609 48.07943
328.4431 48.90800
328.9252 50.54083
329.4073 53.15982
329.8894 56.67139
330.3715 61.13028
330.8536 66.93303
331.3358 73.55177
331.8179 80.46285
332.3000 87.53125
332.7821 94.56554
333.2642 101.4747
333.7463 108.4566
334.2285 114.2684
334.7106 118.0896
335.1927 121.2346
335.6748 124.5077
336.1569 128.0643
336.6390 132.1165
337.1212 136.8009
337.6033 142.1748
338.0854 148.2134
338.5675 154.8174
339.0496 162.1415
339.5317 170.2659
340.0139 179.2011
340.4960 188.8936
340.9781 199.3289
341.4602 210.4726
341.9423 222.1283
342.4244 233.0902
342.9066 245.8464
343.3887 260.3579
343.8708 277.1376
344.3529 296.6717
344.8350 319.0453
345.3171 344.5515
345.7993 373.5906
346.2814 405.5393
346.7635 443.2848
347.2456 488.1371
347.7277 537.7581
348.2098 591.7043
348.6920 648.9025
349.1741 707.4304
349.6562 765.5648
350.1383 825.9940
350.6204 871.1596
351.1025 906.8107
351.5847 925.0120
352.0668 919.0559
352.5489 891.5504
353.0310 848.4656
353.5131 792.7220
353.9952 725.9535
354.4774 663.8134
354.9595 603.7279
355.4416 551.3347
355.9237 507.8730
356.4058 472.8464
356.8879 445.8146
357.3701 426.6958
357.8522 414.3836
358.3343 406.1866
358.8164 402.6290
359.2985 403.1290
359.7806 408.1429
360.2627 416.4651
360.7448 426.8643
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361.7091 454.7906
362.1912 474.2699
362.6733 497.3209
363.1554 526.7314
363.6375 563.1279
364.1197 604.6573
364.6018 650.2570
365.0839 700.6074
365.5660 756.9708
366.0481 821.0455
366.5302 891.7765
367.0124 961.5101
367.4945 1037.688
367.9766 1102.063
368.4587 1156.269
368.9408 1195.316
369.4229 1213.909
369.9051 1209.802
370.3872 1184.574
370.8693 1138.974
371.3514 1067.594
371.8335 988.9429
372.3156 897.1388
372.7978 805.1218
373.2799 717.8724
373.7620 637.5810
374.2441 565.2062
374.7262 502.6173
375.2083 450.0367
375.6905 403.9615
376.1726 365.7839
376.6547 333.3116
377.1368 305.8571
377.6189 282.9043
378.1010 263.9176
378.5832 248.7927
379.0653 237.1289
379.5474 228.0552
380.0295 222.1908
380.5116 217.3389
380.9937 214.0317
381.4759 210.6617
381.9580 205.9102
382.4401 199.5700
382.9222 191.0649
383.4043 179.2811
383.8864 164.2248
384.3686 148.5908
384.8507 131.9855
385.3328 116.0523
385.8149 101.6353
386.2970 88.85635
386.7791 77.82051
387.2613 69.12060
387.7434 62.26550
388.2255 56.06593
388.7076 50.44751
389.1897 45.56526
389.6718 41.79356
390.1540 38.82170
390.6361 36.11787
391.1182 33.64688
391.6003 31.33770
392.0824 29.06219
392.5645 26.84191
393.0467 24.99046
393.5288 23.77076
394.0109 22.86543
394.4930 21.65664
394.9751 20.05931
395.4572 18.52298
395.9394 17.28435
396.4215 16.20603
396.9036 15.03436
397.3857 13.68884
397.8678 12.41506
398.3499 11.49165
398.8321 10.94700
399.3142 10.36346
399.7963 9.644850
400.2784 8.938538
400.7605 8.323780
401.2426 7.807173
401.7247 7.394032
402.2068 7.102165
402.6890 6.914562
403.1711 6.751167
403.6532 6.770447
404.1353 6.606056
404.6174 6.061363
405.0995 5.347469
405.5817 4.708614
406.0638 4.222082
406.5459 3.837215
407.0280 3.478973
407.5101 3.114420
407.9922 2.912693
408.4744 3.076225
408.9565 3.189396
409.4386 3.006351
409.9207 2.563446
410.4028 2.023312
410.8849 1.473900
411.3671 0.9362930
411.8492 0.5541520
412.3313 0.4604590
412.8134 0.3689170
413.2955 0.1908530
413.7776 1.8702000E-02
414.2598 2.9960000E-03
414.7419 0.1615540
415.2240 0.3439730
415.7061 0.2631150
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