#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:12 +0300 (Thu, 24 May 2018) $
#$Revision: 666 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000192.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_1000192
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        R050311
_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            R050311.rod
_rod_data_source.block           3500000
_rod_database.code               1000192
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
96.69257 0.0000000E+00
97.17468 0.4784600
97.65680 0.6812810
98.13892 0.2618990
98.62103 0.1468850
99.10315 0.4615360
99.58527 1.075085
100.0674 1.642186
100.5495 2.267585
101.0316 1.869281
101.5137 1.528753
101.9958 1.278131
102.4780 0.9870660
102.9601 0.5457700
103.4422 0.1211110
103.9243 0.4283750
104.4064 0.2728300
104.8885 0.1752610
105.3707 0.6542150
105.8528 1.274716
106.3349 1.757170
106.8170 1.972712
107.2991 1.758592
107.7813 1.585557
108.2634 1.502539
108.7455 1.468562
109.2276 1.335821
109.7097 0.6820820
110.1918 0.2420720
110.6740 0.3206270
111.1561 1.612283
111.6382 2.650394
112.1203 3.166798
112.6024 3.265024
113.0845 3.526323
113.5667 4.216225
114.0488 4.999840
114.5309 5.663460
115.0130 6.113457
115.4951 6.470966
115.9772 6.710066
116.4594 6.843082
116.9415 7.074324
117.4236 7.624130
117.9057 8.265203
118.3878 8.750788
118.8699 8.744677
119.3521 8.751055
119.8342 9.074425
120.3163 9.749372
120.7984 10.56599
121.2805 11.48202
121.7626 12.45224
122.2448 13.39596
122.7269 14.58379
123.2090 15.56965
123.6911 15.73777
124.1732 14.83882
124.6553 13.89661
125.1375 14.03842
125.6196 14.97243
126.1017 15.77497
126.5838 15.59533
127.0659 14.96477
127.5480 14.90548
128.0302 15.71410
128.5123 16.82161
128.9944 17.47104
129.4765 17.69231
129.9586 17.77211
130.4407 17.87813
130.9229 18.00422
131.4050 18.14081
131.8871 18.30918
132.3692 18.45472
132.8513 18.31296
133.3334 17.76856
133.8156 17.18923
134.2977 17.20582
134.7798 17.95056
135.2619 18.60365
135.7440 18.99221
136.2261 19.14833
136.7083 19.22594
137.1904 19.19183
137.6725 19.19210
138.1546 19.51540
138.6367 20.30367
139.1188 20.64873
139.6010 20.22190
140.0831 19.02561
140.5652 17.97121
141.0473 17.00892
141.5294 16.23151
142.0115 15.80724
142.4937 15.87200
142.9758 15.95672
143.4579 15.93380
143.9400 15.78695
144.4221 15.60836
144.9042 15.43433
145.3864 15.21874
145.8685 14.87727
146.3506 14.00705
146.8327 13.44816
147.3148 13.58176
147.7969 14.92795
148.2791 15.56080
148.7612 15.09150
149.2433 14.08187
149.7254 13.60173
150.2075 13.92552
150.6896 14.47969
151.1718 15.05556
151.6539 15.45016
152.1360 16.09057
152.6181 17.30007
153.1002 18.83273
153.5823 19.94509
154.0645 20.27990
154.5466 20.40969
155.0287 20.62071
155.5108 21.07903
155.9929 21.46444
156.4750 21.49327
156.9572 21.33352
157.4393 21.64908
157.9214 23.14130
158.4035 24.81266
158.8856 26.05116
159.3677 26.07744
159.8499 26.30940
160.3320 27.36559
160.8141 29.08266
161.2962 30.47104
161.7783 30.87672
162.2604 30.97174
162.7426 31.29469
163.2247 32.16043
163.7068 33.10991
164.1889 33.87509
164.6710 34.47050
165.1531 35.25964
165.6353 36.43904
166.1174 37.89544
166.5995 39.50695
167.0816 41.39766
167.5637 43.30416
168.0458 45.01191
168.5280 46.50180
169.0101 48.07174
169.4922 49.86815
169.9743 51.84887
170.4564 53.94482
170.9385 56.23104
171.4207 58.55787
171.9028 60.81333
172.3849 62.98141
172.8670 65.07552
173.3491 67.48142
173.8312 69.83284
174.3134 71.43318
174.7955 71.71381
175.2776 71.17389
175.7597 70.47553
176.2418 69.69527
176.7239 68.32844
177.2061 65.79000
177.6882 62.25108
178.1703 58.23373
178.6524 53.72363
179.1345 48.91764
179.6166 44.12148
180.0988 39.26354
180.5809 34.64410
181.0630 30.57300
181.5451 26.98788
182.0272 23.80522
182.5093 20.90958
182.9915 18.34862
183.4736 16.37609
183.9557 15.07972
184.4378 14.04421
184.9199 12.57293
185.4020 10.77251
185.8842 9.244499
186.3663 8.609524
186.8484 8.577202
187.3305 8.071445
187.8126 6.937439
188.2947 5.502632
188.7769 4.166042
189.2590 2.933578
189.7411 1.940689
190.2232 1.291630
190.7053 0.9615970
191.1874 0.8164290
191.6696 0.9045260
192.1517 1.063099
192.6338 0.9788510
193.1159 0.6455610
193.5980 0.2520980
194.0801 0.1309200
