#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:49 +0300 (Thu, 24 May 2018) $
#$Revision: 909 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000386.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_1000386
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        R100138
_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            R100138.rod
_rod_data_source.block           3500000
_rod_database.code               1000386
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
90.60547 0.0000000E+00
91.08759 5.310974
91.56970 9.917648
92.05182 11.09136
92.53394 10.24427
93.01605 8.763672
93.49817 7.186844
93.98029 5.549477
94.46240 4.194359
94.94452 3.435394
95.42664 3.401146
95.90874 3.732777
96.39086 4.476147
96.87298 5.009731
97.35509 5.304867
97.83721 5.820137
98.31933 5.457241
98.80145 3.527874
99.28356 1.529934
99.76568 0.5883450
100.2478 0.2100790
100.7299 0.4464990
101.2120 1.119076
101.6941 0.9970360
102.1763 1.259418
102.6584 2.338409
103.1405 3.453098
103.6226 4.085606
104.1047 3.797482
104.5868 2.780148
105.0690 2.195217
105.5511 2.348335
106.0332 2.486603
106.5153 2.235115
106.9974 1.601189
107.4795 0.9092030
107.9617 0.2927440
108.4438 0.2100140
108.9259 0.4386900
109.4080 0.1389060
109.8901 0.3076690
110.3722 0.3231620
110.8544 0.2625010
111.3365 0.8085350
111.8186 0.8638710
112.3007 0.6258950
112.7828 0.3303340
113.2649 0.3096030
113.7471 0.5784420
114.2292 0.5765720
114.7113 2.9496999E-02
115.1934 0.5542340
115.6755 1.041317
116.1576 1.413618
116.6397 1.702030
117.1219 1.914034
117.6040 1.839743
118.0861 1.756701
118.5682 1.597620
119.0503 1.508703
119.5324 1.666870
120.0146 2.066582
120.4967 2.462599
120.9788 2.568268
121.4609 2.128706
121.9430 1.811102
122.4251 1.662500
122.9073 1.610029
123.3894 1.574362
123.8715 1.503548
124.3536 1.440964
124.8357 1.537680
125.3178 1.901955
125.8000 2.165525
126.2821 2.089485
126.7642 1.765907
127.2463 1.551462
127.7284 1.656780
128.2105 1.940739
128.6927 2.135872
129.1748 2.239391
129.6569 2.243910
130.1390 2.108229
130.6211 1.808905
131.1032 1.512733
131.5854 1.214355
132.0675 0.9849190
132.5496 0.9554000
133.0317 1.256317
133.5138 1.671810
133.9959 1.628592
134.4781 0.6833230
134.9602 1.1356000E-02
135.4423 3.6400001E-02
135.9244 0.3225770
136.4065 0.6968400
136.8886 0.8614120
137.3708 0.8323780
137.8529 0.8256630
138.3350 0.8544810
138.8171 0.8978500
139.2992 0.9811360
139.7813 1.077337
140.2635 1.141827
140.7456 1.140985
141.2277 1.079329
141.7098 0.8727720
142.1919 0.3374200
142.6740 0.1604980
143.1561 0.4197900
143.6383 0.4318830
144.1204 0.3277510
144.6025 0.2358150
145.0846 0.1644290
145.5667 2.4939001E-02
146.0488 0.6062090
146.5310 1.237320
147.0131 1.406090
147.4952 1.010157
147.9773 0.4421650
148.4594 0.1761380
148.9415 3.3420999E-02
149.4237 3.7941001E-02
149.9058 0.6414110
150.3879 1.604246
150.8700 2.422697
151.3521 3.018087
151.8342 3.431938
152.3164 3.673008
152.7985 3.763472
153.2806 3.875170
153.7627 4.193546
154.2448 4.725754
154.7269 5.112936
155.2091 5.084827
155.6912 5.068027
156.1733 5.298004
156.6554 5.781176
157.1375 6.352180
157.6196 6.801880
158.1018 7.055988
158.5839 7.442347
159.0660 8.079676
159.5481 8.758553
160.0302 9.298552
