#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:27:40 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1110 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000543.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_1000543
loop_
_publ_author_name
'Robinson, K.'
'Gibbs, G. V.'
'Ribbe, P. H.'
_publ_section_title
;
 The crystal structures of the humite minerals. IV. Clinohumite and
 titanclinohumite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              43
_journal_page_last               49
_journal_volume                  58
_journal_year                    1973
_chemical_compound_source        R060559
_chemical_formula_sum            'Fe0.58 H2 Mg8.42 O18 Si4'
_chemical_name_mineral           Hydroxylclinohumite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                100.786
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7441
_cell_length_b                   10.2501
_cell_length_c                   13.6635
_cell_volume                     652.684
_exptl_crystal_density_diffrn    3.253
_cod_original_cell_volume        652.683
_cod_original_formula_sum        'Mg8.42 Fe.58 Si4 O18 H2'
_cod_database_code               9000292
_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            R060559.rod
_rod_data_source.block           3500000
_rod_database.code               1000543
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 9000292 COD http://www.crystallography.net/cod/9000292.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
93.97052 0.0000000E+00
94.45264 3.969360
94.93475 3.282593
95.41687 1.973389
95.89898 1.991638
96.38110 3.376343
96.86321 5.721130
97.34533 7.367554
97.82745 6.017700
98.30956 4.473572
98.79168 3.422363
99.27380 3.943176
99.75591 4.312500
100.2380 4.049744
100.7201 3.467285
101.2023 3.351196
101.6844 3.877441
102.1665 3.670044
102.6486 2.780029
103.1307 1.819397
103.6128 0.9390870
104.0950 0.1582640
104.5771 0.2154540
105.0592 0.3905030
105.5413 1.337708
106.0234 2.931152
106.5055 5.807861
106.9877 9.485962
107.4698 13.42255
107.9519 19.03186
108.4340 23.60675
108.9161 26.31268
109.3982 26.96753
109.8804 25.56720
110.3625 21.67310
110.8446 14.43219
111.3267 9.460876
111.8088 7.742004
112.2909 7.051331
112.7731 6.933472
113.2552 7.254944
113.7373 7.538269
114.2194 7.346069
114.7015 5.719360
115.1836 5.317627
115.6658 6.924011
116.1479 9.437195
116.6300 11.90985
117.1121 13.79974
117.5942 14.88953
118.0763 14.18573
118.5584 10.63995
119.0406 8.240845
119.5227 8.632141
120.0048 11.41791
120.4869 15.17444
120.9690 19.57520
121.4511 24.34839
121.9333 28.41156
122.4154 31.12939
122.8975 33.64185
123.3796 35.61090
123.8617 37.20776
124.3438 38.20770
124.8260 39.12878
125.3081 39.41962
125.7902 38.02496
126.2723 34.14001
126.7544 29.07281
127.2365 25.77869
127.7187 24.96246
128.2008 24.83813
128.6829 25.00348
129.1650 25.38531
129.6471 25.97156
130.1292 26.85785
130.6114 27.97729
131.0935 28.24988
131.5756 26.64636
132.0577 25.12186
132.5398 24.41852
133.0219 24.24963
133.5041 23.80438
133.9862 22.29233
134.4683 19.42746
134.9504 17.56836
135.4325 17.09760
135.9146 17.03708
136.3968 17.04364
136.8789 17.00043
137.3610 16.66037
137.8431 15.57916
138.3252 13.45328
138.8073 12.35245
139.2895 13.08701
139.7716 14.63776
