#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:03:12 +0300 (Thu, 26 Apr 2018) $
#$Revision: 634 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000168.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_1000168
loop_
_publ_author_name
'Nyfeler, D.'
'Armbruster, T.'
'Dixon, R.'
'Bermanec, V.'
_publ_section_title
;
 Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate
 from the N'chwaning mine, Kalahari manganese field, South Africa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              377
_journal_page_last               386
_journal_volume                  80
_journal_year                    1995
_chemical_compound_source        R140275
_chemical_formula_sum            'H4 Mn2 O6 Si'
_chemical_name_mineral           Nchwaningite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.672
_cell_length_b                   7.217
_cell_length_c                   5.341
_cell_volume                     488.455
_exptl_crystal_density_diffrn    3.236
_cod_original_formula_sum        'Mn2 Si O6 H4'
_cod_database_code               9001675
_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            R140275.rod
_rod_data_source.block           3500000
_rod_database.code               1000168
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 9001675 COD http://www.crystallography.net/cod/9001675.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
100.2380 0.0000000E+00
100.7201 0.9225080
101.2023 1.198997
101.6844 0.5945820
102.1665 0.5486150
102.6486 1.717331
103.1307 2.568741
103.6128 2.462654
104.0950 1.829895
104.5771 1.351410
105.0592 1.663162
105.5413 2.570465
106.0234 4.061005
106.5055 6.181175
106.9877 9.382103
107.4698 13.47661
107.9519 16.84297
108.4340 18.22874
108.9161 17.93434
109.3982 16.35021
109.8804 14.09320
110.3625 11.56400
110.8446 8.622208
111.3267 6.303757
111.8088 5.187035
112.2909 4.292839
112.7731 3.058289
113.2552 1.460159
113.7373 9.2896000E-02
114.2194 1.006386
114.7015 1.064651
115.1836 0.7302860
115.6658 0.3867870
116.1479 1.714325
116.6300 2.671677
117.1121 3.064430
117.5942 3.102180
118.0763 3.261536
118.5584 3.518486
119.0406 3.873909
119.5227 4.325279
120.0048 4.873222
120.4869 5.515656
120.9690 6.223595
121.4511 7.073196
121.9333 8.106361
122.4154 9.263596
122.8975 10.70004
123.3796 12.74518
123.8617 15.50864
124.3438 17.98458
124.8260 19.84012
125.3081 21.08356
125.7902 21.55578
126.2723 21.08279
126.7544 19.94196
127.2365 18.60780
127.7187 16.45238
128.2008 15.25732
128.6829 15.79968
129.1650 17.38993
129.6471 19.16055
130.1292 20.62561
130.6114 21.81357
131.0935 22.94561
131.5756 23.63959
132.0577 24.56639
132.5398 26.05846
133.0219 28.33939
133.5041 30.99493
133.9862 33.03975
134.4683 34.76814
134.9504 36.72123
135.4325 38.45043
135.9146 40.59911
136.3968 43.69923
136.8789 47.70654
137.3610 52.08427
137.8431 56.43674
138.3252 61.00192
138.8073 63.79529
139.2895 64.16602
139.7716 62.92933
140.2537 60.90569
140.7358 58.22152
141.2179 54.96909
141.7000 50.83688
142.1821 45.89158
142.6643 41.63017
143.1464 38.74164
143.6285 37.05215
144.1106 35.99313
144.5927 35.84473
145.0748 35.87032
145.5570 35.37635
146.0391 34.35791
146.5212 33.23876
147.0033 32.40845
147.4854 31.90502
147.9675 31.30410
148.4497 30.39430
148.9318 29.43622
149.4139 28.49186
149.8960 27.59457
150.3781 26.86134
150.8602 26.42812
151.3424 26.16327
151.8245 26.56554
152.3066 27.89371
152.7887 29.63033
153.2708 31.57740
153.7529 33.61904