160.5123 9.687654
160.9945 10.10699
161.4766 10.86777
161.9587 12.22286
162.4408 13.57862
162.9229 14.73975
163.4050 15.99025
163.8871 17.50055
164.3693 19.34037
164.8514 21.58201
165.3335 24.43801
165.8156 27.66037
166.2977 31.80598
166.7798 36.93469
167.2620 43.09514
167.7441 50.17383
168.2262 57.99358
168.7083 66.90746
169.1904 77.86568
169.6725 90.11894
170.1547 104.9211
170.6368 123.6068
171.1189 145.4220
171.6010 168.8941
172.0831 196.9335
172.5652 222.7500
173.0474 236.2034
173.5295 236.8373
174.0116 226.2430
174.4937 200.9841
174.9758 161.0577
175.4579 123.2596
175.9401 94.16630
176.4222 71.63680
176.9043 54.02071
177.3864 41.48698
177.8685 32.56660
178.3506 25.68903
178.8328 21.14024
179.3149 17.65041
179.7970 15.14952
180.2791 13.27136
180.7612 11.85053
181.2433 10.85995
181.7255 10.13314
182.2076 9.308601
182.6897 8.307520
183.1718 7.358935
183.6539 6.398130
184.1360 5.539207
184.6181 4.937969
185.1003 4.681217
185.5824 4.671177
186.0645 4.555055
186.5466 4.217029
187.0287 3.901463
187.5108 3.650273
187.9930 3.437482
188.4751 3.222962
188.9572 2.983747
189.4393 2.731731
189.9214 2.538847
190.4035 2.487833
190.8857 2.410895
191.3678 2.252008
191.8499 2.045320
192.3320 1.857294
192.8141 1.736979
193.2962 1.674577
193.7784 1.537570
194.2605 1.261677
194.7426 0.9951660
195.2247 0.7544960
195.7068 0.5555600
196.1889 0.4471930
196.6711 0.4813980
197.1532 0.6260680
197.6353 0.6974810
198.1174 0.6492420
198.5995 0.5781350
199.0816 0.5568120
199.5638 0.5707570
200.0459 0.5220050
200.5280 0.3146380
201.0101 7.7799999E-04
201.4922 0.2423670
201.9743 0.4248980
202.4565 0.4988760
202.9386 0.3382420
203.4207 6.9932997E-02
203.9028 0.3694860
204.3849 0.2723880
204.8670 3.1643000E-02
205.3492 0.2856290
205.8313 0.4717010
206.3134 0.5589770
206.7955 0.4553550
207.2776 9.7166002E-02
207.7597 0.1990070
208.2419 0.1892970
208.7240 7.4960999E-02
209.2061 5.5055998E-02
209.6882 0.2125490
210.1703 0.4488260
210.6524 0.5951270
211.1346 0.6245160
211.6167 0.6283320
212.0988 0.6337760
212.5809 0.6320570
213.0630 0.5861190
213.5451 0.4662630
214.0273 0.3600500
214.5094 0.5032840
214.9915 1.087189
215.4736 1.615639
215.9557 1.902121
216.4378 2.126036
216.9200 2.473307
217.4021 3.028641
217.8842 3.737734
218.3663 4.419012
218.8484 4.996721
219.3305 5.628136
219.8127 6.318048
220.2948 7.074556
220.7769 7.890291
221.2590 8.758842
221.7411 9.701838
222.2232 10.79914
222.7054 12.08664
223.1875 13.52241
223.6696 14.95889
224.1517 16.60523
224.6338 18.64179
225.1159 21.14100
225.5980 24.10416
226.0802 27.60920
226.5623 31.42899
227.0444 36.11588
227.5265 41.81033
228.0086 48.36974
228.4907 55.63657
228.9729 63.56690
229.4550 72.02824
229.9371 80.54488
230.4192 87.95869
230.9013 97.16681
231.3834 107.8458
231.8656 120.7431
232.3477 136.7369
232.8298 156.0515
233.3119 179.0122
233.7940 208.0669
234.2761 246.3742
234.7583 281.5709
235.2404 319.2234
235.7225 350.4510
236.2046 358.3639
236.6867 335.1554
237.1688 291.9381
237.6510 242.9588
238.1331 186.0206
238.6152 136.3603
239.0973 99.95823
239.5794 74.34558
240.0615 55.19052
240.5437 42.23178
241.0258 33.56694
241.5079 27.14595
241.9900 22.82359
242.4721 19.30577
242.9542 16.09507
243.4364 13.29806
243.9185 11.28397