140.2537 15.93304
140.7358 16.80081
141.2179 17.12787
141.7000 16.66855
142.1821 15.53256
142.6643 14.03494
143.1464 12.15378
143.6285 9.970673
144.1106 7.732300
144.5927 5.305328
145.0748 3.071808
145.5570 1.316162
146.0391 2.5878999E-02
146.5212 1.051788
147.0033 2.034729
147.4854 2.893738
147.9675 3.816620
148.4497 5.179688
148.9318 6.413788
149.4139 7.061584
149.8960 7.054932
150.3781 6.881531
150.8602 7.328308
151.3424 8.872131
151.8245 7.363342
152.3066 5.219940
152.7887 2.962128
153.2708 1.059509
153.7529 0.3426510
154.2351 1.522644
154.7172 3.162292
155.1993 5.940552
155.6814 8.437103
156.1635 10.69272
156.6456 12.60941
157.1278 14.06567
157.6099 15.00156
158.0920 15.49048
158.5741 15.78662
159.0562 15.48178
159.5383 15.47409
160.0205 16.00809
160.5026 16.98843
160.9847 18.29855
161.4668 20.01105
161.9489 21.90042
162.4310 23.10385
162.9131 23.19440
163.3953 23.14273
163.8774 23.47766
164.3595 24.18094
164.8416 25.03220
165.3237 25.96475
165.8058 26.94647
166.2880 27.90158
166.7701 28.76691
167.2522 29.62793
167.7343 30.57065
168.2164 31.58432
168.6985 32.64862
169.1807 33.81586
169.6628 35.03973
170.1449 36.28415
170.6270 37.61597
171.1091 38.92300
171.5912 39.97665
172.0734 40.88474
172.5555 41.23486
173.0376 40.93365
173.5197 40.14011
174.0018 38.92056
174.4839 37.08765
174.9661 34.87277
175.4482 33.79510
175.9303 34.92752
176.4124 36.04282
176.8945 36.59567
177.3766 36.73483
177.8588 36.74414
178.3409 36.79126
178.8230 36.87643
179.3051 37.03973
179.7872 37.38455
180.2693 37.67380
180.7515 37.82455
181.2336 37.86172
181.7157 37.85165
182.1978 37.84128
182.6799 37.82843
183.1620 37.85486
183.6441 38.05664
184.1263 38.14441
184.6084 37.76501
185.0905 37.03397
185.5726 36.52612
186.0547 36.82104
186.5368 38.07153
187.0190 38.98755
187.5011 39.82419
187.9832 40.17953
188.4653 39.61142
188.9474 38.09595
189.4296 36.17923
189.9117 34.32553
190.3938 32.54852
190.8759 30.76605
191.3580 28.85342
191.8401 26.98270
192.3223 25.27686
192.8044 23.72781
193.2865 22.52237
193.7686 22.02847
194.2507 22.06339
194.7328 22.18500
195.2150 22.27939
195.6971 22.35464
196.1792 22.34711
196.6613 22.09082
197.1434 22.19455
197.6255 23.33762
198.1077 25.18604
198.5898 26.89304
199.0719 27.88550
199.5540 28.34143
200.0361 29.02618
200.5182 29.97519
201.0004 31.15610
201.4825 32.34970
201.9646 33.67731
202.4467 35.44971
202.9288 38.23654
203.4109 41.92792
203.8930 44.53513
204.3752 45.19431
204.8573 45.57956
205.3394 46.37924
205.8215 47.43555
206.3036 48.25513
206.7857 48.38419
207.2679 47.81332
207.7500 47.55261
208.2321 47.66486
208.7142 48.03891
209.1963 48.41949
209.6784 49.12589
210.1606 50.60718
210.6427 53.39529
211.1248 57.68484
211.6069 61.08679
212.0890 63.78864
212.5711 65.50269
213.0533 66.17471
213.5354 65.72998
214.0175 64.07874
214.4996 61.10690
214.9817 56.70557
215.4638 51.44501
215.9460 44.30249
216.4281 37.37762
216.9102 31.77115
217.3923 27.42447
217.8744 23.44427
218.3565 18.95709
218.8387 13.82315
219.3208 10.01450
219.8029 8.217712
220.2850 6.991425
220.7671 5.397583
221.2492 3.441406
221.7314 1.795410
222.2135 1.112396
222.6956 1.480774
223.1777 1.621704
223.6598 1.207031
224.1419 0.8064580
224.6240 0.8903810
225.1062 1.469910
225.5883 2.161530
226.0704 2.594116
226.5525 2.849609
