#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:45:03 +0300 (Thu, 26 Apr 2018) $
#$Revision: 557 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000103.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_1000103
loop_
_publ_author_name
'Wan, C.'
'Ghose, S.'
_publ_section_title
;
 Inesite, a hydrated calcium manganese silicate with
 five-tetrahedral-repeat double chains
;
_journal_name_full               'American Mineralogist'
_journal_page_first              563
_journal_page_last               571
_journal_volume                  63
_journal_year                    1978
_chemical_compound_source        R090030
_chemical_formula_sum            'Ca2 H11.912 Mn7 O34.956 Si10'
_chemical_name_mineral           Inesite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.15
_cell_angle_beta                 132.07
_cell_angle_gamma                96.64
_cell_length_a                   8.889
_cell_length_b                   9.247
_cell_length_c                   11.975
_cell_volume                     724.410
_exptl_crystal_density_diffrn    3.019
_cod_original_cell_volume        724.409
_cod_original_formula_sum        'Ca2 Mn7 Si10 O34.956 H11.912'
_cod_database_code               9000656
_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            R090030.rod
_rod_data_source.block           3500000
_rod_database.code               1000103
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 9000656 COD http://www.crystallography.net/cod/9000656.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
130.4642 0.0000000E+00
130.9463 1.568100
131.4284 3.192719
131.9105 4.687851
132.3926 5.906403
132.8748 6.836304
133.3569 7.426056
133.8390 7.667435
134.3211 7.395874
134.8032 6.960297
135.2853 7.146378
135.7674 6.659035
136.2496 5.707268
136.7317 4.628418
137.2138 3.585190
137.6959 2.564743
138.1780 1.560463
138.6601 0.6722260
139.1423 7.4584998E-02
139.6244 0.3220670
140.1065 0.4122850
140.5886 0.1125110
141.0707 0.5490720
141.5528 1.446312
142.0350 2.466827
142.5171 3.725082
142.9992 4.827263
143.4813 5.691765
143.9634 6.610809
144.4455 7.751511
144.9277 9.106644
145.4098 10.63255
145.8919 12.40121
146.3740 14.51546
146.8561 16.49688
147.3382 18.27538
147.8204 19.97467
148.3025 21.68219
148.7846 23.48620
149.2667 25.25874
149.7488 26.67956
150.2309 27.99359
150.7131 28.88812
151.1952 29.13888
151.6773 28.83156
152.1594 28.25848
152.6415 27.45807
153.1236 26.50768
153.6058 25.65334
154.0879 25.07624
154.5700 24.16639
155.0521 22.20554
155.5342 19.15147
156.0163 16.28864
156.4985 14.33518
156.9806 12.92688
157.4627 11.82257
157.9448 10.56943
158.4269 9.420212
158.9090 9.173431
159.3912 10.13359
159.8733 10.93581
160.3554 10.98312
160.8375 10.41241
161.3196 9.771751
161.8017 9.345863
162.2839 9.016281
162.7660 8.394775
163.2481 7.205315
163.7302 6.202171
164.2123 5.427284
164.6944 4.885895
165.1766 4.634682
165.6587 4.729103
166.1408 5.117302
166.6229 5.436989
167.1050 5.417442
167.5871 5.621971
168.0693 6.372589
168.5514 7.436119
169.0335 8.360359
169.5156 8.838058
169.9977 8.897293
170.4798 8.989418
170.9620 8.983368
171.4441 9.120529
171.9262 9.583435
172.4083 10.31812
172.8904 11.08535
173.3725 11.72086
173.8547 12.22172
174.3368 12.71034
174.8189 13.25841
175.3010 13.74833
175.7831 14.12577
176.2652 14.39243
176.7474 14.44820
177.2295 14.16026
177.7116 13.59300
178.1937 12.89126
178.6758 12.04088
179.1579 11.08728
179.6401 10.08982
180.1222 9.058769
180.6043 7.960342
181.0864 6.740974
