#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:53 +0300 (Thu, 24 May 2018) $
#$Revision: 910 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000387.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_1000387
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 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            R120004.rod
_rod_data_source.block           3500000
_rod_database.code               1000387
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
91.60352 0.0000000E+00
92.08563 0.6392820
92.56775 1.642784
93.04987 3.060364
93.53198 4.445313
94.01410 4.788948
94.49622 4.347588
94.97833 3.541111
95.46045 2.698307
95.94257 1.799583
96.42468 1.386131
96.90680 1.911594
97.38892 2.722809
97.87103 2.982708
98.35315 2.842529
98.83527 2.446598
99.31738 2.041176
99.79950 1.740986
100.2816 1.422585
100.7637 0.9044230
101.2458 0.3632240
101.7280 6.2691003E-02
102.2101 0.1227680
102.6922 0.3032840
103.1743 0.2508200
103.6564 1.9703001E-02
104.1385 0.3453100
104.6207 0.9764750
105.1028 1.780655
105.5849 2.431473
106.0670 2.847034
106.5491 2.955383
107.0313 2.712719
107.5134 2.085163
107.9955 1.382477
108.4776 0.9221340
108.9597 0.7127800
109.4418 0.5592040
109.9240 0.4824330
110.4061 0.4111900
110.8882 0.2803420
111.3703 2.6737001E-02
111.8524 0.2743150
112.3345 0.3022580
112.8167 0.1519550
113.2988 0.4862210
113.7809 0.5752720
114.2630 0.5565870
114.7451 0.5975910
115.2272 0.7334860
115.7094 0.8926620
116.1915 1.033951
116.6736 1.204586
117.1557 1.387486
117.6378 1.509296
118.1199 1.630554
118.6021 1.612957
119.0842 1.453388
119.5663 1.237495
120.0484 1.189770
120.5305 1.304405
121.0126 1.484432
121.4948 1.721004
121.9769 2.012634
122.4590 2.255825
122.9411 2.334259
123.4232 2.277874
123.9053 2.118279
124.3875 1.767742
124.8696 1.313313
125.3517 0.9986610
125.8338 0.8683890
126.3159 0.8765980
126.7980 1.013096
127.2802 1.253021
127.7623 1.481293
128.2444 1.624409
128.7265 1.683369
129.2086 1.643002
129.6907 1.328812
130.1729 1.037636
130.6550 0.9640660
131.1371 1.104885
131.6192 1.269997
132.1013 1.163692
132.5834 0.5235790
133.0656 0.1330870
133.5477 0.1045040
134.0298 0.2217750
134.5119 0.3572960
134.9940 0.4599040
135.4761 0.5144420
135.9583 0.4827460
136.4404 0.2675630
136.9225 8.3274998E-02
137.4046 9.2074998E-02
137.8867 0.2247310
138.3688 0.2445830
138.8510 0.1038550
139.3331 0.1375540
139.8152 0.2909360
140.2973 0.3639600
140.7794 0.3637660
141.2615 0.2203830
141.7437 2.1136999E-02
142.2258 0.1673890
142.7079 5.8623999E-02
143.1900 0.2127190
143.6721 0.3497240
144.1542 7.8060001E-02
144.6364 3.7815001E-02
145.1185 1.238621
145.6006 3.993984
146.0827 6.093868
146.5648 5.541454
147.0469 3.812656
147.5291 2.358715
148.0112 1.750805
148.4933 1.844864
148.9754 2.326191
149.4575 3.648140
149.9396 4.723495
150.4218 5.087910
150.9039 5.104317
151.3860 5.192886
151.8681 5.559128
152.3502 6.223598
152.8323 7.176037
153.3145 8.760788
153.7966 10.33770
154.2787 11.92527
154.7608 13.41593
155.2429 14.64184
155.7250 15.46028
156.2072 15.84266
156.6893 16.22541
157.1714 16.62029
157.6535 17.00549
158.1356 17.33744
158.6177 17.63614
159.0999 17.97816
159.5820 18.42874
160.0641 19.00014
160.5462 19.66860
161.0283 20.42196
161.5104 21.30320
