#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:00:06 +0300 (Thu, 26 Apr 2018) $
#$Revision: 587 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000127.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_1000127
loop_
_publ_author_name
'Nagashima, M.'
'Akasada, M.'
_publ_section_title
;
 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on
 the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal
 synthesis Sample: q=0.5, run 21
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1237
_journal_page_last               1246
_journal_paper_doi               10.2138/am.2010.3418
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3'
_chemical_name_mineral           Epidote
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.455
_cell_angle_gamma                90
_cell_length_a                   8.8904
_cell_length_b                   5.6606
_cell_length_c                   10.1760
_cell_volume                     462.393
_exptl_crystal_density_diffrn    3.451
_cod_original_formula_sum        'Ca2 Al2.08 Fe.39 Mn.53 Si3 O13 H'
_cod_database_code               9015710
_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            R110127.rod
_rod_data_source.block           3500000
_rod_database.code               1000127
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 9015710 COD http://www.crystallography.net/cod/9015710.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
92.56775 0.0000000E+00
93.04987 28.08997
93.53198 68.18188
94.01410 93.48328
94.49622 102.9166
94.97833 102.7517
95.46045 97.84692
95.94257 87.36169
96.42468 76.63635
96.90680 67.74866
97.38892 61.12769
97.87103 53.74634
98.35315 47.81860
98.83527 38.03003
99.31738 28.86426
99.79950 20.98999
100.2816 13.82898
100.7637 6.318359
101.2458 0.4976810
101.7280 1.221436
102.2101 1.845093
102.6922 7.121948
103.1743 12.86145
103.6564 18.95007
104.1385 23.15320
104.6207 24.65747
105.1028 25.03687
105.5849 25.94873
106.0670 26.73743
106.5491 26.31860
107.0313 25.22095
107.5134 23.55188
107.9955 21.38501
108.4776 18.31592
108.9597 13.94080
109.4418 9.721680
109.9240 5.758179
110.4061 2.308594
110.8882 0.3593750
111.3703 2.163452
111.8524 3.245972
112.3345 3.941528
112.8167 4.003906
113.2988 3.961670
113.7809 4.112549
114.2630 4.183838
114.7451 3.807007
115.2272 2.736328
115.7094 1.001709
116.1915 0.7675780
116.6736 3.617920
117.1557 5.496338
117.6378 4.928833
118.1199 2.498779
118.6021 0.1993410
119.0842 0.3413090
119.5663 1.096069
120.0484 2.975830
120.5305 5.190918
121.0126 7.856689
121.4948 11.53577
121.9769 16.47705
122.4590 21.00427
122.9411 22.66882
123.4232 22.24512
123.9053 22.09644
124.3875 22.96619
124.8696 24.69177
125.3517 26.84937
125.8338 29.48425
126.3159 32.48035
126.7980 35.68311
127.2802 39.09863
127.7623 42.71655
128.2444 46.80859
128.7265 51.47913
129.2086 55.36633
129.6907 57.00110
130.1729 58.81030
130.6550 62.16150
131.1371 67.09631
131.6192 72.50000
132.1013 76.73364
132.5834 78.90051
133.0656 81.74341
133.5477 85.17773
134.0298 89.24438
134.5119 94.19165
134.9940 100.0421
135.4761 106.3752
135.9583 112.1740
136.4404 116.6388
136.9225 121.5306
137.4046 127.5142
137.8867 133.8910
138.3688 139.7445
138.8510 144.7761
139.3331 148.8142
139.8152 151.1731
140.2973 151.1871
140.7794 150.9399
141.2615 151.6560
141.7437 152.9977
142.2258 153.3662
142.7079 151.4124
143.1900 148.1387
143.6721 145.9325
144.1542 145.7136
144.6364 145.6351
145.1185 143.4569