194.5623 0.4915620
195.0444 0.7145000
195.5265 0.7789460
196.0086 0.7826230
196.4907 0.8897170
196.9728 1.094597
197.4550 1.281845
197.9371 1.429329
198.4192 1.533981
198.9013 1.372307
199.3834 0.8559490
199.8655 0.2010730
200.3477 0.1229400
200.8298 8.5220002E-02
201.3119 4.6455000E-02
201.7940 0.1516880
202.2761 0.2403410
202.7582 0.1575550
203.2404 0.1954800
203.7225 0.6662370
204.2046 0.7841570
204.6867 0.4594500
205.1688 9.2583001E-02
205.6509 0.1157530
206.1331 0.1819460
206.6152 3.8910002E-02
207.0973 0.6415330
207.5794 1.496498
208.0615 2.227066
208.5436 2.839600
209.0258 3.314682
209.5079 3.580170
209.9900 3.560127
210.4721 3.670258
210.9542 3.929390
211.4363 4.344528
211.9185 4.974861
212.4006 5.900497
212.8827 6.875519
213.3648 7.687187
213.8469 8.247177
214.3290 9.024666
214.8112 10.14648
215.2933 11.48584
215.7754 12.57691
216.2575 13.21002
216.7396 13.99452
217.2217 15.33400
217.7038 17.41827
218.1860 19.47726
218.6681 21.51688
219.1502 23.48112
219.6323 25.05212
220.1144 25.99036
220.5965 26.92864
221.0787 28.19748
221.5608 29.82645
222.0429 31.67352
222.5250 33.77027
223.0071 36.10793
223.4892 38.55242
223.9714 41.30325
224.4535 43.93320
224.9356 46.17088
225.4177 47.79249
225.8998 49.31232
226.3819 50.53278
226.8641 51.72640
227.3462 53.84538
227.8283 57.42467
228.3104 61.09285
228.7925 64.07381
229.2746 66.02769
229.7568 68.18292
230.2389 70.59142
230.7210 73.20462
231.2031 75.87340
231.6852 78.67807
232.1673 81.46239
232.6495 84.06075
233.1316 86.14492
233.6137 88.82139
234.0958 92.41071
234.5779 96.51436
235.0600 99.99409
235.5422 102.9409
236.0243 105.1911
236.5064 106.7496
236.9885 107.9380
237.4706 107.7579
237.9527 106.3649
238.4349 103.5598
238.9170 98.65382
239.3991 90.58118
239.8812 82.00015
240.3633 74.01646
240.8454 66.98158
241.3276 59.62276
241.8097 51.56447
242.2918 43.41677
242.7739 36.63598
243.2560 31.68913
243.7381 27.38580
244.2203 23.25890
244.7024 19.12645
245.1845 15.70097
245.6666 13.12135
246.1487 11.18863
246.6308 9.492264
247.1130 8.058067
247.5951 6.815742
248.0772 5.786156
248.5593 5.040192
249.0414 4.212440
249.5235 3.193123
250.0057 2.161530
250.4878 1.413048
250.9699 1.061012
251.4520 0.7854000
251.9341 0.4374620
252.4162 7.1250997E-02
252.8984 0.2402730
253.3805 0.1263280
253.8626 0.7027440
254.3447 0.9849850
254.8268 0.8871150
255.3089 0.6652150
255.7911 0.3154530
256.2732 0.2169190
256.7553 0.3649670
257.2374 3.6681999E-02
257.7195 0.7053450
258.2017 1.217827
258.6838 1.338974
259.1659 1.811058
259.6480 2.984268
260.1301 4.892570
260.6122 6.302147
261.0944 7.114716
261.5765 7.565979
262.0586 7.874947
262.5407 7.959969
263.0228 8.123482
263.5049 8.432777
263.9871 8.894142
264.4692 9.381996
264.9513 9.888016
265.4334 10.42535
265.9155 11.10722
266.3976 12.07593
266.8798 12.65066
267.3619 12.64523
267.8440 12.11756
268.3261 11.52973
268.8082 10.90965
269.2903 10.17362
269.7725 9.171646
270.2546 7.796631
270.7367 6.710815
271.2188 6.080383
271.7009 5.803024
272.1830 5.454681
272.6652 5.033096
273.1473 4.549629
273.6294 4.017235
274.1115 3.444122
274.5936 2.734055
275.0757 1.791855
275.5579 0.7594830
276.0400 9.6396998E-02
276.5221 0.1392360
277.0042 0.2444460
277.4863 0.3898540
277.9684 0.5834200
278.4506 0.6818160
278.9327 0.6076810
279.4148 0.5184860
279.8969 0.7614360
280.3790 1.361702
280.8611 2.111435
281.3433 3.089203
281.8254 4.290932
282.3075 4.819077
282.7896 4.529518
283.2717 3.833176
283.7538 3.348808
284.2360 3.082260
284.7181 2.853752
285.2002 2.557831
285.6823 2.213333
286.1644 2.053322
286.6465 2.138878
287.1287 2.198570
287.6108 1.816544
288.0929 1.017509
288.5750 0.2531430
289.0571 0.2000660
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290.0214 1.214493
290.5035 2.425552
290.9856 3.755287
291.4677 4.739105
291.9498 5.461456
292.4319 6.411880
292.9141 7.804794
293.3962 9.494987
293.8783 11.16299
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294.8425 14.47060
295.3246 16.26902
295.8068 18.16813
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296.7710 21.85575
297.2531 23.63317
297.7352 25.34846
298.2173 26.99117
298.6995 28.54195
299.1816 29.88416
299.6637 31.12148
300.1458 32.45421
300.6279 33.96888
301.1100 35.50404
301.5922 36.83881