244.4006 10.35122
244.8827 9.822720
245.3648 9.008219
245.8469 7.950657
246.3290 6.969212
246.8112 6.290682
247.2933 5.817520
247.7754 5.215866
248.2575 4.362677
248.7396 3.521534
249.2217 2.838259
249.7039 2.311872
250.1860 1.974106
250.6681 1.958506
251.1502 2.166519
251.6323 2.209221
252.1144 1.954819
252.5966 1.721853
253.0787 1.689047
253.5608 1.813351
254.0429 1.998045
254.5250 2.117050
255.0071 2.249353
255.4893 2.731998
255.9714 3.718929
256.4535 4.831171
256.9356 5.798012
257.4177 6.760029
257.8998 7.923111
258.3820 9.298882
258.8641 10.99239
259.3462 13.37374
259.8283 16.47686
260.3104 20.34024
260.7925 24.75811
261.2747 29.89605
261.7568 35.96468
262.2389 43.18248
262.7210 51.26530
263.2031 60.02360
263.6852 72.35427
264.1674 79.98046
264.6495 81.40700
265.1316 77.90897
265.6137 69.83382
266.0958 57.11775
266.5779 41.99895
267.0601 29.71681
267.5422 20.97053
268.0243 14.26721
268.5064 9.596422
268.9885 6.324148
269.4706 4.133129
269.9528 2.875557
270.4349 2.219461
270.9170 1.548635
271.3991 0.8040220
271.8812 0.1769810
272.3633 0.3065340
272.8455 0.6961990
273.3276 1.009796
273.8097 1.261703
274.2918 1.481672
274.7739 1.723618
275.2560 2.050917
275.7382 2.258348
276.2202 2.297026
276.7024 2.280783
277.1845 2.278433
277.6666 2.300207
278.1487 2.314945
278.6308 2.279850
279.1129 2.170429
279.5951 2.097309
280.0772 2.042540
280.5593 2.030701
281.0414 2.136667
281.5235 2.319757
282.0056 2.436037
282.4878 2.338013
282.9699 1.990597
283.4520 1.665632
283.9341 1.401655
284.4162 1.117577
284.8983 0.7573660
285.3805 0.3450660
285.8626 4.5844998E-02
286.3447 0.3515450
286.8268 0.5734200
287.3089 0.8906940
287.7910 1.298634
288.2732 1.795076
288.7553 2.419296
289.2374 3.129160
289.7195 3.805799
290.2016 4.356974
290.6837 4.857716
291.1659 5.773355
291.6480 7.529007
292.1301 9.191765
292.6122 10.45256
293.0943 11.56997
293.5764 12.98009
294.0586 14.90282
294.5407 17.07115
295.0228 18.76944
295.5049 19.95974
295.9870 20.67362
296.4691 20.76242
296.9513 20.43819
297.4334 19.83491
297.9155 19.01229
298.3976 18.11694
298.8797 17.38139
299.3618 16.74333
299.8440 16.45342
300.3261 16.38313
300.8082 16.72819
301.2903 17.59285
301.7724 19.01877
302.2545 21.07467
302.7367 23.84437
303.2188 27.36037
303.7009 31.73631
304.1830 36.62496
304.6651 42.55858
305.1472 49.66751
305.6294 58.07206
306.1115 68.05853
306.5936 79.83484
307.0757 93.49605
307.5578 109.0871
308.0399 126.2501
308.5221 145.2778
309.0042 167.1501
309.4863 191.0885
309.9684 215.8982
310.4505 241.6079
310.9326 266.8870
311.4148 280.9221
311.8969 285.3174
312.3790 278.8837
312.8611 256.2635
313.3432 223.4740
313.8253 188.2944
314.3075 153.9380
314.7896 122.0675
315.2717 97.03026
315.7538 81.43143
316.2359 68.94742
316.7180 59.72702
317.2001 53.12746
317.6823 48.67145
318.1644 46.16925
318.6465 45.31082
319.1286 45.64846
319.6107 47.36161
320.0928 50.19586
320.5750 53.96059
321.0571 58.93685
321.5392 65.67302
322.0213 74.04298
322.5034 83.35591
322.9855 93.24810
323.4677 104.2814
323.9498 111.3242
324.4319 115.3842
324.9140 115.2984
325.3961 109.1403
325.8782 98.10767
326.3604 85.16478
326.8425 71.99928
327.3246 58.85186
327.8067 48.31029
328.2888 40.92355
328.7709 35.07048
329.2531 30.72598