145.6006 138.5532
146.0827 134.1909
146.5648 133.1165
147.0469 133.8724
147.5291 134.7349
148.0112 134.6534
148.4933 133.8743
148.9754 132.5607
149.4575 130.2683
149.9396 128.2336
150.4218 128.0122
150.9039 128.3380
151.3860 128.6743
151.8681 128.6691
152.3502 128.3578
152.8323 127.9791
153.3145 126.8186
153.7966 126.3334
154.2787 127.2881
154.7608 129.1589
155.2429 130.8248
155.7250 131.3019
156.2072 130.4199
156.6893 131.0143
157.1714 133.5486
157.6535 136.7748
158.1356 140.6394
158.6177 144.8436
159.0999 148.6584
159.5820 151.3024
160.0641 152.5876
160.5462 154.4044
161.0283 156.4791
161.5104 159.2395
161.9926 163.4526
162.4747 169.1776
162.9568 174.9669
163.4389 179.1637
163.9210 181.8542
164.4031 184.2839
164.8853 186.8655
165.3674 189.2495
165.8495 190.9578
166.3316 191.9934
166.8137 192.0754
167.2958 190.8672
167.7780 188.5541
168.2601 185.4668
168.7422 181.5385
169.2243 176.8779
169.7064 172.0192
170.1885 167.1432
170.6707 161.9629
171.1528 156.2957
171.6349 150.1763
172.1170 143.7726
172.5991 137.0487
173.0812 130.0099
173.5634 123.5602
174.0455 118.2755
174.5276 113.1053
175.0097 107.4661
175.4918 101.3899
175.9739 95.37402
176.4561 90.13904
176.9382 86.11743
177.4203 81.54102
177.9024 75.84998
178.3845 70.04993
178.8666 64.39954
179.3488 59.10083
179.8309 54.44702
180.3130 50.96411
180.7951 49.29932
181.2772 47.39258
181.7593 45.36707
182.2415 43.07996
182.7236 40.33167
183.2057 37.11133
183.6878 33.70740
184.1699 30.50903
184.6520 27.29272
185.1342 24.92249
185.6163 23.90344
186.0984 23.52856
186.5805 23.19885
187.0626 22.76538
187.5447 22.05713
188.0269 20.61511
188.5090 18.21948
188.9911 16.11426
189.4732 14.79846
189.9553 13.91626
190.4374 12.83484
190.9196 11.30005
191.4017 9.636108
191.8838 8.249878
192.3659 7.118530
192.8480 6.188965
193.3301 5.554321
193.8123 5.124878
194.2944 4.564209
194.7765 3.740723
195.2586 2.800171
195.7407 1.891602
196.2228 1.018066
196.7050 0.1794430
197.1871 0.7681880
197.6692 1.799194
198.1513 2.293701
198.6334 1.513306
199.1155 0.6604000
199.5977 0.4689940
200.0798 0.9920650
200.5619 1.978516
201.0440 3.528931
201.5261 5.883423
202.0082 7.189697
202.4904 6.249634
202.9725 4.849609
203.4546 3.756592
203.9367 3.097534
204.4188 2.633423
204.9009 2.085205
205.3831 1.416138
205.8652 0.7812500
206.3473 0.1468510
206.8294 0.8048100
207.3115 0.6175540
207.7936 0.3875730
208.2758 1.539917
208.7579 1.839478
209.2400 0.7117920
209.7221 3.0884000E-02
210.2042 0.1051030
210.6863 5.8959998E-02
211.1685 0.2055660
211.6506 0.6312260
212.1327 1.288452
212.6148 2.123047
213.0969 3.182617
213.5790 4.341187
214.0612 6.207031
214.5433 7.800537
215.0254 8.153442
215.5075 7.096069
215.9896 5.466431
216.4717 4.432129
216.9539 4.205566
217.4360 4.176758
217.9181 4.557983
218.4002 5.022339
218.8823 5.192261
219.3644 4.974365
219.8466 4.656128
220.3287 4.490601
220.8108 4.333496
221.2929 5.143066
221.7750 7.937256
222.2571 11.43640
222.7393 13.97241
223.2214 15.12134
223.7035 15.78113
224.1856 16.95093
224.6677 18.57495
225.1498 20.47742
225.6320 22.73438
226.1141 25.21716
226.5962 27.80042
227.0783 30.55957
227.5604 33.14197
228.0425 34.74963
228.5247 35.68066
229.0068 37.45508
229.4889 41.25476
229.9710 46.23584
230.4531 50.40417
230.9352 53.10962
231.4174 55.93860
231.8995 60.21936
232.3816 65.56311
232.8637 70.98669
233.3458 76.13867
233.8279 81.01758
234.3101 85.60071
234.7922 89.47229
235.2743 93.71899
235.7564 99.11548
