#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:15 +0300 (Thu, 24 May 2018) $
#$Revision: 901 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000379.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_1000379
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 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            R060449.rod
_rod_data_source.block           3500000
_rod_database.code               1000379
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
94.61664 0.0000000E+00
95.09875 0.4633710
95.58087 0.3220860
96.06299 5.1116999E-02
96.54510 0.4138260
97.02722 0.6176410
97.50933 0.5444410
97.99145 0.4698640
98.47356 0.9386630
98.95568 1.531059
99.43780 1.873951
99.91991 2.035851
100.4020 1.824348
100.8841 1.473583
101.3663 0.9687920
101.8484 0.3337630
102.3305 0.1687360
102.8126 0.2385670
103.2947 0.3092040
103.7768 0.6552010
104.2590 0.5378610
104.7411 0.2401500
105.2232 0.1088180
105.7053 0.2183570
106.1874 0.3897840
106.6695 0.4010160
107.1517 0.2964610
107.6338 0.2232890
108.1159 0.2471200
108.5980 0.3503270
109.0801 0.4623280
109.5622 0.5641210
110.0444 0.6764530
110.5265 0.8403220
111.0086 1.082491
111.4907 1.264309
111.9728 1.168797
112.4549 0.6657430
112.9371 0.3457110
113.4192 0.4801900
113.9013 0.7754330
114.3834 0.9860120
114.8655 1.033070
115.3476 0.9874610
115.8298 1.032082
116.3119 1.235405
116.7940 1.443228
117.2761 1.743696
117.7582 2.022785
118.2403 2.103504
118.7225 1.802349
119.2046 1.185486
119.6867 0.8654380
120.1688 0.8991810
120.6509 1.069345
121.1330 1.428724
121.6152 1.910372
122.0973 2.278072
122.5794 2.341654
123.0615 2.089266
123.5436 1.777531
124.0257 1.241625
124.5079 0.7388190
124.9900 0.5642950
125.4721 0.7780340
125.9542 1.071682
126.4363 1.158566
126.9184 1.107565
127.4006 1.063623
127.8827 1.101299
128.3648 1.190485
128.8469 1.228386
129.3290 1.155205
129.8111 1.104406
130.2932 1.222931
130.7754 1.452789
131.2575 1.593201
131.7396 1.407852
132.2217 0.8414400
132.7038 0.4530640
133.1859 0.4170820
133.6681 0.4489610
134.1502 0.4551240
134.6323 0.4145680
135.1144 0.3435020
135.5965 0.2602080
136.0786 0.1550670
136.5608 5.5311002E-02
137.0429 7.0408002E-02
137.5250 0.1745380
138.0071 0.2144660
138.4892 0.1795390
138.9713 9.6382000E-02
139.4535 1.7424000E-02
139.9356 0.1028080
140.4177 0.1630950
140.8998 5.6715000E-02
141.3819 9.8885000E-02
141.8640 0.1064240
142.3462 0.1534400
142.8283 0.5723630
143.3104 0.7709670
143.7925 0.6487030
144.2746 0.4764980
144.7567 0.3143410
145.2388 0.1695230
145.7210 0.1473260
146.2031 0.3870490
146.6852 0.8168390
147.1673 1.286087
147.6494 1.804068
148.1315 2.314310
148.6137 2.815311
149.0958 3.255659
149.5779 3.743383
150.0600 4.285324
150.5421 5.034994
151.0242 6.172220
151.5064 7.831728
151.9885 9.785908
152.4706 11.65408
152.9527 13.46147
153.4348 14.75323
153.9169 15.27177
154.3991 15.35052
154.8812 15.37276
155.3633 15.54495
155.8454 15.83918
156.3275 16.09203
156.8096 16.16929
157.2918 16.36056
157.7739 16.73989
158.2560 17.27199
158.7381 17.87999
159.2202 18.49815
159.7023 19.11841
160.1845 19.93743
160.6666 21.12942
161.1487 22.37728
161.6308 23.47443
162.1129 24.46655
162.5950 25.53847
163.0772 26.82570
163.5593 28.35868
164.0414 30.22308