161.9926 22.40045
162.4747 23.71628
162.9568 25.02452
163.4389 25.96651
163.9210 26.57394
164.4031 27.50658
164.8853 28.99566
165.3674 30.83784
165.8495 32.67856
166.3316 34.41187
166.8137 36.33997
167.2958 38.64820
167.7780 41.31908
168.2601 44.50645
168.7422 48.33725
169.2243 52.75857
169.7064 57.47659
170.1885 62.41372
170.6707 67.82383
171.1528 74.07447
171.6349 80.95481
172.1170 87.67135
172.5991 94.31757
173.0812 101.0290
173.5634 104.8125
174.0455 104.7405
174.5276 101.9258
175.0097 95.96382
175.4918 87.26825
175.9739 77.17300
176.4561 66.82687
176.9382 55.63197
177.4203 46.05502
177.9024 38.35205
178.3845 31.85283
178.8666 26.38024
179.3488 21.87006
179.8309 18.24292
180.3130 15.51941
180.7951 14.12490
181.2772 12.78341
181.7593 11.38409
182.2415 10.09863
182.7236 9.094326
183.2057 8.399086
183.6878 7.874529
184.1699 7.310467
184.6520 6.638874
185.1342 6.081745
185.6163 5.748606
186.0984 5.488207
186.5805 5.129091
187.0626 4.616665
187.5447 4.037445
188.0269 3.526443
188.5090 3.069365
188.9911 2.710583
189.4732 2.512554
189.9553 2.410189
190.4374 2.290920
190.9196 2.119484
191.4017 1.937292
191.8838 1.816801
192.3659 1.767921
192.8480 1.670279
193.3301 1.404175
193.8123 1.027086
194.2944 0.7620200
194.7765 0.7177240
195.2586 0.7431490
195.7407 0.6735120
196.2228 0.5146030
196.7050 0.3433690
197.1871 0.1949080
197.6692 6.4980000E-02
198.1513 3.5507001E-02
198.6334 4.7015999E-02
199.1155 8.3401002E-02
199.5977 0.2653240
200.0798 0.5902710
200.5619 0.8775140
201.0440 0.9556240
201.5261 0.8033390
202.0082 0.6184010
202.4904 0.2817990
202.9725 2.3990001E-03
203.4546 8.5135996E-02
203.9367 4.4406999E-02
204.4188 0.2536660
204.9009 0.4026180
205.3831 0.5074200
205.8652 0.4853740
206.3473 0.1455690
206.8294 0.1819110
207.3115 0.2300340
207.7936 7.1910000E-03
208.2758 0.2741580
208.7579 0.1939510
209.2400 0.4343720
209.7221 0.9905360
210.2042 1.552879
210.6863 2.003597
211.1685 2.169941
211.6506 2.060787
212.1327 1.926945
212.6148 2.135338
213.0969 2.836227
213.5790 3.616482
214.0612 4.524479
214.5433 5.486519
215.0254 6.383450
215.5075 7.198486
215.9896 8.141018
216.4717 9.529137
216.9539 11.66693
217.4360 13.51683
217.9181 14.90810
218.4002 16.09648
218.8823 17.30739
219.3644 18.58164
219.8466 19.88764
220.3287 21.21728
220.8108 22.60265
221.2929 23.86807
221.7750 24.88600
222.2571 25.80236
222.7393 26.79269
223.2214 27.89064
223.7035 29.07058
224.1856 30.24461
224.6677 31.40794
225.1498 32.87270
225.6320 34.88005
226.1141 37.19925
226.5962 39.41545
227.0783 41.40127
227.5604 43.43902
228.0425 45.82648
228.5247 48.49194
229.0068 51.34105
229.4889 54.25544
229.9710 57.31148
230.4531 60.73008
230.9352 64.57826
231.4174 68.68132
231.8995 72.65237
232.3816 76.67515
232.8637 81.35018
233.3458 87.17615
233.8279 93.89731
234.3101 101.0397
234.7922 109.3691
235.2743 116.5923
235.7564 122.5154
236.2385 126.6185
236.7206 127.7221
237.2028 124.9542
237.6849 118.6289
238.1670 109.7418
238.6491 96.72368
239.1312 83.33215
239.6133 70.19009
240.0955 57.84130
240.5776 46.97720
241.0597 38.10980
241.5418 31.06810
242.0239 25.28728
242.5060 21.30191
242.9882 17.97023
243.4703 14.90609
243.9524 12.19246
244.4345 9.972027
244.9166 8.347103
245.3987 7.250351
