#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:48 +0300 (Thu, 24 May 2018) $
#$Revision: 726 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000231.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_1000231
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        R060358
_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            R060358.rod
_rod_data_source.block           3500000
_rod_database.code               1000231
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
91.62726 0.0000000E+00
92.10938 2.916388
92.59149 2.554080
93.07361 2.317445
93.55573 2.161071
94.03784 2.039986
94.51996 1.929967
95.00208 1.832680
95.48419 1.771748
95.96631 1.793839
96.44843 1.848859
96.93054 1.803938
97.41266 1.619601
97.89478 1.382725
98.37689 1.309120
98.85901 1.390925
99.34113 1.440662
99.82324 1.379010
100.3054 1.191961
100.7875 1.070641
101.2696 1.120433
101.7517 1.429292
102.2338 1.809188
102.7159 1.894396
103.1981 1.605131
103.6802 1.279007
104.1623 0.9692300
104.6444 0.9007200
105.1265 1.011226
105.6086 1.299085
106.0908 1.364279
106.5729 1.059396
107.0550 0.7017630
107.5371 0.4742210
108.0192 0.4756000
108.5013 0.4580980
108.9835 0.4065170
109.4656 0.3202930
109.9477 0.2097390
110.4298 6.4432003E-02
110.9119 9.9780001E-02
111.3940 0.2716080
111.8762 0.5498480
112.3583 0.7358790
112.8404 0.7892330
113.3225 0.7022480
113.8046 0.5497060
114.2867 0.2088220
114.7689 0.1519840
115.2510 0.3460840
115.7331 0.1757560
116.2152 3.3103999E-02
116.6973 0.1911860
117.1794 0.3101800
117.6616 0.2843720
118.1437 0.1013660
118.6258 0.6488260
119.1079 1.009655
119.5900 0.7963190
120.0721 0.5078080
120.5543 0.5020430
121.0364 0.9338660
121.5185 1.404410
122.0006 1.649972
122.4827 1.732628
122.9648 1.839541
123.4470 2.154129
123.9291 2.520720
124.4112 2.744401
124.8933 2.706489
125.3754 2.625072
125.8575 2.732701
126.3397 3.006298
126.8218 3.306004
127.3039 3.422840
127.7860 3.491509
128.2681 3.808705
128.7502 4.615053
129.2324 5.603333
129.7145 6.214428
130.1966 6.451789
130.6787 6.573106
131.1608 6.821102
131.6429 7.164103
132.1251 7.461370
132.6072 7.631121
133.0893 7.718947
133.5714 7.916475
134.0535 8.245790
134.5356 8.584602
135.0178 8.818087
135.4999 8.944840
135.9820 8.910437
136.4641 8.563043
136.9462 7.920324
137.4283 7.689534
137.9105 7.961206
138.3926 8.482660
138.8747 8.840184
139.3568 9.011039
139.8389 9.130430
140.3210 9.235408
140.8032 9.311296
141.2853 9.454043
141.7674 9.654999
142.2495 9.928007
142.7316 10.30964
143.2137 10.80872
143.6959 11.12876
144.1780 11.22468
144.6601 10.95253
145.1422 10.94613
145.6243 11.12796
146.1064 11.59144
146.5886 12.24991
147.0707 13.14494
147.5528 13.93697
148.0349 14.42896
148.5170 14.33852
148.9991 14.24423
149.4813 14.14390
149.9634 14.09813
150.4455 14.46656
150.9276 15.31703
151.4097 16.50561
151.8918 17.90915
152.3740 19.20440
152.8561 21.09567
153.3382 23.79131
153.8203 27.25965
154.3024 30.85523
154.7845 34.97199
155.2667 38.93022
155.7488 42.28355
156.2309 44.68499
156.7130 46.69672
157.1951 48.32997
157.6772 49.56924
158.1594 50.83316
158.6415 52.08054
159.1236 53.43110
159.6057 55.00881
160.0878 56.73833
160.5699 58.75563
161.0521 61.18322
161.5342 64.04625
162.0163 67.02887
162.4984 69.90847