164.5235 32.32717
165.0056 34.77472
165.4877 37.41325
165.9698 40.28056
166.4520 43.89878
166.9341 48.77343
167.4162 54.96281
167.8983 62.43229
168.3804 69.48058
168.8625 78.53059
169.3447 92.23320
169.8268 110.7959
170.3089 134.5419
170.7910 166.6145
171.2731 204.8359
171.7552 242.3277
172.2374 285.9195
172.7195 327.3608
173.2016 341.6174
173.6837 318.0137
174.1658 276.3747
174.6479 226.5376
175.1301 171.4468
175.6122 122.0830
176.0943 87.05312
176.5764 65.85954
177.0585 48.87269
177.5406 37.33825
178.0228 28.85118
178.5049 22.96742
178.9870 19.27140
179.4691 16.79173
179.9512 14.72829
180.4333 13.14242
180.9155 11.68324
181.3976 10.30769
181.8797 9.085321
182.3618 8.077505
182.8439 7.277317
183.3260 6.642370
183.8082 6.135874
184.2903 5.840643
184.7724 5.453808
185.2545 4.871937
185.7366 4.292271
186.2187 3.834108
186.7009 3.522139
187.1830 3.315632
187.6651 3.169781
188.1472 3.170321
188.6293 3.041483
189.1114 2.740612
189.5936 2.340570
190.0757 1.838890
190.5578 1.244049
191.0399 0.6974960
191.5220 0.4467300
192.0041 0.6095410
192.4863 0.7465290
192.9684 0.8506110
193.4505 0.8943650
193.9326 0.7974890
194.4147 0.5074080
194.8968 0.1819500
195.3790 0.1434380
195.8611 0.4217220
196.3432 0.6141990
196.8253 0.5328730
197.3074 0.2846280
197.7895 0.1063180
198.2717 7.6044001E-02
198.7538 0.1036340
199.2359 6.2674999E-02
199.7180 4.6726000E-02
200.2001 0.1269050
200.6822 9.5233999E-02
201.1644 1.7859001E-02
201.6465 5.8713999E-02
202.1286 7.4588999E-02
202.6107 0.2119260
203.0928 0.1718560
203.5749 4.4505998E-02
204.0571 0.2466180
204.5392 0.2714770
205.0213 0.1217480
205.5034 2.4281999E-02
205.9855 0.1877230
206.4676 0.2906130
206.9497 0.2634160
207.4319 0.1109830
207.9140 7.8319997E-02
208.3961 0.1710780
208.8782 0.1198960
209.3603 0.2657910
209.8424 0.9133870
210.3246 1.570259
210.8067 1.957256
211.2888 2.067156
211.7709 2.117901
212.2530 2.398623
212.7351 2.814104
213.2173 3.652956
213.6994 5.017220
214.1815 6.666182
214.6636 8.596493
215.1457 10.73498
215.6278 12.90204
216.1100 14.92791
216.5921 17.02637
217.0742 18.41011
217.5563 18.72016
218.0384 18.68602
218.5205 18.66351
219.0027 18.77445
219.4848 19.03894
219.9669 19.46541
220.4490 20.04689
220.9311 20.87019
221.4132 21.95616
221.8954 23.24749
222.3775 24.71015
222.8596 26.31501
223.3417 28.02161
223.8238 29.79986
224.3059 31.62791
224.7881 33.80647
225.2702 36.23398
225.7523 39.02023
226.2344 42.21498
226.7165 45.85602
227.1986 50.04725
227.6807 55.02861
228.1629 60.97418
228.6450 66.84935
229.1271 72.20337
229.6092 77.64936
230.0913 83.06421
230.5734 88.33707
231.0556 95.41264
231.5377 106.0017
232.0198 120.0151
232.5019 139.3219
232.9840 165.5120
233.4661 196.6112
233.9483 234.0295
234.4304 279.9074
234.9125 320.0309
235.3946 342.3366
235.8767 348.2521
236.3588 334.9654
236.8410 289.4565
237.3231 228.3919
237.8052 174.5221
238.2873 128.8448
238.7694 91.94653
239.2515 66.87703
239.7337 50.71495
240.2158 38.62163
240.6979 30.25516
241.1800 24.62781
241.6621 20.16939
242.1442 17.05370
242.6264 14.56858
243.1085 12.25232
243.5906 10.20654
244.0727 8.702576
244.5548 8.050362
245.0369 7.930136
245.5191 7.681032
246.0012 7.279028
246.4833 6.800602
246.9654 6.221338
247.4475 5.609488