245.8809 6.422932
246.3630 6.100754
246.8451 5.764999
247.3272 5.247738
247.8093 4.671326
248.2914 4.209225
248.7736 3.959759
249.2557 3.868774
249.7378 3.721149
250.2199 3.517685
250.7020 3.245567
251.1841 2.790123
251.6663 2.299274
252.1484 1.952438
252.6305 1.839939
253.1126 1.914520
253.5947 2.021011
254.0768 2.074997
254.5590 2.270824
255.0411 2.752457
255.5232 3.327003
256.0053 3.755436
256.4874 3.941708
256.9695 4.022247
257.4517 4.319546
257.9338 4.902729
258.4159 5.646130
258.8980 6.308167
259.3801 7.266918
259.8622 9.160702
260.3444 12.18925
260.8265 15.59504
261.3086 17.92907
261.7907 18.34177
262.2728 18.90648
262.7549 19.60154
263.2371 20.49502
263.7192 21.90517
264.2013 23.90047
264.6834 25.78902
265.1655 26.53233
265.6476 25.77148
266.1298 24.41097
266.6119 22.30807
267.0940 19.75700
267.5761 16.78835
268.0582 13.42912
268.5403 10.16599
269.0225 7.569870
269.5046 5.796009
269.9867 4.199329
270.4688 2.733383
270.9509 1.470116
271.4330 0.5116200
271.9152 0.1389240
272.3973 0.6364020
272.8794 1.113117
273.3615 1.565224
273.8436 1.931614
274.3257 2.144630
274.8079 2.320950
275.2900 2.583988
275.7721 2.929947
276.2542 3.206741
276.7363 3.291428
277.2184 3.188152
277.7006 3.075916
278.1827 2.980392
278.6648 2.856846
279.1469 2.659042
279.6290 2.395603
280.1111 2.126122
280.5933 1.867386
281.0754 1.639584
281.5575 1.485584
282.0396 1.460697
282.5217 1.441574
283.0038 1.435192
283.4860 1.404091
283.9681 1.116055
284.4502 0.3412630
284.9323 0.6542050
285.4144 1.284405
285.8965 1.394001
286.3787 1.533325
286.8608 2.056393
287.3429 2.868702
287.8250 3.614338
288.3071 4.111500
288.7892 4.589184
289.2714 5.402069
289.7535 6.576969
290.2356 7.770081
290.7177 8.740067
291.1998 9.603973
291.6819 10.67524
292.1641 12.01487
292.6462 13.60867
293.1283 15.59283
293.6104 17.90588
294.0925 20.01413
294.5746 21.67551
295.0568 22.98716
295.5389 24.11058
296.0210 25.03139
296.5031 25.85764
296.9852 26.86343
297.4673 27.89728
297.9495 28.43310
298.4316 27.99292
298.9137 27.07449
299.3958 26.31947
299.8779 25.70628
300.3600 25.43912
300.8422 25.75875
301.3243 26.51683
301.8064 27.50631
302.2885 28.68682
302.7706 30.09113
303.2527 31.76536
303.7349 33.72028
304.2170 35.88692
304.6991 38.17008
305.1812 40.70655
305.6633 43.63333
306.1454 46.93346
306.6276 50.70024
307.1097 55.09387
307.5918 60.08467
308.0739 65.36659
308.5560 70.88491
309.0381 76.58235
309.5203 82.45100
310.0024 88.55515
310.4845 94.41653
310.9666 100.0532
311.4487 105.2892
311.9308 109.3132
312.4130 112.3466
312.8951 113.3488
313.3772 111.4405
313.8593 106.8720
314.3414 100.9397
314.8235 93.64418
315.3057 85.48106
315.7878 77.47285
316.2699 69.49870
316.7520 62.27734
317.2341 56.34112
317.7162 51.52643
318.1984 47.66447
318.6805 44.82421
319.1626 42.86629
319.6447 41.57958
320.1268 40.95607
320.6089 41.04805
321.0911 42.28150
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322.0553 46.09710
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323.0195 49.73043
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324.4659 57.75258
324.9480 60.06490
325.4301 61.76535
325.9122 62.62086
326.3943 62.57904
326.8765 61.94021
327.3586 60.56285
327.8407 58.62906
328.3228 57.16113
328.8049 56.35276
