#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:59 +0300 (Thu, 24 May 2018) $
#$Revision: 729 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000234.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_1000234
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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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               1000234
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
135.0178 0.0000000E+00
135.4999 0.5213850
135.9820 0.8936330
136.4641 0.8554670
136.9462 2.5791001E-02
137.4283 0.1722580
137.9105 0.4027690
138.3926 1.344635
138.8747 1.986231
139.3568 2.288013
139.8389 2.471359
140.3210 2.609911
140.8032 2.693680
141.2853 2.785645
141.7674 2.871943
142.2495 2.970104
142.7316 3.066465
143.2137 2.974625
143.6959 2.859663
144.1780 3.032425
144.6601 3.678917
145.1422 4.151102
145.6243 4.398575
146.1064 4.466335
146.5886 4.533899
147.0707 4.622002
147.5528 4.685570
148.0349 4.693197
148.5170 4.600601
148.9991 4.523443
149.4813 4.449627
149.9634 4.385311
150.4455 4.390575
150.9276 4.562496
151.4097 4.736801
151.8918 4.807404
152.3740 4.468884
152.8561 4.391685
153.3382 4.797367
153.8203 5.659702
154.3024 6.255447
154.7845 6.336739
155.2667 6.227238
155.7488 6.172932
156.2309 6.173809
156.7130 6.260605
157.1951 6.467228
157.6772 6.796959
158.1594 7.121410
158.6415 7.447418
159.1236 7.740395
159.6057 7.968060
160.0878 8.013298
160.5699 8.084450
161.0521 8.280930
161.5342 8.624084
162.0163 8.938175
162.4984 9.097595
162.9805 9.209499
163.4626 9.409454
163.9448 9.832176
164.4269 10.28841
164.9090 10.65059
165.3911 10.87385
165.8732 11.19199
166.3553 11.91726
166.8375 12.79571
167.3196 13.40741
167.8017 13.26388
168.2838 12.97574
168.7659 13.07075
169.2480 13.57064
169.7302 14.33501
170.2123 15.46606
170.6944 16.96853
171.1765 18.61354
171.6586 20.26870
172.1407 21.84069
172.6229 23.31993
173.1050 24.84938
173.5871 26.42055
174.0692 27.94778
174.5513 29.52233
175.0334 31.21872
175.5156 33.53347
175.9977 35.83400
176.4798 37.16296
176.9619 37.31892
177.4440 36.66805
177.9261 35.53712
178.4083 33.93045
178.8904 31.85101
179.3725 28.98362
179.8546 25.68493
180.3367 22.68766
180.8188 20.16290
181.3010 17.93206
181.7831 15.69183
182.2652 13.49541
182.7473 11.62029
183.2294 10.40771
183.7115 9.694771
184.1937 9.094868
184.6758 8.588879
185.1579 8.080654
185.6400 7.302193
186.1221 6.272167
186.6042 5.317341
187.0864 4.711884
187.5685 4.409180
188.0506 4.246243
188.5327 4.245914
189.0148 4.312988
189.4969 4.244663
189.9791 4.038143
190.4612 3.756138
190.9433 3.384903
191.4254 2.948574
191.9075 2.645107
192.3896 2.558617
192.8718 2.612194
193.3539 2.616215
193.8360 2.573021
194.3181 2.472969
194.8002 2.253807
195.2823 1.914425
195.7645 1.705593
196.2466 1.712006
196.7287 1.871895
197.2108 1.955212
197.6929 1.964413
198.1750 1.881615
198.6572 1.612213
199.1393 1.138535
199.6214 0.8549350
200.1035 0.9633870
200.5856 1.351311
201.0677 1.296383
201.5499 0.7087020
202.0320 2.1586999E-02
202.5141 0.5450970
202.9962 0.8559190
203.4783 0.9949000
203.9604 0.9055670
204.4426 0.6289060
204.9247 0.5298730
205.4068 0.6455690
205.8889 0.8469850
206.3710 1.036903
206.8531 1.232765