227.0346 3.499451
227.5167 4.606110
227.9989 6.106537
228.4810 8.060059
228.9631 10.47827
229.4452 12.93845
229.9273 15.10779
230.4094 17.06506
230.8916 19.05054
231.3737 21.22260
231.8558 23.35898
232.3379 25.19250
232.8200 26.69739
233.3021 28.06067
233.7843 29.24927
234.2664 30.41260
234.7485 31.80237
235.2306 33.56799
235.7127 35.51053
236.1948 37.41568
236.6770 39.31979
237.1591 41.08206
237.6412 42.71234
238.1233 44.14490
238.6054 45.24832
239.0875 45.89990
239.5697 46.32404
240.0518 47.01636
240.5339 48.26196
241.0160 48.84518
241.4981 47.79266
241.9802 46.09320
242.4624 44.62659
242.9445 43.70419
243.4266 43.09518
243.9087 42.43927
244.3908 41.75409
244.8729 40.97763
245.3550 39.76666
245.8372 38.62308
246.3193 37.99722
246.8014 38.04456
247.2835 38.55789
247.7656 39.14731
248.2477 39.62030
248.7299 40.67770
249.2120 42.76434
249.6941 45.20062
250.1762 47.51193
250.6583 49.55365
251.1404 51.42398
251.6226 53.24277
252.1047 54.78415
252.5868 56.81409
253.0689 59.81497
253.5510 62.97849
254.0331 65.71875
254.5153 67.89514
254.9974 69.83276
255.4795 72.09912
255.9616 75.08008
256.4437 77.52197
256.9258 79.36230
257.4080 80.80402
257.8901 81.96585
258.3722 82.87238
258.8543 83.51031
259.3364 83.83423
259.8185 83.70926
260.3007 83.59265
260.7828 83.64865
261.2649 83.58948
261.7470 83.32245
262.2291 82.79095
262.7112 81.90448
263.1934 80.54590
263.6755 78.64960
264.1576 76.44327
264.6397 74.14441
265.1218 71.44025
265.6039 67.90866
266.0861 63.71063
266.5682 59.51285
267.0503 56.00067
267.5324 53.33807
268.0145 50.37247
268.4966 46.81573
268.9788 43.28220
269.4609 40.18790
269.9430 37.43835
270.4251 34.59146
270.9072 31.23120
271.3893 27.34564
271.8715 23.95709
272.3536 20.96402
272.8357 18.44537
273.3178 16.65247
273.7999 15.39853
274.2820 14.18863
274.7642 12.64294
275.2463 10.83164
275.7284 9.707550
276.2105 9.636383
276.6926 9.669281
277.1747 9.330811
277.6568 8.847168
278.1389 8.822937
278.6211 9.671814
279.1032 11.11639
279.5853 11.90027
280.0674 11.55560
280.5495 11.29742
281.0316 11.50174
281.5138 12.00296
281.9959 12.48856
282.4780 12.81113
282.9601 13.05039
283.4422 13.36664
283.9243 13.55832
284.4065 14.10413
284.8886 15.08942
285.3707 16.47946
285.8528 18.50235
286.3349 21.35385
286.8170 24.14407
287.2992 25.14392
287.7813 23.69489
288.2634 22.75891
288.7455 23.00223
289.2276 23.97882
289.7097 25.18430
290.1919 26.50757
290.6740 28.00586
291.1561 29.85898
291.6382 32.13754
292.1203 34.14346
292.6024 35.57297
293.0846 36.83133
293.5667 38.47177
294.0488 40.55435
294.5309 42.36456
295.0130 43.18179
295.4951 42.95676
295.9773 42.70432
296.4594 42.12503
296.9415 41.76749
297.4236 42.36655
297.9057 43.82788
298.3878 44.95877
298.8700 44.77750
299.3521 43.49475
299.8342 42.76651
300.3163 42.67126
300.7984 43.04279
301.2805 43.91342
301.7627 45.21576
302.2448 46.69470
302.7269 48.32040
303.2090 49.96140
303.6911 51.24908
304.1732 52.02917
304.6554 52.76520
305.1375 53.98334
305.6196 55.34280
306.1017 55.97424
306.5838 55.56378
307.0659 54.24588
307.5481 52.10571
308.0302 48.99829
308.5123 45.90692
308.9944 43.28030
309.4765 40.85312
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310.9229 31.70068
311.4050 28.79248
311.8871 26.17224
312.3692 24.15686
312.8513 23.28455