236.2385 105.2637
236.7206 111.4243
237.2028 117.1937
237.6849 122.6132
238.1670 128.0519
238.6491 134.0699
239.1312 139.1672
239.6133 142.1918
240.0955 144.1117
240.5776 146.5698
241.0597 150.4982
241.5418 155.7317
242.0239 161.4194
242.5060 167.7234
242.9882 174.3531
243.4703 181.3253
243.9524 188.5214
244.4345 195.7773
244.9166 202.9645
245.3987 210.1777
245.8809 217.7363
246.3630 225.7548
246.8451 234.0194
247.3272 242.5212
247.8093 251.2173
248.2914 260.0122
248.7736 268.8627
249.2557 277.7896
249.7378 286.8232
250.2199 296.8860
250.7020 305.8738
251.1841 313.3307
251.6663 319.6215
252.1484 325.3538
252.6305 330.8785
253.1126 335.6182
253.5947 337.8184
254.0768 335.6227
254.5590 332.7378
255.0411 329.8229
255.5232 326.1573
256.0053 320.9363
256.4874 313.8995
256.9695 305.3234
257.4517 295.8414
257.9338 283.6462
258.4159 272.5476
258.8980 263.2849
259.3801 254.6899
259.8622 245.6335
260.3444 235.8474
260.8265 225.6289
261.3086 215.4670
261.7907 205.0145
262.2728 195.0002
262.7549 185.1028
263.2371 175.7646
263.7192 167.4724
264.2013 160.3386
264.6834 154.1543
265.1655 148.6285
265.6476 143.8246
266.1298 139.6414
266.6119 136.7958
267.0940 134.3003
267.5761 131.0426
268.0582 126.7919
268.5403 122.3514
269.0225 118.6532
269.5046 115.8899
269.9867 113.2679
270.4688 110.7739
270.9509 108.4326
271.4330 106.2614
271.9152 104.2699
272.3973 102.4774
272.8794 101.0288
273.3615 99.93799
273.8436 98.37122
274.3257 95.99646
274.8079 93.34961
275.2900 90.91956
275.7721 88.69971
276.2542 86.31360
276.7363 83.38269
277.2184 79.98254
277.7006 76.80859
278.1827 73.75537
278.6648 71.02917
279.1469 69.13904
279.6290 67.93860
280.1111 66.18628
280.5933 62.66699
281.0754 58.20959
281.5575 55.59827
282.0396 56.45691
282.5217 57.18542
283.0038 55.26404
283.4860 51.13159
283.9681 46.98499
284.4502 43.57861
284.9323 41.00171
285.4144 39.27722
285.8965 38.63672
286.3787 38.22522
286.8608 37.83740
287.3429 37.36047
287.8250 36.27930
288.3071 34.19775
288.7892 31.74390
289.2714 29.76221
289.7535 28.23877
290.2356 27.09473
290.7177 26.36841
291.1998 25.98962
291.6819 25.85950
292.1641 26.12598
292.6462 26.29114
293.1283 25.86401
293.6104 24.90369
294.0925 23.47693
294.5746 20.48193
295.0568 17.22839
295.5389 16.95154
296.0210 21.00232
296.5031 25.10925
296.9852 24.82104
297.4673 21.53821
297.9495 18.86926
298.4316 18.64124
298.9137 19.44495
299.3958 19.01453
299.8779 17.03088
300.3600 15.14294
300.8422 15.03955
301.3243 15.69592
301.8064 15.28687
302.2885 12.86072
302.7706 9.732056
303.2527 7.365967
303.7349 5.792603
304.2170 4.373901
304.6991 2.528809
305.1812 0.8463130
305.6633 0.2814940
306.1454 1.379395
306.6276 2.555786
307.1097 2.229736
307.5918 0.5004880
308.0739 0.9763180
308.5560 1.615479
309.0381 1.763306
309.5203 1.816772
310.0024 1.776611
310.4845 1.751221
310.9666 1.943359
311.4487 2.263062
311.9308 2.251343
312.4130 1.818970
312.8951 1.013672
313.3772 1.3550000E-02
313.8593 1.276123
314.3414 2.951904
314.8235 5.262817
315.3057 8.043457
315.7878 11.24414
316.2699 15.48218
316.7520 18.57361
317.2341 17.70044
317.7162 14.48267
318.1984 12.41907
318.6805 13.22046
319.1626 15.69116
319.6447 18.19128
320.1268 20.80688
320.6089 23.04431
321.0911 24.22583
321.5732 25.05237
322.0553 26.43604
322.5374 28.61084
323.0195 31.03052
323.5016 33.33875
323.9838 35.60229
324.4659 37.87048
324.9480 40.03296
325.4301 42.30396
325.9122 44.79517
326.3943 47.41663
326.8765 50.47229