329.7352 27.60312
330.2173 25.38794
330.6994 23.96194
331.1815 23.19814
331.6636 22.75230
332.1458 22.76193
332.6279 22.95681
333.1100 23.35245
333.5921 23.91571
334.0742 24.60666
334.5563 25.41365
335.0385 26.39868
335.5206 27.64683
336.0027 29.23668
336.4848 30.94645
336.9669 32.59870
337.4490 34.51266
337.9312 36.84451
338.4133 39.63689
338.8954 42.85135
339.3775 46.41292
339.8596 50.29014
340.3417 55.13773
340.8239 60.98788
341.3060 67.62637
341.7881 74.77643
342.2702 82.67816
342.7523 91.58601
343.2344 101.5315
343.7166 112.7876
344.1987 126.6428
344.6808 143.5321
345.1629 162.9703
345.6450 184.1934
346.1271 208.1490
346.6093 235.7715
347.0914 267.2323
347.5735 302.7465
348.0556 342.3179
348.5377 388.3127
349.0198 434.7609
349.5020 485.2427
349.9841 533.5544
350.4662 579.0729
350.9483 619.2800
351.4304 647.3159
351.9125 655.4728
352.3947 642.8395
352.8768 615.9728
353.3589 563.0451
353.8410 507.8990
354.3231 454.6538
354.8052 405.8205
355.2874 363.7712
355.7695 330.2455
356.2516 305.1171
356.7337 287.0522
357.2158 278.0794
357.6979 274.3911
358.1800 276.1215
358.6621 281.9463
359.1443 290.3938
359.6264 300.9350
360.1085 314.1872
360.5906 331.0113
361.0727 350.5394
361.5548 376.3972
362.0370 407.6606
362.5191 445.6622
363.0012 490.6088
363.4833 543.2492
363.9654 604.5905
364.4475 676.1733
364.9297 758.1797
365.4118 847.3322
365.8939 943.4125
366.3760 1047.944
366.8581 1165.317
367.3402 1290.687
367.8224 1417.097
368.3045 1545.807
368.7866 1667.462
369.2687 1756.127
369.7508 1813.746
370.2329 1830.343
370.7151 1795.193
371.1972 1725.094
371.6793 1630.070
372.1614 1512.058
372.6435 1380.753
373.1256 1243.180
373.6078 1098.241
374.0899 966.1689
374.5720 852.1361
375.0541 752.9664
375.5362 666.2750
376.0183 591.3591
376.5005 526.8607
376.9826 473.1842
377.4647 429.1908
377.9468 390.4901
378.4289 357.1923
378.9110 328.5671
379.3932 304.8376
379.8753 285.1021
380.3574 268.3767
380.8395 255.4323
381.3216 244.3733
381.8037 233.8122
382.2859 223.7826
382.7680 211.7347
383.2501 195.6812
383.7322 177.4083
384.2143 159.5529
384.6964 142.0116
385.1786 125.7656
385.6607 111.4053
386.1428 98.91589
386.6249 88.33666
387.1070 79.94046
387.5891 72.84721
388.0713 66.08062
388.5534 59.62774
389.0355 54.13549
389.5176 50.10054
389.9997 46.85904
390.4818 43.77210
390.9640 40.79819
391.4461 38.25634
391.9282 36.49940
392.4103 35.35078
392.8924 33.79338
393.3745 31.38014
393.8567 29.08104
394.3388 27.39397
394.8209 26.07695
395.3030 24.63948
395.7851 22.86039
396.2672 21.03096
396.7494 19.67461
397.2315 19.06878
397.7136 18.29700
398.1957 17.17965
398.6778 15.96811
399.1599 14.79414
399.6420 13.70823
400.1241 12.81216
400.6063 12.22363
401.0884 11.95204
401.5705 11.58419
402.0526 11.11147
402.5347 10.56863
403.0168 9.881264
403.4990 9.147167
403.9811 8.521854
404.4632 8.082664
404.9453 7.781536
405.4274 7.522686
405.9095 7.450304
406.3917 7.190441
406.8738 6.544127
407.3559 5.856722
407.8380 5.406216
408.3201 5.199957
408.8022 5.015530
409.2844 4.602535
409.7665 3.939709
410.2486 3.408501
410.7307 3.097677
411.2128 2.821657
411.6949 2.519175
412.1771 2.207418
412.6592 1.931873
413.1413 1.732037
413.6234 1.574198
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