247.9296 5.053934
248.4117 4.590952
248.8939 4.204744
249.3760 3.869551
249.8581 3.611380
250.3402 3.380079
250.8223 3.123671
251.3044 2.889719
251.7866 2.733377
252.2687 2.677822
252.7508 2.697712
253.2329 2.759697
253.7150 2.884708
254.1971 3.039703
254.6793 3.173569
255.1614 3.333437
255.6435 3.563251
256.1256 3.883671
256.6077 4.306452
257.0898 4.828350
257.5720 5.345949
258.0541 6.188128
258.5362 7.036949
259.0183 8.358437
259.5004 10.46987
259.9825 13.47815
260.4647 17.43953
260.9468 22.48833
261.4289 28.76886
261.9110 36.04438
262.3931 45.61127
262.8752 55.19989
263.3574 64.14434
263.8395 71.91061
264.3216 76.61613
264.8037 74.89891
265.2858 63.46183
265.7679 51.76139
266.2501 38.22450
266.7322 25.68325
267.2143 16.26449
267.6964 10.28228
268.1785 6.494633
268.6606 3.364948
269.1428 0.9585040
269.6249 0.8351940
270.1070 1.828495
270.5891 2.490997
271.0712 3.032131
271.5533 3.509567
272.0355 3.917099
272.5176 4.236725
272.9997 4.436821
273.4818 4.681908
273.9639 5.171307
274.4460 5.529499
274.9282 5.487694
275.4103 5.099350
275.8924 4.631878
276.3745 4.323215
276.8566 4.189831
277.3387 4.056778
277.8208 3.911724
278.3029 3.777332
278.7851 3.732239
279.2672 3.717045
279.7493 3.549480
280.2314 3.060879
280.7135 2.270840
281.1956 1.778278
281.6778 1.905399
282.1599 1.926044
282.6420 1.506107
283.1241 0.7863350
283.6062 0.1192170
284.0883 0.2647170
284.5705 0.4537350
285.0526 0.9488600
285.5347 1.845318
286.0168 2.883228
286.4989 3.990845
286.9810 5.202087
287.4632 6.559898
287.9453 8.079983
288.4274 9.785103
288.9095 11.78652
289.3916 13.99831
289.8737 16.58134
290.3559 19.39491
290.8380 22.63551
291.3201 26.66831
291.8022 31.64768
292.2843 37.12256
292.7664 42.38415
293.2486 47.33480
293.7307 52.24370
294.2128 58.03361
294.6949 63.37823
295.1770 66.96716
295.6591 68.50142
296.1413 68.15115
296.6234 65.92032
297.1055 61.31028
297.5876 56.46331
298.0697 50.99445
298.5518 45.59951
299.0340 40.67331
299.5161 36.33436
299.9982 32.84519
300.4803 30.50114
300.9624 29.45454
301.4445 28.98295
301.9267 28.95811
302.4088 29.58894
302.8909 30.94178
303.3730 33.05165
303.8551 36.02785
304.3372 39.93333
304.8194 44.86035
305.3015 50.94231
305.7836 57.53354
306.2657 65.77415
306.7478 75.78239
307.2299 87.80843
307.7121 102.7062
308.1942 121.1293
308.6763 142.5353
309.1584 165.0347
309.6405 190.7017
310.1227 214.2433
310.6048 237.9559
311.0869 257.9676
311.5690 266.2197
312.0511 259.3120
312.5332 240.6985
313.0154 214.7902
313.4975 178.4346
313.9796 145.4300
314.4617 117.9878
314.9438 95.58718
315.4259 77.70146
315.9081 64.32780
316.3902 54.57646
316.8723 47.77600
317.3544 44.25979
317.8365 41.96708
318.3186 40.61824
318.8007 40.50988
319.2828 41.93189
319.7650 44.91129
320.2471 49.23896
320.7292 54.78208
321.2113 61.66013
321.6934 69.68893
322.1755 80.29720
322.6577 90.82191
323.1398 100.7776
323.6219 109.5549
324.1040 115.2348
324.5861 116.5808
325.0682 113.7208
325.5504 107.9136
326.0325 96.21104
326.5146 85.30029
326.9967 76.94477
327.4788 70.99426
327.9609 67.28357
328.4431 65.79018
328.9252 66.44480
329.4073 69.36892
329.8894 74.88499
330.3715 81.49130
330.8536 89.00143
331.3358 97.41972
331.8179 107.0894
332.3000 118.1292
332.7821 129.4724
