#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:15 +0300 (Thu, 24 May 2018) $
#$Revision: 733 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000237.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_1000237
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        R060449
_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            R060449.rod
_rod_data_source.block           3500000
_rod_database.code               1000237
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
92.10938 0.0000000E+00
92.59149 9.3130000E-02
93.07361 0.1994560
93.55573 0.3240520
94.03784 0.5342740
94.51996 1.384015
95.00208 2.525547
95.48419 2.934081
95.96631 2.125919
96.44843 0.6916960
96.93054 2.8672000E-02
97.41266 9.5259003E-02
97.89478 0.4426590
98.37689 0.9170200
98.85901 1.557084
99.34113 1.905706
99.82324 1.800391
100.3054 2.095927
100.7875 1.960190
101.2696 1.343267
101.7517 0.8393830
102.2338 0.9931160
102.7159 1.653989
103.1981 2.095874
103.6802 2.056147
104.1623 1.300018
104.6444 0.6956450
105.1265 0.2817940
105.6086 6.5952003E-02
106.0908 8.6456999E-02
106.5729 0.6546170
107.0550 1.107758
107.5371 1.009693
108.0192 0.4349970
108.5013 1.231384
108.9835 0.8957630
109.4656 0.5227240
109.9477 1.380737
110.4298 1.333839
110.9119 0.9152910
111.3940 0.4934830
111.8762 0.2335330
112.3583 0.6488780
112.8404 0.4863940
113.3225 0.3370750
113.8046 0.8865520
114.2867 0.7831110
114.7689 0.4236400
115.2510 0.2413080
115.7331 0.2955770
116.2152 0.5726230
116.6973 1.250128
117.1794 2.545609
117.6616 3.338625
118.1437 2.718638
118.6258 1.374804
119.1079 0.4645210
119.5900 0.9176550
120.0721 1.676826
120.5543 1.949081
121.0364 1.356819
121.5185 0.9129970
122.0006 1.457879
122.4827 2.697165
122.9648 3.804748
123.4470 4.383333
123.9291 4.539358
124.4112 4.291418
124.8933 3.325631
125.3754 2.435069
125.8575 2.551387
126.3397 3.553665
126.8218 4.703064
127.3039 5.452092
127.7860 5.948187
128.2681 6.491601
128.7502 7.242323
129.2324 8.033087
129.7145 8.531939
130.1966 8.743102
130.6787 8.882670
131.1608 9.104841
131.6429 9.411080
132.1251 9.850285
132.6072 10.70019
133.0893 11.68255
133.5714 11.61228
134.0535 10.28397
134.5356 8.846505
135.0178 8.952600
135.4999 10.64064
135.9820 12.16134
136.4641 12.77372
136.9462 12.50612
137.4283 12.34884
137.9105 12.31346
138.3926 12.36735
138.8747 12.50394
139.3568 12.77577
139.8389 12.92373
140.3210 12.75334
140.8032 12.15011
141.2853 11.84107
141.7674 11.88168
142.2495 12.19058
142.7316 12.50213
143.2137 12.57273
143.6959 12.84935
144.1780 13.78165
144.6601 15.92985
145.1422 17.31683
145.6243 17.83274
146.1064 17.65792
146.5886 17.26750
147.0707 16.24171
147.5528 15.38641
148.0349 15.11212
148.5170 15.79935
148.9991 16.64895
149.4813 17.53847
149.9634 18.19564
150.4455 19.10843
150.9276 20.55721
151.4097 22.04734
151.8918 23.23078
152.3740 22.94188
152.8561 23.65997
153.3382 25.68521
153.8203 28.98592
154.3024 33.07568
154.7845 38.77193
155.2667 44.74285
155.7488 50.08213
156.2309 54.97112
156.7130 58.81648
157.1951 61.12582
157.6772 61.82513
158.1594 62.70784
158.6415 63.88345
159.1236 65.50598
159.6057 67.73538
160.0878 71.01283
160.5699 74.49747
161.0521 77.87622
161.5342 81.06798
162.0163 84.51799
162.4984 88.20828
162.9805 92.28352