154.2351 35.49331
154.7172 36.54561
155.1993 36.82770
155.6814 36.00648
156.1635 33.70792
156.6456 30.43016
157.1278 26.64516
157.6099 22.55394
158.0920 18.44012
158.5741 14.63782
159.0562 10.73470
159.5383 7.515312
160.0205 5.442574
160.5026 4.236961
160.9847 3.244514
161.4668 2.082405
161.9489 0.8742600
162.4310 0.1338350
162.9131 0.1060490
163.3953 0.2801250
163.8774 0.5607760
164.3595 0.9090960
164.8416 0.8516880
165.3237 0.2950710
165.8058 1.957153
166.2880 2.808170
166.7701 2.242184
167.2522 1.181335
167.7343 0.6986660
168.2164 0.9164430
168.6985 1.136639
169.1807 0.9457280
169.6628 0.5135040
170.1449 8.9039998E-03
170.6270 0.5596350
171.1091 1.112667
171.5912 1.430622
172.0734 1.347019
172.5555 1.371864
173.0376 1.690498
173.5197 2.277466
174.0018 2.999653
174.4839 3.759125
174.9661 4.581482
175.4482 5.686066
175.9303 7.416607
176.4124 9.064434
176.8945 10.41284
177.3766 11.54775
177.8588 12.61813
178.3409 13.73520
178.8230 14.90208
179.3051 16.04034
179.7872 17.51975
180.2693 18.61761
180.7515 19.00515
181.2336 18.79308
181.7157 18.27981
182.1978 17.69763
182.6799 17.03792
183.1620 16.38925
183.6441 15.84157
184.1263 15.22575
184.6084 14.49052
185.0905 13.62054
185.5726 12.56775
186.0547 11.22794
186.5368 9.535606
187.0190 8.284523
187.5011 7.633476
187.9832 7.294308
188.4653 7.136711
188.9474 7.134342
189.4296 7.158791
189.9117 7.032112
190.3938 6.771698
190.8759 6.771347
191.3580 7.073505
191.8401 7.656944
192.3223 8.594467
192.8044 9.956303
193.2865 11.35844
193.7686 12.36251
194.2507 13.08791
194.7328 13.87505
195.2150 14.76507
195.6971 15.80445
196.1792 17.26173
196.6613 19.55975
197.1434 21.39695
197.6255 21.52746
198.1077 20.44261
198.5898 19.33639
199.0719 18.98835
199.5540 19.19847
200.0361 18.96407
200.5182 17.77335
201.0004 16.80459
201.4825 16.87651
201.9646 17.66627
202.4467 18.35849
202.9288 18.21115
203.4109 17.31030
203.8930 17.00455
204.3752 17.78307
204.8573 18.66762
205.3394 19.18617
205.8215 19.49588
206.3036 20.03891
206.7857 21.26379
207.2679 23.22283
207.7500 24.84120
208.2321 25.46064
208.7142 26.32938
209.1963 27.88063
209.6784 30.03780
210.1606 32.51548
210.6427 35.12747
211.1248 37.91537
211.6069 40.31578
212.0890 41.95486
212.5711 43.58792
213.0533 45.53027
213.5354 47.74871
214.0175 50.09401
214.4996 52.49532
214.9817 55.06992
215.4638 56.76911
215.9460 57.49100
216.4281 57.66223
216.9102 57.32592
217.3923 56.57989
217.8744 55.66124
218.3565 54.79111
218.8387 53.98358
219.3208 53.07958
219.8029 52.09764
220.2850 51.00384
220.7671 49.56487
221.2492 47.88255
221.7314 46.57815
222.2135 46.27335
222.6956 47.05170
223.1777 47.52100
223.6598 47.38932
224.1419 47.11044
224.6240 47.10809
225.1062 47.42108
225.5883 47.74283
226.0704 47.79678
226.5525 47.60344
227.0346 47.44404
227.5167 47.50976
227.9989 47.53479
228.4810 47.33332
228.9631 46.89463
229.4452 46.04276
229.9273 44.41474
230.4094 42.26057
230.8916 40.27428
231.3737 38.83635
231.8558 37.47120
232.3379 35.51540
232.8200 32.86699
233.3021 30.35037
233.7843 28.62040
234.2664 27.33220
234.7485 25.98847
235.2306 24.38891
235.7127 22.74625
236.1948 21.32494
236.6770 20.12664
237.1591 19.11473
237.6412 18.41375
238.1233 17.84090
238.6054 17.18105
239.0875 16.32134
239.5697 15.41431
240.0518 14.72751
240.5339 14.32156
241.0160 13.93454
241.4981 13.39264
241.9802 12.84787
242.4624 12.49914
242.9445 12.46522
243.4266 12.49662
243.9087 12.09563
244.3908 11.03578
244.8729 10.16605
245.3550 9.901955