207.3353 1.324062
207.8174 1.274227
208.2995 1.089993
208.7816 0.8290630
209.2637 0.4345280
209.7458 8.1138998E-02
210.2280 9.9199999E-04
210.7101 0.2975160
211.1922 0.4899710
211.6743 0.4672850
212.1564 0.2360610
212.6385 0.1253240
213.1207 0.7310140
213.6028 1.274128
214.0849 1.343254
214.5670 0.7023050
215.0491 0.3132400
215.5313 0.4572070
216.0134 1.131561
216.4955 1.636978
216.9776 1.882305
217.4597 2.091625
217.9418 2.504959
218.4239 3.158775
218.9061 3.906273
219.3882 4.725925
219.8703 5.609249
220.3524 6.567677
220.8345 7.620464
221.3166 8.708668
221.7988 9.796608
222.2809 10.88891
222.7630 11.93461
223.2451 12.83762
223.7272 13.60099
224.2093 14.72530
224.6915 16.38032
225.1736 18.22943
225.6557 19.86932
226.1378 21.16520
226.6199 22.61833
227.1020 24.42234
227.5842 26.59728
228.0663 28.31599
228.5484 29.23384
229.0305 30.09322
229.5126 31.65073
229.9947 34.32407
230.4769 36.89204
230.9590 39.17312
231.4411 41.11737
231.9232 42.64872
232.4053 43.55769
232.8874 44.37765
233.3696 45.58265
233.8517 47.43883
234.3338 49.09260
234.8159 50.36791
235.2980 51.26637
235.7801 51.99143
236.2623 52.21795
236.7444 52.67374
237.2265 53.98889
237.7086 56.53955
238.1907 59.21213
238.6728 61.99141
239.1550 64.84884
239.6371 67.26532
240.1192 69.42278
240.6013 70.92989
241.0834 71.48436
241.5655 71.12323
242.0477 69.74409
242.5298 67.32323
243.0119 63.86568
243.4940 59.32653
243.9761 53.12804
244.4582 46.52897
244.9404 40.36164
245.4225 34.52258
245.9046 29.30866
246.3867 24.75507
246.8688 20.83582
247.3509 17.37067
247.8331 14.34436
248.3152 11.79173
248.7973 9.775803
249.2794 8.491234
249.7615 7.329025
250.2436 6.272129
250.7258 5.302357
251.2079 4.317200
251.6900 3.141254
252.1721 2.198692
252.6542 1.784309
253.1363 2.162964
253.6185 2.453606
254.1006 2.587173
254.5827 2.597691
255.0648 2.566040
255.5469 2.358738
256.0291 2.321960
256.5112 2.734409
256.9933 3.999767
257.4754 4.654816
257.9575 4.412041
258.4396 3.605747
258.9218 3.208466
259.4039 3.401348
259.8860 3.641296
260.3681 3.645176
260.8502 3.264610
261.3323 3.140236
261.8145 3.309677
262.2966 3.746834
262.7787 4.421791
263.2608 5.461330
263.7429 6.426746
264.2250 7.042046
264.7072 7.068714
265.1893 7.745518
265.6714 9.339676
266.1535 11.36814
266.6356 12.89329
267.1177 13.70175
267.5999 14.64108
268.0820 16.09231
268.5641 18.16212
269.0462 19.85823
269.5283 21.13911
270.0104 22.16457
270.4926 23.26117
270.9747 24.57541
271.4568 25.46803
271.9389 25.75904
272.4210 25.44968
272.9031 24.54182
273.3853 22.91161
273.8674 20.94312
274.3495 19.08753
274.8316 17.31405
275.3137 15.75691
275.7958 14.41378
276.2780 13.29794
276.7601 12.58431
277.2422 12.37769
277.7243 12.30035
278.2064 11.98032
278.6885 11.40476
279.1707 10.67810
279.6528 9.757378
280.1349 8.705139
280.6170 7.856087
281.0991 7.233360
281.5812 6.721878
282.0634 6.254555
282.5455 5.828674
283.0276 5.381325
283.5097 4.889076
283.9918 4.375183
284.4739 3.943375
284.9561 3.612434
285.4382 3.225960
285.9203 2.651482
286.4024 1.900520
286.8845 1.029213
287.3666 7.9102002E-02
287.8488 1.129829
288.3309 1.258980
288.8130 0.4418950
289.2951 0.2448270
289.7772 8.8829003E-02
290.2593 1.247368
290.7415 2.116371
291.2236 2.583748
291.7057 2.723839