163.4626 96.92729
163.9448 102.3352
164.4269 108.2330
164.9090 114.3191
165.3911 120.3955
165.8732 127.5471
166.3553 136.3763
166.8375 146.6846
167.3196 158.0639
167.8017 167.5984
168.2838 179.6895
168.7659 196.8370
169.2480 218.6728
169.7302 248.0524
170.2123 286.0713
170.6944 333.1773
171.1765 389.4952
171.6586 456.4530
172.1407 532.2202
172.6229 625.1376
173.1050 749.9581
173.5871 852.3718
174.0692 889.0996
174.5513 865.6251
175.0334 796.1531
175.5156 651.1935
175.9977 474.9408
176.4798 333.4554
176.9619 237.8833
177.4440 172.1652
177.9261 126.3047
178.4083 97.96218
178.8904 78.31200
179.3725 64.73516
179.8546 55.51484
180.3367 47.80133
180.8188 41.20490
181.3010 35.67626
181.7831 31.38534
182.2652 28.29144
182.7473 25.79199
183.2294 23.66853
183.7115 21.83333
184.1937 20.09210
184.6758 18.33369
185.1579 16.71334
185.6400 15.52118
186.1221 14.75094
186.6042 14.04134
187.0864 13.09874
187.5685 11.97010
188.0506 10.87431
188.5327 9.776062
189.0148 8.799433
189.4969 8.329544
189.9791 8.394733
190.4612 8.382740
190.9433 7.516291
191.4254 5.946049
191.9075 4.979900
192.3896 5.201561
192.8718 6.077633
193.3539 5.942087
193.8360 4.696518
194.3181 3.272728
194.8002 2.500261
195.2823 2.363825
195.7645 2.386457
196.2466 2.495571
196.7287 2.669111
197.2108 2.873819
197.6929 3.147936
198.1750 3.276028
198.6572 2.987715
199.1393 2.263557
199.6214 1.541885
200.1035 0.9028210
200.5856 0.3481730
201.0677 0.1121750
201.5499 0.4942420
202.0320 0.7409930
202.5141 0.7800940
202.9962 0.5979650
203.4783 0.2873590
203.9604 0.2712250
204.4426 0.9896810
204.9247 1.011021
205.4068 0.1458630
205.8889 0.9439470
206.3710 1.613134
206.8531 1.808126
207.3353 1.870104
207.8174 1.899342
208.2995 1.880459
208.7816 1.559971
209.2637 0.8603630
209.7458 2.2732001E-02
210.2280 0.7091940
210.7101 1.312492
211.1922 1.893547
211.6743 2.464725
212.1564 3.020943
212.6385 3.619621
213.1207 4.294834
213.6028 5.263710
214.0849 6.517002
214.5670 7.870335
215.0491 9.799675
215.5313 12.42189
216.0134 15.74753
216.4955 19.52287
216.9776 23.63217
217.4597 28.20672
217.9418 33.70858
218.4239 40.64019
218.9061 47.23633
219.3882 53.20538
219.8703 58.51427
220.3524 63.03724
220.8345 66.23154
221.3166 69.10940
221.7988 72.76279
222.2809 77.37555
222.7630 82.17921
223.2451 86.89489
223.7272 91.60845
224.2093 97.20432
224.6915 103.5488
225.1736 110.9107
225.6557 119.3428
226.1378 128.7680
226.6199 139.8766
227.1020 152.8644
227.5842 167.8523
228.0663 184.0085
228.5484 202.2735
229.0305 220.9112
229.5126 238.2680
229.9947 253.5385
230.4769 268.9137
230.9590 283.6271
231.4411 297.6371
231.9232 317.5819
232.4053 341.9527
232.8874 374.1617
233.3696 417.1367
233.8517 470.9526
234.3338 536.1975
234.8159 618.9570
235.2980 719.2420
235.7801 804.8487
236.2623 897.2549
236.7444 951.8814
237.2265 925.8608
237.7086 778.8185
238.1907 628.4474
238.6728 483.5042
239.1550 345.3493
239.6371 239.2195
240.1192 173.4649
240.6013 130.2125
241.0834 97.50527
241.5655 79.28403
242.0477 64.46713
242.5298 52.08543
243.0119 42.09501
243.4940 34.18584
243.9761 29.03713
244.4582 25.16570
244.9404 21.49409
245.4225 17.62035
245.9046 14.77778
246.3867 13.29414
246.8688 13.00680
247.3509 12.84238
247.8331 12.96021
248.3152 12.99749