162.9805 72.87130
163.4626 76.15196
163.9448 79.91251
164.4269 83.94541
164.9090 88.06940
165.3911 92.17533
165.8732 96.87477
166.3553 102.1931
166.8375 108.3239
167.3196 115.5918
167.8017 122.7666
168.2838 131.9488
168.7659 144.4454
169.2480 160.1962
169.7302 180.0078
170.2123 203.7901
170.6944 232.1012
171.1765 265.6809
171.6586 309.2717
172.1407 356.4372
172.6229 405.3823
173.1050 461.3740
173.5871 502.9256
174.0692 511.2714
174.5513 489.8593
175.0334 448.0859
175.5156 375.1457
175.9977 289.2906
176.4798 217.9649
176.9619 165.2959
177.4440 125.7429
177.9261 96.43866
178.4083 76.26687
178.8904 61.17524
179.3725 50.21378
179.8546 42.33259
180.3367 35.88173
180.8188 30.72095
181.3010 26.58187
181.7831 23.34756
182.2652 20.98138
182.7473 18.97914
183.2294 16.98740
183.7115 15.08406
184.1937 13.57880
184.6758 12.61171
185.1579 11.94942
185.6400 11.15655
186.1221 10.24497
186.6042 9.361206
187.0864 8.650749
187.5685 8.078255
188.0506 7.521959
188.5327 6.967020
189.0148 6.399574
189.4969 5.714586
189.9791 4.906130
190.4612 4.171537
190.9433 3.740013
191.4254 3.573442
191.9075 3.306349
192.3896 2.795940
192.8718 2.164726
193.3539 1.787224
193.8360 1.684898
194.3181 1.646843
194.8002 1.459259
195.2823 1.126518
195.7645 0.8801250
196.2466 0.8215960
196.7287 0.8790800
197.2108 0.7141570
197.6929 0.2773440
198.1750 0.1576840
198.6572 0.2529450
199.1393 1.5997000E-02
199.6214 8.2971998E-02
200.1035 0.2882420
200.5856 0.9849170
201.0677 1.298796
201.5499 1.163206
202.0320 0.8723660
202.5141 0.6986200
202.9962 0.6518650
203.4783 0.6502670
203.9604 0.7140200
204.4426 0.8201850
204.9247 0.7308580
205.4068 0.3772660
205.8889 2.8130000E-03
206.3710 0.1180250
206.8531 7.0997000E-02
207.3353 0.2242220
207.8174 0.2818530
208.2995 0.2419910
208.7816 7.6208003E-02
209.2637 0.2095970
209.7458 0.6242330
210.2280 1.183506
210.7101 1.900681
211.1922 2.712809
211.6743 3.612871
212.1564 4.591305
212.6385 5.646954
213.1207 6.743488
213.6028 7.952103
214.0849 9.298557
214.5670 10.71470
215.0491 12.58569
215.5313 14.86023
216.0134 17.54637
216.4955 21.38034
216.9776 26.77082
217.4597 32.79310
217.9418 38.67164
218.4240 44.45535
218.9061 49.74871
219.3882 54.41632
219.8703 58.40443
220.3524 62.13810
220.8345 65.43983
221.3167 68.73209
221.7988 72.43207
222.2809 76.53076
222.7630 80.86309
223.2451 85.13499
223.7272 89.36054
224.2094 95.00880
224.6915 102.6858
225.1736 111.2116
225.6557 119.0161
226.1378 125.2114
226.6199 132.8330
227.1021 142.6213
227.5842 154.6911
228.0663 167.2265
228.5484 180.4409
229.0305 194.0748
229.5126 207.8961
229.9948 221.7133
230.4769 235.9471
230.9590 250.1418
231.4411 264.2484
231.9232 281.6756
232.4053 301.2393
232.8875 325.6357
233.3696 357.4627
233.8517 398.1248
234.3338 444.0504
234.8159 498.9085
235.2980 562.6874
235.7802 612.4422
236.2623 657.3283
236.7444 678.3832
237.2265 656.8587
237.7086 572.9703
238.1907 484.2373
238.6729 393.6718
239.1550 302.3176
239.6371 228.9825
240.1192 177.7041
240.6013 139.8244
241.0834 109.7938
241.5656 90.09956
242.0477 73.95975
242.5298 61.03867
243.0119 51.18965
243.4940 42.99468
243.9761 36.77580
244.4583 31.82879
244.9404 27.70498
245.4225 24.52518
245.9046 21.92285
246.3867 19.88480
246.8688 18.39055
247.3510 17.37012