181.5685 5.448814
182.0506 4.163452
182.5328 2.896004
183.0149 1.665527
183.4970 0.4985890
183.9791 0.7006840
184.4612 1.646744
184.9433 2.150055
185.4255 2.365440
185.9076 2.559822
186.3897 2.905510
186.8718 3.388786
187.3539 3.843262
187.8360 4.328835
188.3182 4.353912
188.8003 4.295181
189.2824 4.113022
189.7645 3.715736
190.2466 2.986778
190.7287 1.901001
191.2109 1.055656
191.6930 0.5890500
192.1751 0.2208250
192.6572 7.2342001E-02
193.1393 0.3279190
193.6214 0.6161120
194.1036 1.002518
194.5857 1.508171
195.0678 1.940025
195.5499 2.156090
196.0320 2.436569
196.5141 2.907440
196.9963 3.565895
197.4784 4.348381
197.9605 5.251823
198.4426 6.333206
198.9247 7.251236
199.4068 7.865105
199.8890 8.424591
200.3711 9.094437
200.8532 9.883965
201.3353 10.70164
201.8174 11.45985
202.2995 12.15642
202.7817 12.92163
203.2638 13.73459
203.7459 14.62868
204.2280 15.65145
204.7101 16.81476
205.1922 18.05190
205.6744 19.32581
206.1565 20.63886
206.6386 21.98664
207.1207 23.45061
207.6028 24.92109
208.0849 26.18553
208.5671 27.16447
209.0492 28.20755
209.5313 29.69057
210.0134 31.45441
210.4955 33.18267
210.9776 34.70214
211.4598 36.11969
211.9419 37.69726
212.4240 39.49204
212.9061 41.31976
213.3882 43.15217
213.8703 44.93607
214.3525 46.56762
214.8346 48.01761
215.3167 49.26189
215.7988 50.15282
216.2809 50.46764
216.7630 50.76315
217.2451 51.50346
217.7273 52.38192
218.2094 52.85336
218.6915 52.52023
219.1736 51.51006
219.6557 50.57082
220.1378 49.77573
220.6200 48.97449
221.1021 48.18280
221.5842 47.33899
222.0663 46.32444
222.5484 45.02986
223.0305 43.50869
223.5127 42.22082
223.9948 41.32876
224.4769 40.54804
224.9590 39.85191
225.4411 39.21727
225.9232 38.64563
226.4054 38.14975
226.8875 37.70224
227.3696 36.99548
227.8517 35.61800
228.3338 34.40336
228.8159 33.59055
229.2981 33.06557
229.7802 32.62070
230.2623 32.12194
230.7444 31.57642
231.2265 31.07111
231.7086 30.36984
232.1908 29.95459
232.6729 30.03694
233.1550 30.49377
233.6371 31.09031
234.1192 31.69083
234.6013 32.30229
235.0835 32.98697
235.5656 33.56964
236.0477 34.39374
236.5298 35.76539
237.0119 37.45936
237.4940 39.00117
237.9762 40.11340
238.4583 40.87697
238.9404 41.68250
239.4225 42.88380
239.9046 43.73156
240.3867 43.92322
240.8689 43.54323
241.3510 42.78070
241.8331 41.66349
242.3152 40.27238
242.7973 38.83701
243.2794 37.35172
243.7616 35.88445
244.2437 34.46118
244.7258 33.06763
245.2079 31.68221
245.6900 30.27872
246.1721 28.92667
246.6543 27.69543
247.1364 26.59043
247.6185 25.61477
248.1006 24.88071
248.5827 24.34044
249.0648 23.72019
249.5470 22.89520
250.0291 21.92079
250.5112 20.82205
250.9933 19.52431
251.4754 18.48592
251.9576 18.11146
252.4397 18.24684
252.9218 18.24567
253.4039 17.89942
253.8860 17.41113
254.3681 17.05701
254.8503 16.83974
255.3324 16.50862
255.8145 15.73310
256.2966 14.64222
256.7787 13.92863
257.2608 13.87088
257.7430 14.03068
258.2251 14.07459
258.7072 14.00695
259.1893 13.84060
259.6714 13.44437
260.1535 12.90228
260.6357 12.72069
261.1178 13.19485
261.5999 13.71488
262.0820 13.82402
262.5641 13.64338
263.0462 13.55000
263.5284 13.89783
264.0105 14.58427
264.4926 14.95536
264.9747 14.64632
265.4568 14.55271
265.9389 15.12367
266.4211 16.19318
266.9032 17.41482
267.3853 18.56841
267.8674 19.70871
268.3495 21.11485
268.8316 22.96896
269.3138 24.83057
269.7959 26.42882
270.2780 27.94576
270.7601 29.64773
271.2422 31.66989
271.7243 33.97878
272.2065 36.45578
272.6886 39.16536
273.1707 41.92495
273.6528 44.68271