245.8372 9.819939
246.3193 9.588356
246.8014 9.096153
247.2835 8.402287
247.7656 7.554119
248.2477 6.432934
248.7299 5.452103
249.2120 4.670349
249.6941 4.045040
250.1762 3.646221
250.6583 3.478546
251.1404 3.303692
251.6226 2.629711
252.1047 1.028233
252.5868 7.2757997E-02
253.0689 0.2470930
253.5510 0.1578330
254.0331 0.2993620
254.5153 0.7837980
254.9974 1.348370
255.4795 1.562466
255.9616 1.170959
256.4437 0.9757160
256.9258 1.146568
257.4080 1.368958
257.8901 1.427971
258.3722 1.290379
258.8543 1.079906
259.3364 0.9680520
259.8185 1.019897
260.3007 1.005432
260.7828 1.155254
261.2649 1.085381
261.7470 0.4320490
262.2291 0.7687110
262.7112 2.100616
263.1934 3.091110
263.6755 3.640594
264.1576 4.185825
264.6397 4.665134
265.1218 5.188789
265.6039 5.842270
266.0861 6.608864
266.5682 7.375240
267.0503 7.989563
267.5324 8.353653
268.0145 9.254211
268.4966 11.01445
268.9788 12.89674
269.4609 14.57495
269.9430 16.04500
270.4251 17.46839
270.9072 19.01566
271.3893 20.69639
271.8715 21.86628
272.3536 22.02465
272.8357 22.27567
273.3178 23.05357
273.7999 24.30860
274.2820 25.84209
274.7642 27.55835
275.2463 29.43544
275.7284 31.15955
276.2105 32.50634
276.6926 33.98178
277.1747 35.78907
277.6568 37.86206
278.1389 40.02323
278.6211 42.17068
279.1032 44.34019
279.5853 46.72977
280.0674 49.43311
280.5495 52.20240
281.0316 55.21806
281.5138 58.23348
281.9959 60.80471
282.4780 62.72800
282.9601 64.14027
283.4422 65.31528
283.9243 66.32102
284.4065 67.03897
284.8886 67.37538
285.3707 67.42653
285.8528 67.21917
286.3349 66.71486
286.8170 66.24384
287.2992 66.42106
287.7813 67.39227
288.2634 68.43057
288.7455 69.35956
289.2276 70.32226
289.7097 71.54475
290.1919 73.08835
290.6740 74.67524
291.1561 75.86222
291.6382 76.52359
292.1203 77.82442
292.6024 80.36650
293.0846 83.33346
293.5667 85.98339
294.0488 88.24197
294.5309 90.27476
295.0130 92.17271
295.4951 93.94353
295.9773 96.01577
296.4594 98.86807
296.9415 101.6645
297.4236 103.7854
297.9057 105.2107
298.3878 106.2457
298.8700 107.1737
299.3521 107.8452
299.8342 107.7392
300.3163 106.2849
300.7984 104.5897
301.2805 103.3259
301.7627 102.3736
302.2448 101.1553
302.7269 99.26175
303.2090 96.96455
303.6911 95.11552
304.1732 94.15206
304.6554 92.91019
305.1375 90.56206
305.6196 87.51601
306.1017 84.81041
306.5838 82.83200
307.0659 81.38982
307.5481 80.25433
308.0302 79.55620
308.5123 78.61961
308.9944 76.76091
309.4765 74.61774
309.9586 73.45943
310.4408 73.73826
310.9229 74.47622
311.4050 74.39399
311.8871 73.48697
312.3692 72.46317
312.8513 71.26746
313.3335 70.12207
313.8156 69.51290
314.2977 69.52862
314.7798 69.26430
315.2619 67.85987
315.7440 65.33038
316.2262 62.48399
316.7083 58.96130
317.1904 55.44151
317.6725 52.49779
318.1546 50.12236
318.6367 47.98531
319.1188 45.90682
319.6010 43.94711
320.0831 42.14203
320.5652 40.45506
321.0473 38.91287
321.5294 37.54233
322.0115 36.33443
322.4937 35.24403
322.9758 34.27857
323.4579 33.39798
323.9400 32.55177
324.4221 31.85372
324.9042 30.95220
325.3864 29.50621
325.8685 27.80103
326.3506 26.42177
326.8327 25.60410
327.3148 24.95952
327.7969 23.82632
328.2791 22.11809
328.7612 20.54413
329.2433 19.33824
329.7254 18.29041
330.2075 17.07806
330.6896 15.64528
331.1718 14.37051
331.6539 13.69769
332.1360 13.68768
332.6181 13.48722
333.1002 12.94202
333.5823 12.29790
334.0645 11.67241
334.5466 11.09407
335.0287 10.64621
335.5108 10.44524
335.9929 10.42659
336.4750 10.14105
336.9572 9.374947