333.2642 139.8789
333.7463 149.2844
334.2285 157.5151
334.7106 163.4742
335.1927 168.9200
335.6748 175.1730
336.1569 182.3480
336.6390 190.0070
337.1212 197.5298
337.6033 204.9609
338.0854 214.5357
338.5675 226.4829
339.0496 240.1557
339.5317 255.0419
340.0139 271.3842
340.4960 289.7355
340.9781 310.4231
341.4602 333.3361
341.9423 358.0298
342.4244 381.6645
342.9066 410.0114
343.3887 443.0294
343.8708 481.8468
344.3529 526.9898
344.8350 578.3732
345.3171 638.1276
345.7993 709.8536
346.2814 792.2062
346.7635 892.6353
347.2456 1012.694
347.7277 1149.283
348.2098 1304.821
348.6920 1476.524
349.1741 1656.408
349.6562 1837.758
350.1383 2030.577
350.6204 2169.605
351.1025 2273.562
351.5847 2317.407
352.0668 2276.205
352.5489 2161.477
353.0310 1999.239
353.5131 1803.180
353.9952 1578.986
354.4774 1382.176
354.9595 1213.445
355.4416 1071.400
355.9237 960.0611
356.4058 874.5234
356.8879 809.4968
357.3701 762.9082
357.8522 732.4823
358.3343 712.8745
358.8164 708.8384
359.2985 709.6303
359.7806 712.9487
360.2627 721.8389
360.7448 737.7224
361.2270 761.3737
361.7091 793.6085
362.1912 834.9724
362.6733 884.2543
363.1554 949.1507
363.6375 1029.255
364.1197 1123.776
364.6018 1231.112
365.0839 1353.197
365.5660 1493.006
366.0481 1654.169
366.5302 1834.688
367.0124 2020.278
367.4945 2227.800
367.9766 2417.158
368.4587 2599.746
368.9408 2753.150
369.4229 2855.253
369.9051 2896.709
370.3872 2878.163
370.8693 2794.463
371.3514 2628.333
371.8335 2438.579
372.3156 2210.010
372.7978 1977.953
373.2799 1755.785
373.7620 1549.468
374.2441 1362.479
374.7262 1200.050
375.2083 1062.684
375.6905 943.7457
376.1726 847.3645
376.6547 766.9868
377.1368 700.7000
377.6189 646.8716
378.1010 603.5981
378.5832 570.4853
379.0653 546.3262
379.5474 528.3693
380.0295 517.9070
380.5116 510.4102
380.9937 509.5584
381.4759 508.2120
381.9580 499.8914
382.4401 483.1727
382.9222 458.3266
383.4043 423.0564
383.8864 377.4048
384.3686 333.0649
384.8507 290.9095
385.3328 252.9320
385.8149 219.6262
386.2970 191.1656
386.7791 167.0597
387.2613 148.2951
387.7434 133.8233
388.2255 121.2983
388.7076 110.8162
389.1897 101.6121
389.6718 93.30634
390.1540 85.87753
390.6361 79.47365
391.1182 74.58104
391.6003 70.24911
392.0824 65.47104
392.5645 60.34358
393.0467 55.94750
393.5288 52.91349
394.0109 50.69751
394.4930 48.26733
394.9751 45.57272
395.4572 42.88736
395.9394 40.30363
396.4215 37.80545
396.9036 35.38121
397.3857 32.99962
397.8678 30.74292
398.3499 28.66746
398.8321 26.78938
399.3142 25.11257
399.7963 23.77399
400.2784 22.50562
400.7605 21.01371
401.2426 19.38338
401.7247 18.03352
402.2068 17.27739
402.6890 16.94437
403.1711 16.26665
403.6532 14.78823
404.1353 13.59204
404.6174 13.07796
405.0995 12.87523
405.5817 12.48767
406.0638 11.77995
406.5459 11.05309
407.0280 10.77625
407.5101 11.23548
407.9922 11.16828
408.4744 10.33990
408.9565 9.272568
409.4386 8.017746
409.9207 6.727833
410.4028 5.754562
410.8849 5.412155
411.3671 5.604546
411.8492 5.453396
412.3313 4.607018
412.8134 3.840569
413.2955 3.249817
413.7776 2.791977
414.2598 2.468422
414.7419 2.265930
415.2240 2.047665
415.7061 1.565056
416.1882 0.6932790
416.6703 1.6341999E-02
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