248.7973 12.71950
249.2794 12.04919
249.7615 11.19479
250.2436 10.00368
250.7258 8.622608
251.2079 7.796215
251.6900 7.762486
252.1721 7.932949
252.6542 7.949692
253.1363 7.620312
253.6185 7.617596
254.1006 8.036022
254.5827 8.801544
255.0648 9.650139
255.5469 10.56212
256.0291 11.56714
256.5112 12.62658
256.9933 13.57682
257.4754 14.99418
257.9575 16.90160
258.4396 19.28416
258.9218 21.87723
259.4039 24.19585
259.8860 27.68144
260.3681 32.96330
260.8502 40.04007
261.3323 49.16467
261.8145 60.54329
262.2966 73.81490
262.7787 88.59222
263.2608 105.5064
263.7429 122.5634
264.2250 141.3139
264.7072 165.3859
265.1893 175.3766
265.6714 168.7459
266.1535 150.0033
266.6356 125.2690
267.1177 90.74197
267.5999 59.78389
268.0820 37.65952
268.5641 25.00969
269.0462 15.17710
269.5283 8.591446
270.0104 4.154984
270.4926 0.1907500
270.9747 3.392216
271.4568 6.306736
271.9389 8.362473
272.4210 9.554100
272.9031 10.63942
273.3853 11.71347
273.8674 12.51358
274.3495 12.54095
274.8316 11.60577
275.3137 10.89169
275.7958 10.75836
276.2780 11.16792
276.7601 11.64472
277.2422 12.30593
277.7243 12.73950
278.2064 12.47339
278.6885 11.45798
279.1707 10.13863
279.6528 8.433228
280.1349 6.505455
280.6170 5.362198
281.0991 5.177689
281.5812 5.063293
282.0634 4.136963
282.5455 2.354668
283.0276 0.8053210
283.5097 0.2279050
283.9918 0.9425960
284.4739 1.979630
284.9561 3.373520
285.4382 4.839005
285.9203 5.993942
286.4024 6.874283
286.8845 8.355148
287.3666 10.56540
287.8488 13.39423
288.3309 16.65623
288.8130 20.35397
289.2951 24.33361
289.7772 28.41552
290.2593 32.62981
290.7415 37.21011
291.2236 41.84987
291.7057 47.50450
292.1878 56.07563
292.6699 67.39891
293.1520 79.51307
293.6342 91.48973
294.1163 103.4060
294.5984 115.4100
295.0805 127.8858
295.5626 139.3021
296.0447 148.9048
296.5269 156.3292
297.0090 159.7949
297.4911 157.2715
297.9732 150.3284
298.4553 141.7091
298.9374 131.3463
299.4196 120.9638
299.9017 111.6518
300.3838 103.7072
300.8659 98.07667
301.3480 95.57513
301.8301 95.43688
302.3123 96.45798
302.7944 98.67117
303.2765 102.6663
303.7586 108.8236
304.2407 117.1108
304.7228 127.5453
305.2050 139.2747
305.6871 153.9808
306.1692 172.7667
306.6513 195.8395
307.1334 223.0003
307.6155 254.2800
308.0977 289.8279
308.5798 329.7210
309.0619 374.1396
309.5440 423.4556
310.0261 481.9806
310.5082 546.5869
310.9904 607.5151
311.4725 675.4368
311.9546 729.4056
312.4367 751.0402
312.9188 735.9363
313.4009 693.4160
313.8831 612.1714
314.3652 508.6745
314.8473 412.8868
315.3294 331.7104
315.8115 265.3999
316.2936 215.5879
316.7758 183.5559
317.2579 160.0080
317.7400 142.2397
318.2221 130.1096
318.7042 123.0018
319.1863 122.7752
319.6685 125.7160
320.1506 130.1830
320.6327 136.0817
321.1148 145.1065
321.5969 158.9720
322.0790 175.4820
322.5612 193.1296
323.0433 212.4126
323.5254 231.7737
324.0075 254.3082
324.4896 278.5787
324.9717 293.1614
325.4539 296.3145
325.9360 289.4109
326.4181 273.0508
326.9002 236.8357
327.3823 204.4210
327.8644 176.0860
328.3466 152.3237
328.8287 134.7885
329.3108 126.2255
329.7929 121.5624
330.2750 119.1673
330.7571 118.6152
331.2393 121.2005
331.7214 127.1707
332.2035 136.3067
332.6856 148.0476
333.1677 162.1767
333.6498 179.2770
334.1320 200.1156
334.6141 224.7027