313.3335 22.83173
313.8156 21.76392
314.2977 19.90488
314.7798 18.20395
315.2619 17.50537
315.7440 17.81259
316.2262 18.59033
316.7083 20.34286
317.1904 22.16461
317.6725 23.10535
318.1546 23.21790
318.6367 23.56699
319.1188 25.00488
319.6010 27.25748
320.0831 28.91681
320.5652 29.73221
321.0473 30.23718
321.5294 30.70361
322.0115 31.09952
322.4937 31.35779
322.9758 31.53189
323.4579 31.43643
323.9400 30.55020
324.4221 28.51431
324.9042 26.61768
325.3864 25.48694
325.8685 24.77927
326.3506 23.87509
326.8327 22.60199
327.3148 20.99124
327.7969 18.92484
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329.2433 12.43359
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331.1718 9.075439
331.6539 7.639404
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333.1002 1.851074
333.5823 0.5479430
334.0645 9.9365003E-02
334.5466 0.4078670
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335.5108 0.5854490
335.9929 2.3529001E-02
336.4750 0.4695430
336.9572 0.3086240
337.4393 0.4604800
337.9214 1.731750
338.4035 3.653229
338.8856 4.986176
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339.8499 4.357727
340.3320 4.151489
340.8141 4.911469
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347.5637 2.566864
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348.5280 4.780487
349.0101 5.440033
349.4922 4.949432
349.9743 4.283203
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351.9028 3.505066
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354.7955 6.182648
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360.0987 6.851807
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370.7053 19.07553
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376.4907 27.88760
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382.2761 23.35629
382.7582 22.03989
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383.7224 15.54614
384.2046 13.76904
384.6867 13.17075
385.1688 12.66806
385.6509 11.62170
386.1330 10.29254
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387.5794 8.106171
388.0615 7.655701
388.5436 7.188629
389.0257 6.478149
389.5078 5.192963
389.9900 4.179810
390.4721 4.595215
390.9542 6.198730
391.4363 6.995117
391.9184 5.918427
392.4005 4.265808
392.8827 4.002136
393.3648 5.238892
393.8469 6.147614
394.3290 5.665497
394.8111 4.532806
395.2932 3.996582
395.7754 4.249847
396.2575 4.453033
396.7396 3.826385
397.2217 2.493469
397.7038 1.511383
398.1859 0.9200740
398.6681 0.6054080
399.1501 0.7431640
399.6323 1.209564
400.1144 1.459991
400.5965 1.170654
401.0786 0.5418400
401.5607 0.1773380
402.0428 0.2256770
402.5250 0.1949770
403.0071 5.3893998E-02
403.4892 0.3441470
403.9713 0.5472720
404.4534 0.6360780
404.9355 0.6486820
405.4177 0.5989690
405.8998 0.4239200
406.3819 0.5332340
406.8640 1.446014
407.3461 2.114166
407.8282 1.892883
408.3104 0.9923100
408.7925 6.8049999E-03
409.2746 0.7027890
409.7567 1.197571
410.2388 1.764496
410.7209 2.484833
411.2031 3.176697
411.6852 3.836700
412.1673 4.456329
412.6494 5.024902
413.1315 5.541473
413.6136 6.023224
414.0958 6.530029
414.5779 7.141510
415.0600 7.458038
415.5421 7.005798
416.0242 6.696716
416.5063 7.019867
416.9885 7.784027
417.4706 8.456116
417.9527 8.624817
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