292.1878 2.509880
292.6699 1.973801
293.1520 1.511986
293.6342 1.432793
294.1163 1.613617
294.5984 1.642685
295.0805 1.479294
295.5626 1.242805
296.0447 1.088882
296.5269 0.9962160
297.0090 0.8608630
297.4911 0.6159130
297.9732 0.2971730
298.4553 1.7890999E-02
298.9374 0.2084120
299.4196 0.5106660
299.9017 1.127113
300.3838 1.935303
300.8659 2.593636
301.3480 2.849091
301.8301 2.930031
302.3123 3.103462
302.7944 3.374733
303.2765 3.844490
303.7586 4.786575
304.2407 5.962692
304.7228 6.953674
305.2050 7.509102
305.6871 7.937050
306.1692 8.568954
306.6513 9.379204
307.1334 10.16489
307.6155 10.75732
308.0977 11.26712
308.5798 11.81935
309.0619 12.40286
309.5440 13.12078
310.0261 14.08115
310.5082 15.25044
310.9904 16.52197
311.4725 18.02010
311.9546 19.51003
312.4367 20.70279
312.9188 21.39388
313.4009 22.28206
313.8831 23.89486
314.3652 25.98534
314.8473 28.10918
315.3294 30.08832
315.8115 32.05794
316.2936 34.06778
316.7758 36.10323
317.2579 38.31208
317.7400 41.28938
318.2221 44.33876
318.7042 46.63837
319.1863 47.22497
319.6685 47.63744
320.1506 48.72978
320.6327 50.55148
321.1148 51.66135
321.5969 51.38757
322.0790 50.34472
322.5612 49.03970
323.0433 47.41872
323.5254 45.71703
324.0075 43.98531
324.4896 42.21101
324.9717 40.37012
325.4539 38.33977
325.9360 36.29910
326.4181 34.36414
326.9002 32.25517
327.3823 30.59742
327.8644 29.48277
328.3466 28.85382
328.8287 28.53783
329.3108 28.76444
329.7929 29.09875
330.2750 29.38988
330.7571 29.61926
331.2393 29.84888
331.7214 29.98351
332.2035 30.15437
332.6856 30.59736
333.1677 31.62205
333.6498 32.46738
334.1320 32.84074
334.6141 32.63395
335.0962 32.78539
335.5783 33.49926
336.0604 34.35925
336.5425 34.93347
337.0247 35.13332
337.5068 35.26836
337.9889 35.37114
338.4710 35.45232
338.9531 35.61069
339.4352 35.87108
339.9173 36.15636
340.3994 36.30076
340.8816 36.20653
341.3637 36.64529
341.8458 37.84395
342.3279 39.52497
342.8100 40.95298
343.2921 42.04385
343.7743 43.36830
344.2564 45.33691
344.7385 47.93159
345.2206 50.43697
345.7027 52.77897
346.1848 55.09445
346.6670 57.51188
347.1491 60.02683
347.6312 62.81544
348.1133 66.01937
348.5954 69.54785
349.0775 72.99029
349.5597 76.34206
350.0418 80.19712
350.5239 85.29694
351.0060 91.42674
351.4881 97.71204
351.9702 103.8703
352.4524 110.0435
352.9345 116.0082
353.4166 121.8723
353.8987 128.6096
354.3808 137.3256
354.8629 147.2318
355.3451 157.0034
355.8272 166.4065
356.3093 175.5439
356.7914 184.2615
357.2735 192.7776
357.7556 201.5291
358.2378 211.0446
358.7199 220.6823
359.2020 229.8875
359.6841 238.5823
360.1662 246.8775
360.6483 254.4844
361.1305 261.7630
361.6126 269.2654
362.0947 277.3959
362.5768 285.7073
363.0589 293.9826
363.5410 302.1909
364.0232 310.6633
364.5053 318.5349
364.9874 327.2420
365.4695 337.9109
365.9516 351.7299
366.4337 366.5332
366.9159 382.4776
367.3980 399.2761
367.8801 415.8830
368.3622 432.5320
368.8443 448.4597
369.3264 463.4604
369.8086 478.5908
370.2907 490.9828
370.7728 501.3364
371.2549 508.6645
371.7370 511.3323
372.2191 508.7380
372.7013 502.3587
373.1834 492.7193
373.6655 479.8766
374.1476 462.3466
374.6297 438.9033
375.1118 412.8611
375.5940 387.1281
376.0761 361.7994
376.5582 337.2637