329.2870 56.18224
329.7692 56.56269
330.2513 57.45647
330.7334 58.73807
331.2155 60.12905
331.6976 61.88587
332.1797 64.67652
332.6619 68.70915
333.1440 73.39226
333.6261 78.36720
334.1082 83.60867
334.5903 89.22553
335.0724 95.32153
335.5546 101.7401
336.0367 108.4319
336.5188 115.4215
337.0009 122.1209
337.4830 127.8967
337.9651 133.2507
338.4473 139.0376
338.9294 145.2429
339.4115 152.0519
339.8936 159.6448
340.3757 168.0040
340.8578 176.7182
341.3400 185.5685
341.8221 194.9106
342.3042 205.0344
342.7863 215.8407
343.2684 227.8131
343.7505 241.3753
344.2327 256.2816
344.7148 271.7583
345.1969 287.3821
345.6790 304.2442
346.1611 323.7371
346.6432 345.5109
347.1254 369.4249
347.6075 395.8230
348.0896 424.1300
348.5717 453.6763
349.0538 484.5808
349.5359 515.5497
350.0181 546.3978
350.5002 576.6108
350.9823 604.4633
351.4644 632.4114
351.9465 655.6177
352.4286 671.2999
352.9108 679.5672
353.3929 680.9824
353.8750 675.1514
354.3571 662.9547
354.8392 646.5469
355.3214 624.6647
355.8035 602.3387
356.2856 579.9462
356.7677 558.6078
357.2498 540.1929
357.7319 525.1486
358.2141 513.4374
358.6962 505.0847
359.1783 500.1003
359.6604 498.4727
360.1425 500.4312
360.6246 505.5570
361.1068 513.5677
361.5889 524.4626
362.0710 537.9626
362.5531 553.7494
363.0352 572.1156
363.5173 593.7699
363.9995 618.8313
364.4816 646.7231
364.9637 677.5302
365.4458 710.9276
365.9279 746.5526
366.4100 784.4496
366.8922 823.8308
367.3743 861.6199
367.8564 900.5728
368.3385 934.3065
368.8206 964.7208
369.3027 988.3388
369.7849 1001.592
370.2670 1003.342
370.7491 993.3716
371.2312 970.8614
371.7133 933.3337
372.1954 888.7541
372.6776 834.5624
373.1597 776.3383
373.6418 714.5948
374.1239 651.1662
374.6060 590.0222
375.0881 533.4660
375.5703 481.7451
376.0524 435.4027
376.5345 394.8731
377.0166 358.7430
377.4987 327.1534
377.9808 299.5765
378.4630 275.4030
378.9451 254.3606
379.4272 236.1736
379.9093 220.2802
380.3914 207.1965
380.8735 195.7259
381.3557 186.2676
381.8378 177.8779
382.3199 170.0269
382.8020 162.5015
383.2841 155.2122
383.7662 148.1912
384.2484 141.5295
384.7305 134.2964
385.2126 125.9316
385.6947 117.4672
386.1768 109.0134
386.6589 100.7168
387.1411 92.73786
387.6232 85.11993
388.1053 77.89736
388.5874 71.25459
389.0695 65.21978
389.5516 59.79022
390.0338 54.95514
390.5159 50.59340
390.9980 46.67102
391.4801 43.16497
391.9622 39.95893
392.4443 36.87957
392.9265 33.91888
393.4086 31.21000
393.8907 28.81413
394.3728 26.67177
394.8549 24.85476
395.3370 23.28723
395.8192 21.72082
396.3013 19.89398
396.7834 17.94614
397.2655 16.36893
397.7476 15.23779
398.2297 14.29190
398.7119 13.52977
399.1940 12.82672
399.6761 12.01304
400.1582 11.00980
400.6403 9.964809
401.1224 8.979706
401.6046 8.052902
402.0867 7.326660
402.5688 6.950012
403.0509 6.676132
403.5330 6.170326
404.0151 5.426025
404.4973 4.767799
404.9794 4.438435
405.4615 4.280609
405.9436 3.992149
406.4257 3.520824
406.9078 3.044365
407.3900 2.733925
407.8721 2.550945
408.3542 2.281353
408.8363 1.862720
409.3184 1.422108
409.8005 1.021584
410.2827 0.6638410
410.7648 0.3818550
411.2469 0.2145690
411.7290 8.2774997E-02
412.2111 0.2219620
412.6932 0.8192860
413.1754 1.267441
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