247.8331 17.18198
248.3152 17.00877
248.7973 16.26977
249.2794 14.54481
249.7615 13.13762
250.2437 12.18139
250.7258 11.62383
251.2079 11.24804
251.6900 11.06546
252.1721 11.04839
252.6542 11.17820
253.1364 11.43111
253.6185 11.88673
254.1006 12.62183
254.5827 13.55673
255.0648 14.34877
255.5469 14.79333
256.0291 15.36596
256.5112 16.34731
256.9933 17.86588
257.4754 19.54031
257.9575 21.22638
258.4396 23.05194
258.9218 25.28957
259.4039 27.69009
259.8860 31.08734
260.3681 35.90503
260.8502 42.32863
261.3323 49.72595
261.8145 58.16010
262.2966 67.47466
262.7787 77.62252
263.2608 89.05602
263.7429 100.4988
264.2250 112.8561
264.7072 128.3152
265.1893 135.0254
265.6714 131.7062
266.1535 120.6089
266.6356 104.4665
267.1177 80.60250
267.5999 58.38340
268.0820 41.28939
268.5641 29.56119
269.0462 20.23711
269.5283 13.52763
270.0104 8.841022
270.4926 5.358849
270.9747 3.266582
271.4568 1.633675
271.9389 0.2184600
272.4210 0.9871900
272.9031 2.032063
273.3853 2.886734
273.8674 3.635174
274.3495 4.391701
274.8316 5.194599
275.3137 5.827076
275.7958 6.223282
276.2780 6.390976
276.7601 6.398190
277.2422 6.176926
277.7243 5.971088
278.2064 6.117386
278.6885 6.677990
279.1707 7.049007
279.6528 7.072666
280.1349 6.793591
280.6170 6.421551
281.0991 5.945805
281.5812 5.413891
282.0634 4.903107
282.5455 4.406391
283.0276 3.767178
283.5097 2.886681
283.9918 1.881432
284.4739 1.169628
284.9561 0.7890590
285.4382 0.4178500
285.9203 0.1610720
286.4024 0.9375570
286.8845 1.881016
287.3666 2.985924
287.8488 4.234135
288.3309 5.511387
288.8130 6.810829
289.2951 8.392887
289.7772 10.42809
290.2593 12.88142
290.7415 15.68258
291.2236 18.78631
291.7057 22.24410
292.1878 26.05963
292.6699 30.24610
293.1520 34.98898
293.6342 40.41796
294.1163 46.49035
294.5984 53.18980
295.0805 60.82811
295.5626 67.99422
296.0447 72.90076
296.5269 75.80908
297.0090 77.99276
297.4911 79.98708
297.9732 81.67665
298.4553 82.55171
298.9374 82.53618
299.4196 82.47150
299.9017 82.98874
300.3838 84.10355
300.8659 85.86996
301.3480 88.20010
301.8301 91.23554
302.3123 95.12624
302.7944 99.90718
303.2765 105.5916
303.7586 111.9253
304.2407 119.2241
304.7228 128.1627
305.2050 138.4017
305.6871 150.8831
306.1692 166.2219
306.6513 184.5379
307.1334 205.3638
307.6155 228.4624
308.0977 254.1045
308.5798 282.7947
309.0619 315.5738
309.5440 350.3806
310.0261 387.4806
310.5082 425.7118
310.9904 461.3888
311.4725 499.7864
311.9546 531.2185
312.4367 547.7616
312.9188 548.3301
313.4009 533.4924
313.8831 496.8653
314.3652 445.4864
314.8473 392.2051
315.3294 335.5645
315.8115 283.1535
316.2936 239.3719
316.7758 204.8539
317.2579 177.5952
317.7400 157.9967
318.2221 144.6390
318.7042 135.2421
319.1863 130.1327
319.6685 127.9285
320.1506 128.1277
320.6327 130.7006
321.1148 135.8082
321.5969 144.4775
322.0790 155.1577
322.5612 166.7574
323.0433 180.1250
323.5254 193.1503
324.0075 207.4103
324.4896 222.0743
324.9717 230.5504
325.4539 231.8439
325.9360 226.7347
326.4181 215.5801
326.9002 192.7399
327.3823 171.0441
327.8644 150.2614
328.3466 131.0285
328.8287 115.3121
329.3108 103.7280
329.7929 95.04373
330.2750 89.09261
330.7571 86.34642
331.2393 85.08010
331.7214 85.26183
332.2035 86.95567
332.6856 90.25591
333.1677 95.56169