274.1349 47.45990
274.6170 50.18958
275.0992 52.82498
275.5813 55.54129
276.0634 58.84116
276.5455 63.30322
277.0276 67.26429
277.5097 70.40585
277.9919 73.02251
278.4740 75.35161
278.9561 77.49151
279.4382 79.43584
279.9203 81.26055
280.4024 83.24595
280.8846 84.42480
281.3667 84.44899
281.8488 83.94900
282.3309 83.43124
282.8130 83.00138
283.2951 82.33946
283.7773 80.86520
284.2594 78.08495
284.7415 75.71610
285.2236 74.00781
285.7057 72.49839
286.1878 70.83114
286.6700 69.02229
287.1521 67.40253
287.6342 66.36627
288.1163 66.03191
288.5984 65.87148
289.0805 65.81351
289.5627 65.97086
290.0448 66.28095
290.5269 66.83051
291.0090 67.86021
291.4911 69.65026
291.9732 72.26340
292.4554 74.78127
292.9375 77.09647
293.4196 79.43159
293.9017 81.93976
294.3838 84.52847
294.8659 87.05092
295.3481 89.44595
295.8302 91.68125
296.3123 93.18507
296.7944 94.00498
297.2765 93.97368
297.7586 92.95470
298.2408 91.06901
298.7229 88.47314
299.2050 85.26210
299.6871 81.44044
300.1692 77.02097
300.6513 71.55245
301.1335 65.99363
301.6156 60.41373
302.0977 54.83607
302.5798 49.10376
303.0619 43.19302
303.5440 37.45863
304.0262 32.59234
304.5083 29.25327
304.9904 25.92738
305.4725 22.49708
305.9546 19.13428
306.4367 15.90316
306.9189 12.85211
307.4010 10.05688
307.8831 7.623894
308.3652 5.588730
308.8473 3.888649
309.3294 2.545837
309.8116 1.442558
310.2937 0.5560070
310.7758 0.1456990
311.2579 0.7281110
311.7400 1.263123
312.2221 1.783928
312.7043 2.033958
313.1864 1.942131
313.6685 1.697540
314.1506 1.322227
314.6327 0.8514020
315.1148 0.3565140
315.5970 9.3620002E-02
316.0791 0.5195690
316.5612 1.209404
317.0433 2.447273
317.5254 3.638733
318.0075 4.524246
318.4897 5.311951
318.9718 6.359985
319.4539 7.862228
319.9360 9.650497
320.4181 11.19917
320.9002 12.23705
321.3824 13.34155
321.8645 14.54253
322.3466 15.81860
322.8287 17.15221
323.3108 18.52885
323.7929 19.96770
324.2751 21.51738
324.7572 23.28436
325.2393 24.96512
325.7214 26.35019
326.2035 27.85297
326.6856 29.84248
327.1678 32.29318
327.6499 34.83408
328.1320 37.06323
328.6141 38.88300
329.0962 40.88094
329.5783 43.26682
330.0605 45.58945
330.5426 47.64877
331.0247 49.51605
331.5068 51.39459
331.9889 53.46542
332.4710 55.68369
332.9532 57.34067
333.4353 58.18425
333.9174 58.65572
334.3995 58.83318
334.8816 58.69501
335.3637 58.18761
335.8459 57.29994
336.3280 56.08545
336.8101 54.62306
337.2922 52.49474
337.7743 50.67897
338.2564 49.40907
338.7386 48.36470
339.2206 47.25234
339.7028 45.98319
340.1849 44.70561
340.6670 43.62491
341.1491 42.71362
341.6312 42.09198
342.1133 41.77722
342.5955 41.67680
343.0776 41.76141
343.5597 42.02854
344.0418 42.48170
344.5239 43.13829
345.0060 44.01814
345.4882 44.98821
345.9703 46.24364
346.4524 47.38155
346.9345 48.18932
347.4166 48.81661
347.8987 49.56053
348.3809 50.62398
348.8630 51.89575
349.3451 52.92080
349.8272 53.75037
350.3093 54.21391
350.7914 54.27472
351.2736 54.01241
351.7557 53.49948
352.2378 52.76057
352.7199 51.78662
353.2020 50.55452
353.6841 49.02917
354.1663 47.34219
354.6484 45.36795
355.1305 43.34559
355.6126 41.43415
356.0947 39.63647
356.5768 37.83809
357.0590 35.89655
357.5411 33.81557
358.0232 31.82584
358.5053 29.93253
358.9874 28.14771
359.4695 26.50281
359.9517 24.96918
360.4338 23.49663
360.9159 22.04840
361.3980 20.64665
361.8801 19.30706
362.3622 17.95501
362.8444 16.86100
363.3265 16.23377
363.8086 15.83671
364.2907 15.45853
364.7728 15.04313
365.2549 14.57466
365.7371 13.95979