327.3586 54.59485
327.8407 59.52673
328.3228 63.68066
328.8049 66.37976
329.2870 68.60681
329.7692 71.32104
330.2513 74.48047
330.7334 77.79895
331.2155 80.86633
331.6976 84.00781
332.1797 88.03125
332.6619 93.12988
333.1440 98.80359
333.6261 105.1620
334.1082 111.8236
334.5903 117.8431
335.0724 122.5137
335.5546 126.5581
336.0367 130.9835
336.5188 135.8428
337.0009 140.4270
337.4830 144.5162
337.9651 147.9583
338.4473 150.3442
338.9294 150.8580
339.4115 151.5337
339.8936 154.3672
340.3757 159.0625
340.8578 163.2837
341.3400 166.0127
341.8221 168.0403
342.3042 170.5322
342.7863 173.4999
343.2684 176.9685
343.7505 180.9908
344.2327 185.4189
344.7148 189.9194
345.1969 194.3091
345.6790 199.3196
346.1611 206.1226
346.6432 214.4451
347.1254 222.9247
347.6075 231.5829
348.0896 239.8385
348.5717 246.8646
349.0538 252.6461
349.5359 257.9052
350.0181 263.3469
350.5002 268.6632
350.9823 272.7390
351.4644 275.7103
351.9465 277.2091
352.4286 277.1658
352.9108 275.5243
353.3929 271.8837
353.8750 265.9062
354.3571 257.7754
354.8392 248.0442
355.3214 236.4558
355.8035 224.2910
356.2856 211.9062
356.7677 199.3356
357.2498 186.5474
357.7319 173.5087
358.2141 160.4677
358.6962 147.4056
359.1783 134.1262
359.6604 122.0477
360.1425 111.3501
360.6246 101.8481
361.1068 93.71606
361.5889 86.81067
362.0710 80.46411
362.5531 74.20129
363.0352 67.99487
363.5173 61.67981
363.9995 54.32886
364.4816 47.74707
364.9637 43.13672
365.4458 40.02100
365.9279 37.06897
366.4100 33.54956
366.8922 29.84741
367.3743 27.30286
367.8564 26.58398
368.3385 25.96960
368.8206 25.20984
369.3027 24.44458
369.7849 24.08972
370.2670 24.21790
370.7491 24.07129
371.2312 22.47351
371.7133 18.63818
372.1954 15.73267
372.6776 14.40869
373.1597 13.40430
373.6418 11.89453
374.1239 9.939331
374.6060 8.120972
375.0881 6.913940
375.5703 6.302612
376.0524 5.479858
376.5345 4.130371
377.0166 2.933838
377.4987 2.198608
377.9808 1.667969
378.4630 0.8266600
378.9451 0.5662840
379.4272 2.053833
379.9093 2.482422
380.3914 0.8426510
380.8735 0.1865230
381.3557 0.1553960
381.8378 0.2017820
382.3199 0.6605220
382.8020 1.014893
383.2841 0.7481690
383.7662 0.8728030
384.2484 4.106934
384.7305 6.887451
385.2126 9.192261
385.6947 11.02075
386.1768 12.08142
386.6589 12.66370
387.1411 13.33521
387.6232 14.48926
388.1053 15.90759
388.5874 16.84351
389.0695 17.28479
389.5516 17.20447
390.0338 16.38831
390.5159 15.24670
390.9980 14.13550
391.4801 13.15369
391.9622 12.21118
392.4443 10.99304
392.9265 9.388428
393.4086 8.678955
393.8907 10.03687
394.3728 11.40125
394.8549 11.65491
395.3370 10.88599
395.8192 9.642456
396.3013 7.980225
396.7834 6.114258
397.2655 4.852661
397.7476 4.432617
398.2297 4.009644
398.7119 3.088013
399.1940 1.909790
399.6761 0.7124020
400.1582 0.5612790
400.6403 1.587280
401.1224 1.767700
401.6046 1.182861
402.0867 1.104736
402.5688 2.090820
403.0509 3.571899
403.5330 5.074646
404.0151 6.630981
404.4973 7.486633
404.9794 6.787170
405.4615 5.324097
405.9436 4.487549
406.4257 4.478394
406.9078 4.759338
407.3900 4.987610
407.8721 5.145325
408.3542 5.198608
408.8363 5.045410
409.3184 4.862671
409.8005 4.928223
410.2827 5.089172
410.7648 4.790588
411.2469 3.741150
411.7290 2.183472
412.2111 0.5666500
412.6932 1.389160
413.1754 2.736023
413.6575 2.254089
414.1396 1.642395
414.6217 3.247803
415.1038 7.253540
415.5859 11.12860
416.0681 12.16821
416.5502 9.971252
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