377.0403 313.3924
377.5224 290.4861
378.0045 268.6524
378.4867 248.1824
378.9688 229.2000
379.4509 211.8722
379.9330 196.3447
380.4151 182.1805
380.8972 169.5058
381.3794 158.1217
381.8615 148.1793
382.3436 139.5380
382.8257 131.6168
383.3078 123.9231
383.7899 116.6391
384.2721 110.2043
384.7542 104.6847
385.2363 99.66586
385.7184 94.62198
386.2005 89.75187
386.6826 85.33410
387.1648 81.67597
387.6469 78.36665
388.1290 74.81000
388.6111 71.07835
389.0932 67.50343
389.5753 64.15112
390.0575 61.11222
390.5396 58.49464
391.0217 56.39325
391.5038 54.39627
391.9859 52.11429
392.4680 49.74409
392.9502 47.60939
393.4323 45.87667
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394.3965 43.30046
394.8786 42.53696
395.3607 41.61495
395.8429 40.14267
396.3250 38.51753
396.8071 37.08908
397.2892 36.06483
397.7713 35.09816
398.2534 34.21386
398.7356 33.36371
399.2177 32.33456
399.6998 30.78409
400.1819 29.31484
400.6640 28.23721
401.1461 27.98471
401.6283 27.21479
402.1104 25.53285
402.5925 23.51756
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404.0388 20.95725
404.5210 19.77457
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408.3779 8.787109
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409.3421 6.706924
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411.7527 3.295151
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413.1991 1.054615
413.6812 0.4223180
414.1633 2.8114000E-02
414.6454 0.1303980
415.1275 0.1361690
415.6096 0.4197730
416.0918 0.9430850
416.5739 1.447865
417.0560 1.850719
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418.9845 1.212936
419.4666 1.448223
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421.8772 1.807301
422.3593 1.509186
422.8414 1.349197
423.3235 1.497822
423.8056 1.736778
424.2878 1.889359
424.7699 1.920185
425.2520 1.875805
425.7341 1.671455
426.2162 1.377792
426.6983 1.260040
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428.1447 1.559448
428.6268 0.7349780
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429.5910 0.3392330
430.0732 0.5913160
430.5553 0.6253360
431.0374 0.4281810
431.5195 3.8399000E-02
432.0016 0.6650430
432.4837 1.541153
432.9659 1.828529
433.4480 1.433296
433.9301 1.035957
434.4122 1.202526
434.8943 1.845909
435.3764 2.313656
435.8586 2.502090
436.3407 2.628014
436.8228 3.038181
437.3049 3.668060
437.7870 4.230042
438.2691 4.563648
438.7513 4.773945
439.2334 5.000488
439.7155 5.242729
440.1976 5.476906
440.6797 5.709980
441.1618 5.916756
441.6440 6.043633
442.1261 5.980469
442.6082 6.016792
443.0903 6.526737
443.5724 7.257927
444.0545 7.665787
444.5367 7.100601
445.0188 6.537483
445.5009 6.503090
445.9830 7.114540
446.4651 7.614368
446.9472 7.874302
447.4294 7.955891
447.9115 7.907860
448.3936 7.542240
448.8757 7.283375
449.3578 7.174335
449.8399 7.193508
450.3221 7.278618
450.8042 7.526089
451.2863 7.685356
451.7684 7.618816
452.2505 7.269634
452.7326 7.051750
453.2148 6.957966
453.6969 7.015663
454.1790 7.401604
454.6611 8.161728
455.1432 8.484699
455.6253 8.033894
456.1075 7.139896
456.5896 6.666058
457.0717 6.602097
457.5538 6.708054
458.0359 6.920967
458.5180 7.173466
459.0002 7.308926
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