302.0743 38.00070
302.5564 39.10191
303.0385 40.03477
303.5206 41.00590
304.0027 42.39242
304.4849 44.29418
304.9670 46.33479
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309.3060 69.20403
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310.2703 76.68088
310.7524 80.69212
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312.6808 98.31931
313.1630 101.0342
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314.1272 104.7203
314.6093 107.2115
315.0914 109.0933
315.5735 109.6362
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317.0199 105.5232
317.5020 103.0024
317.9841 99.90446
318.4662 95.97915
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320.3947 79.80296
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322.3232 71.81089
322.8053 70.70213
323.2874 70.57453
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324.2516 71.87067
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326.6622 79.49225
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337.7509 131.3099
338.2330 136.7954
338.7151 143.0345
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339.6794 156.2761
340.1615 163.2042
340.6436 170.1175
341.1257 176.8734
341.6078 183.8328
342.0899 191.4206
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344.0184 228.1798
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345.9469 271.6934
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347.3932 313.6143
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349.8038 397.0815
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351.2502 460.0543
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352.2144 502.9689
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353.6607 564.5499
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358.9640 680.7347
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360.4104 699.0861
360.8925 706.9963
361.3746 714.6769
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362.8210 754.5020
363.3031 772.9904
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368.6064 1071.678
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370.5348 1089.433
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373.9096 818.6824
374.3918 764.1288
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376.3202 559.1047
376.8023 513.8098
377.2845 471.6559
377.7666 432.9932
378.2487 397.3459
378.7308 365.6178
379.2129 337.1451
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380.6593 261.8157
381.1414 242.3542
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382.1056 211.3780
382.5877 196.8843
383.0699 183.1795
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384.0341 159.7790
384.5162 149.7150
384.9983 140.3249
385.4804 131.7629
385.9626 124.4128
386.4447 118.4231
386.9268 113.0415
387.4089 107.6564
387.8910 102.2717
388.3731 97.02450
388.8553 91.83053
389.3374 86.87178
389.8195 82.53448
390.3016 78.83399
390.7837 75.05883
391.2658 70.73826
391.7480 66.18274
392.2301 61.69187
392.7122 57.19010
393.1943 52.99378
393.6764 49.44243
394.1585 46.35635
394.6407 43.29414
395.1228 40.05164
395.6049 36.81561
396.0870 33.59744
396.5691 30.33871
397.0512 27.37248
397.5334 24.67556
398.0155 22.32183
398.4976 20.43812
398.9797 19.69855
399.4618 18.69501
399.9439 16.94101
400.4261 14.44202
400.9082 12.54793
401.3903 11.63843
401.8724 10.97030
402.3545 10.06922
402.8366 8.824669
403.3188 7.597755
403.8009 6.355057
404.2830 5.164925
404.7651 4.238449
405.2472 3.684448
405.7293 3.111755
406.2115 2.305969
406.6936 1.293030
407.1757 0.5654300
407.6578 0.1653370
408.1399 0.1211170
408.6220 0.6088870
409.1042 1.296173
409.5863 1.701866
410.0684 1.614037
410.5505 1.295372
411.0326 1.422134
411.5147 1.965210
411.9969 2.500237
412.4790 2.748680
412.9611 2.772690
413.4432 2.693161
413.9253 2.506256
414.4074 2.296265
414.8896 2.130653
415.3717 2.010376
415.8538 1.939774
416.3359 1.942848
416.8180 1.982765
417.3001 2.028313
417.7823 2.080704
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418.7465 2.289307
419.2286 2.417725
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420.1928 2.200104
420.6750 1.957886
421.1571 1.780693
421.6392 1.644485
422.1213 1.489288
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