333.6498 101.9646
334.1320 109.4354
334.6141 117.9264
335.0962 126.8569
335.5783 136.5585
336.0604 146.3297
336.5425 155.4852
337.0247 163.7229
337.5068 172.2007
337.9889 181.0950
338.4710 190.4418
338.9531 200.7341
339.4352 211.9770
339.9174 224.3510
340.3995 237.7573
340.8816 252.2557
341.3637 268.1886
341.8458 285.7291
342.3279 304.7189
342.8101 325.5631
343.2922 347.9455
343.7743 373.0879
344.2564 401.0493
344.7385 432.1137
345.2206 466.4453
345.7028 503.7717
346.1849 546.0304
346.6670 596.5746
347.1491 655.2610
347.6312 719.6235
348.1133 790.0996
348.5955 865.8124
349.0776 945.4261
349.5597 1029.899
350.0418 1115.821
350.5239 1204.578
351.0060 1292.964
351.4882 1367.943
351.9703 1431.493
352.4524 1474.552
352.9345 1479.473
353.4166 1447.901
353.8987 1394.184
354.3809 1317.032
354.8630 1227.889
355.3451 1144.205
355.8272 1067.261
356.3093 1001.658
356.7914 951.9517
357.2736 916.6908
357.7557 893.2776
358.2378 882.2411
358.7199 881.4384
359.2020 889.6794
359.6841 907.1143
360.1663 931.7411
360.6484 962.5809
361.1305 999.8762
361.6126 1043.956
362.0947 1091.466
362.5768 1148.748
363.0590 1218.533
363.5411 1300.962
364.0232 1396.113
364.5053 1504.394
364.9874 1625.218
365.4695 1758.110
365.9517 1904.994
366.4338 2061.759
366.9159 2234.602
367.3980 2419.271
367.8801 2599.457
368.3622 2788.336
368.8444 2958.140
369.3265 3099.350
369.8086 3229.363
370.2907 3297.668
370.7728 3300.719
371.2549 3243.601
371.7371 3132.023
372.2192 2944.155
372.7013 2730.200
373.1834 2497.939
373.6655 2242.810
374.1476 2001.558
374.6298 1775.571
375.1119 1568.429
375.5940 1385.241
376.0761 1229.218
376.5582 1092.692
377.0403 975.6378
377.5225 877.4846
378.0046 791.4958
378.4867 719.9661
378.9688 658.0020
379.4509 603.7267
379.9330 557.6328
380.4152 516.2123
380.8973 479.8058
381.3794 447.5271
381.8615 419.6944
382.3436 395.8770
382.8257 373.0583
383.3079 349.7003
383.7900 326.0214
384.2721 301.5367
384.7542 276.2374
385.2363 251.5906
385.7184 228.3157
386.2006 206.8337
386.6827 186.9129
387.1648 168.4543
387.6469 151.9483
388.1290 138.2270
388.6111 127.1018
389.0933 117.1542
389.5754 106.9793
390.0575 97.58855
390.5396 90.23077
391.0217 85.49614
391.5038 81.42313
391.9860 76.69399
392.4681 71.65623
392.9502 66.86886
393.4323 62.62350
393.9144 58.69643
394.3965 55.03135
394.8787 51.60545
395.3608 48.37466
395.8429 45.24401
396.3250 42.30567
396.8071 39.62827
397.2892 37.41757
397.7714 35.25261
398.2535 33.07083
398.7356 30.87289
399.2177 28.71313
399.6998 26.28553
400.1819 24.15544
400.6641 22.60242
401.1462 21.98267
401.6283 21.21250
402.1104 20.27584
402.5925 19.19800
403.0746 17.95899
403.5568 16.34370
404.0389 14.96370
404.5210 14.05859
405.0031 13.62890
405.4852 12.97198
405.9673 12.04260
406.4495 11.01856
406.9316 9.955303
407.4137 8.813694
407.8958 7.776386
408.3779 6.848904
408.8600 6.066032
409.3422 5.633663
409.8243 5.579044
410.3064 5.376205
410.7885 4.491425
411.2706 3.138874
411.7527 2.366261
412.2349 2.271721
412.7170 2.379372
413.1991 2.153217
413.6812 1.669556
414.1633 1.192921
414.6454 0.8436660
415.1276 0.5342980
415.6097 0.1373210
416.0918 0.3321610
416.5739 0.7933920
417.0560 1.161983
417.5381 1.503586
418.0203 1.925774
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