337.4393 8.595894
337.9214 7.857533
338.4035 7.248142
338.8856 7.037998
339.3677 7.409042
339.8499 8.120144
340.3320 8.521965
340.8141 8.564606
341.2962 8.451553
341.7783 8.252831
342.2604 7.907215
342.7426 7.306873
343.2247 6.423759
343.7068 5.354919
344.1889 4.156109
344.6710 2.571835
345.1531 1.765270
345.6353 2.505173
346.1174 3.504581
346.5995 3.751495
347.0816 3.194351
347.5637 2.407166
348.0458 1.898785
348.5280 1.686813
349.0101 1.342598
349.4922 0.5859600
349.9743 1.1750000E-03
350.4564 1.2383000E-02
350.9385 0.4008790
351.4207 0.6129910
351.9028 0.3101310
352.3849 0.3741650
352.8670 0.8730200
353.3491 1.143742
353.8312 1.283524
354.3134 1.220467
354.7955 1.064110
355.2776 0.9149210
355.7597 0.8117450
356.2418 0.7799870
356.7239 0.8712010
357.2061 1.180313
357.6882 1.422745
358.1703 1.680710
358.6524 1.820545
359.1345 1.717052
359.6166 1.382637
360.0987 0.9431300
360.5808 0.5152700
361.0630 0.1028940
361.5451 0.3377610
362.0272 0.9363400
362.5093 1.427635
362.9914 1.608917
363.4735 1.626289
363.9557 1.785873
364.4378 2.294910
364.9199 3.024632
365.4020 3.413948
365.8841 3.124554
366.3662 2.944412
366.8484 2.771896
367.3305 2.840572
367.8126 3.565899
368.2947 5.022388
368.7768 6.607582
369.2589 7.274261
369.7411 6.489361
370.2232 6.240505
370.7053 6.961082
371.1874 7.887306
371.6695 8.673557
372.1516 9.289627
372.6338 9.869724
373.1159 10.51418
373.5980 11.22134
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374.5622 12.92320
375.0443 13.80122
375.5265 14.53179
376.0086 15.17502
376.4907 15.83597
376.9728 16.59115
377.4549 17.34181
377.9370 17.84488
378.4192 18.01023
378.9013 18.18162
379.3834 18.58427
379.8655 18.95182
380.3476 19.00530
380.8297 18.69491
381.3119 18.35861
381.7940 18.44085
382.2761 18.92793
382.7582 19.07121
383.2403 18.48398
383.7224 17.87563
384.2046 17.78032
384.6867 18.08197
385.1688 18.34298
385.6509 18.24474
386.1330 17.95741
386.6151 17.97062
387.0973 18.44501
387.5794 18.63317
388.0615 17.67319
388.5436 16.26997
389.0257 15.49192
389.5078 15.84101
389.9900 16.30127
390.4721 15.82047
390.9542 14.53603
391.4363 13.59577
391.9184 13.55978
392.4005 13.79709
392.8827 13.32730
393.3648 12.08622
393.8469 11.08274
394.3290 10.89566
394.8111 11.13276
395.2932 11.17639
395.7754 10.92761
396.2575 10.60075
396.7396 10.28673
397.2217 10.03166
397.7038 10.14633
398.1859 11.10769
398.6681 12.03765
399.1501 12.32087
399.6323 12.06969
400.1144 11.69132
400.5965 11.33814
401.0786 11.07059
401.5607 11.10813
402.0428 11.67974
402.5250 12.10412
403.0071 12.09314
403.4892 11.95162
403.9713 11.99237
404.4534 12.29590
404.9355 12.83842
405.4177 13.62426
405.8998 14.72117
406.3819 15.72706
406.8640 16.57475
407.3461 17.40051
407.8282 18.35227
408.3104 19.33882
408.7925 20.11167
409.2746 20.48975
409.7567 20.53106
410.2388 20.50402
410.7209 20.08696
411.2031 20.07981
411.6852 20.91475
412.1673 22.00645
412.6494 22.82503
413.1315 23.24351
413.6136 23.44488
414.0958 23.70899
414.5779 24.16084
415.0600 24.18942
415.5421 23.36825
416.0242 22.47224
416.5063 21.74053
416.9885 21.18987
417.4706 20.79336
417.9527 20.55982
418.4348 20.46814
418.9169 20.48217
419.3990 20.67535
419.8812 20.71503
420.3633 20.35366
420.8454 19.90505
421.3275 19.61941
421.8096 19.55288
422.2917 19.71163
422.7739 20.21017
423.2560 21.02519
423.7381 21.65222
424.2202 21.80578
424.7023 22.05418
425.1844 22.99004
425.6666 24.41321
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