335.0962 249.8526
335.5783 276.2442
336.0604 302.5628
336.5425 327.6436
337.0247 350.9645
337.5068 374.4972
337.9889 398.3248
338.4710 422.5962
338.9531 449.5837
339.4352 479.3853
339.9173 512.1860
340.3994 547.4985
340.8816 585.3907
341.3637 626.8228
341.8458 671.8998
342.3279 720.8487
342.8100 776.1595
343.2921 836.9776
343.7743 906.7286
344.2564 984.9529
344.7385 1072.605
345.2206 1173.627
345.7027 1288.216
346.1848 1419.037
346.6670 1567.779
347.1491 1734.972
347.6312 1928.036
348.1133 2157.491
348.5954 2416.779
349.0775 2690.056
349.5597 2980.711
350.0418 3275.997
350.5239 3585.678
351.0060 3893.978
351.4881 4141.609
351.9702 4335.166
352.4524 4437.620
352.9345 4370.816
353.4166 4143.837
353.8987 3836.210
354.3808 3455.732
354.8629 3046.976
355.3451 2682.758
355.8272 2375.892
356.3093 2121.964
356.7914 1923.928
357.2735 1775.585
357.7556 1665.327
358.2378 1598.265
358.7199 1560.468
359.2020 1542.260
359.6841 1543.116
360.1662 1559.838
360.6483 1590.852
361.1305 1636.497
361.6126 1697.312
362.0947 1769.524
362.5768 1860.515
363.0589 1971.935
363.5410 2103.941
364.0232 2262.856
364.5053 2448.659
364.9874 2663.433
365.4695 2908.761
365.9516 3190.369
366.4337 3496.825
366.9159 3839.509
367.3980 4210.117
367.8801 4577.307
368.3622 4966.026
368.8443 5323.464
369.3264 5632.425
369.8086 5933.791
370.2907 6110.170
370.7728 6158.277
371.2549 6083.177
371.7370 5887.495
372.2191 5522.337
372.7013 5100.533
373.1834 4638.440
373.6655 4125.621
374.1476 3649.633
374.6297 3215.921
375.1118 2825.552
375.5940 2483.522
376.0761 2196.486
376.5582 1947.024
377.0403 1734.383
377.5224 1557.982
378.0045 1407.777
378.4867 1288.375
378.9688 1187.543
379.4509 1099.787
379.9330 1025.924
380.4151 961.9235
380.8972 908.8715
381.3794 863.9592
381.8615 826.8652
382.3436 796.8423
382.8257 763.8831
383.3078 722.6858
383.7899 674.6583
384.2721 621.2123
384.7542 562.0599
385.2363 503.5627
385.7184 450.0375
386.2005 402.1182
386.6826 358.3461
387.1648 318.1334
387.6469 282.8836
388.1290 254.9647
388.6111 233.8683
389.0932 215.9634
389.5753 199.5088
390.0575 184.5206
390.5396 170.7053
391.0217 157.8198
391.5038 146.2740
391.9859 136.5067
392.4680 128.2660
392.9502 120.9536
393.4323 115.1444
393.9144 109.6058
394.3965 103.5698
394.8786 96.92046
395.3607 90.66600
395.8429 85.36295
396.3250 80.45987
396.8071 75.44200
397.2892 69.53285
397.7713 64.19408
398.2534 60.03101
398.7356 56.81786
399.2177 53.55308
399.6998 49.97456
400.1819 46.46062
400.6640 43.13373
401.1461 39.83366
401.6283 37.05910
402.1104 34.90381
402.5925 33.23630
403.0746 31.88659
403.5567 31.19917
404.0388 30.19234
404.5210 28.50206
405.0031 26.14429
405.4852 24.11250
405.9673 22.38599
406.4494 20.97784
406.9315 20.11193
407.4137 19.93208
407.8958 18.96882
408.3779 16.64941
408.8600 13.77950
409.3421 12.70761
409.8242 13.56268
410.3064 14.18440
410.7885 12.85318
411.2706 10.05567
411.7527 8.275986
412.2348 7.698769
412.7169 7.665527
413.1991 7.760201
413.6812 7.861298
414.1633 7.532982
414.6454 6.378654
415.1275 4.895073
415.6096 3.770622
416.0918 2.966362
416.5739 2.110252
417.0560 0.7155610
417.5381 0.7755970
418.0202 1.777306
418.5023 1.970146
418.9845 2.187889
419.4666 3.218147
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