366.2192 13.15445
366.7013 12.58768
367.1834 12.58622
367.6655 12.68003
368.1476 12.50137
368.6298 12.04320
369.1119 11.56733
369.5940 11.30086
370.0761 11.18856
370.5582 10.96516
371.0403 10.55987
371.5225 10.15056
372.0046 9.919952
372.4867 9.782005
372.9688 9.515961
373.4509 8.930290
373.9330 8.235542
374.4152 7.797638
374.8973 7.659271
375.3794 7.436691
375.8615 6.934090
376.3436 6.227776
376.8257 5.422417
377.3079 4.485809
377.7900 3.547218
378.2721 2.650795
378.7542 1.816086
379.2363 1.121872
379.7184 0.5682450
380.2006 0.1987760
380.6827 0.1392670
381.1648 0.3823170
381.6469 0.5601430
382.1290 0.5749210
382.6111 0.4476850
383.0933 0.1463240
383.5754 0.3459240
384.0575 0.7886120
384.5396 0.9917140
385.0217 0.9619060
385.5038 0.8934710
385.9860 0.7915040
386.4681 0.6508030
386.9502 0.3689800
387.4323 2.3293000E-02
387.9144 0.1019060
388.3965 0.1649860
388.8787 0.6772840
389.3608 1.068111
389.8429 1.387577
390.3250 1.530449
390.8071 1.346107
391.2892 1.029568
391.7714 0.7687800
392.2535 0.6137500
392.7356 0.6217120
393.2177 0.8980900
393.6998 1.540180
394.1819 1.960030
394.6641 2.035042
395.1462 2.023327
395.6283 2.065746
396.1104 2.145512
396.5925 2.173702
397.0746 2.093067
397.5568 1.914593
398.0389 1.700134
398.5210 1.469185
399.0031 1.175400
399.4852 0.7576680
399.9673 0.2988200
400.4495 0.1351130
400.9316 0.5162240
401.4137 0.8177340
401.8958 0.9550970
402.3779 0.7337230
402.8600 0.8945390
403.3422 1.668781
403.8243 2.562332
404.3064 3.425274
404.7885 4.196587
405.2706 4.792683
405.7527 5.101261
406.2349 5.184086
406.7170 5.549969
407.1991 6.490131
407.6812 7.297867
408.1633 7.807816
408.6454 8.112278
409.1276 8.322372
409.6097 8.478481
410.0918 8.524681
410.5739 8.327312
411.0560 7.825867
411.5381 7.413261
412.0203 7.194408
412.5024 7.049995
412.9845 6.865910
413.4666 6.676388
413.9487 6.650150
414.4308 6.995708
414.9130 7.610237
415.3951 8.103127
415.8772 8.444656
416.3593 8.736031
416.8414 8.925900
417.3235 9.129181
417.8057 9.518883
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418.7699 10.95161
419.2520 11.82829
419.7341 12.78257
420.2162 13.75018
420.6984 14.78442
421.1805 15.71722
421.6626 16.29362
422.1447 16.52138
422.6268 16.73438
423.1089 17.08459
423.5911 17.47552
424.0732 17.83926
424.5553 18.16962
425.0374 18.27478
425.5195 17.97549
426.0016 17.29610
426.4838 16.57169
426.9659 15.80373
427.4480 14.99241
427.9301 14.01773
428.4122 13.01041
428.8943 12.29833
429.3765 12.02316
429.8586 11.94281
430.3407 11.63403
430.8228 10.95854
431.3049 10.33903
431.7870 9.827934
432.2692 9.340557
432.7513 8.801067
433.2334 8.220509
433.7155 7.660259
434.1976 7.168556
434.6797 6.746746
435.1619 6.404400
435.6440 6.223045
436.1261 6.027485
436.6082 5.732849
437.0903 5.432934
437.5724 5.246185
438.0546 5.209206
438.5367 5.248379
439.0188 5.213306
439.5009 4.976070
439.9830 5.060108
440.4651 5.842617
440.9473 6.615887
441.4294 6.973438
441.9115 7.024517
442.3936 7.160412
442.8757 7.704388
443.3578 8.496449
443.8400 8.940197
444.3221 8.885994
444.8042 8.876194
445.2863 9.183086
445.7684 9.574280
446.2505 9.815571
446.7327 9.844395
447.2148 9.817791
447.6969 9.932045
448.1790 10.14305
448.6611 10.12943
449.1432 9.749466
449.6254 9.334007
450.1075 9.259102
450.5896 9.389488
451.0717 9.298119
451.5538 8.701694
452.0359 7.929909
452.5181 7.340721
453.0002 6.906719
453.4823 6.354240
453.9644 5.499302
454.4465 4.518005
454.9286 3.826965
455.4108 3.490761
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