#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:05 +0300 (Thu, 24 May 2018) $
#$Revision: 782 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000279.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_1000279
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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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               1000279
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
130.4596 0.0000000E+00
130.9418 2.779366
131.4239 5.745956
131.9060 7.856339
132.3881 9.148224
132.8702 10.04796
133.3523 10.48518
133.8345 10.54820
134.3166 10.19951
134.7987 9.425461
135.2808 8.654877
135.7629 7.975372
136.2450 7.323837
136.7272 6.405167
137.2093 5.088165
137.6914 3.854309
138.1735 3.254211
138.6556 3.398239
139.1377 3.674919
139.6199 3.845261
140.1020 3.897385
140.5841 4.474617
141.0662 5.691322
141.5483 7.245201
142.0304 8.761543
142.5126 10.15262
142.9947 11.62991
143.4768 12.89518
143.9589 13.73991
144.4410 14.46973
144.9231 14.84077
145.4053 15.29854
145.8874 16.60628
146.3695 19.26721
146.8516 21.93665
147.3337 24.17189
147.8158 26.06276
148.2980 27.49303
148.7801 28.21535
149.2622 28.43440
149.7443 28.70567
150.2264 29.06512
150.7085 29.45106
151.1907 29.90379
151.6728 30.89989
152.1549 31.14902
152.6370 30.42251
153.1191 28.96104
153.6012 27.37096
154.0834 25.76044
154.5655 23.99470
155.0476 21.98285
155.5297 19.68477
156.0118 17.34145
156.4939 14.91198
156.9761 12.56576
157.4582 10.98161
157.9403 10.52406
158.4224 10.72737
158.9045 11.31453
159.3866 11.80849
159.8688 12.15540
160.3509 12.51585
160.8330 13.13670
161.3151 13.67303
161.7972 13.75738
162.2793 13.62249
162.7615 13.59985
163.2436 14.03993
163.7257 14.33215
164.2078 14.17390
164.6899 13.68033
165.1720 13.11867
165.6541 12.28806
166.1363 11.54881
166.6184 11.24153
167.1005 11.20395
167.5826 11.55556
168.0647 11.78864
168.5468 11.90936
169.0290 11.57725
169.5111 11.83190
169.9932 11.85229
170.4753 11.86346
170.9574 12.20211
171.4395 11.93845
171.9217 12.27249
172.4038 12.70947
172.8859 13.36958
173.3680 14.14059
173.8501 14.88931
174.3322 15.39786
174.8144 15.42883
175.2965 15.24036
175.7786 15.11525
176.2607 15.05816
176.7428 15.04742
177.2249 15.28963
177.7071 15.58571
178.1892 15.45734
178.6713 14.45434
179.1534 12.95584
179.6355 11.59892
180.1176 10.40987
180.5998 9.182594
181.0819 7.538246
181.5640 5.621323
182.0461 3.895111
182.5282 2.682495
183.0103 1.816948
183.4925 0.9463880
183.9746 6.1469998E-02
184.4567 0.8226090
184.9388 1.681366
185.4209 2.523834
185.9030 3.363426
186.3852 4.336182
186.8673 5.332901
187.3494 5.971184
187.8315 6.202766
188.3136 5.964905
188.7957 5.536583
189.2779 4.949135
189.7600 4.513420
190.2421 4.528793
190.7242 4.891655
191.2063 5.000648
191.6884 4.811737
192.1706 4.414268
192.6527 3.865791
193.1348 3.166496
193.6169 2.527237
194.0990 2.075096
194.5811 1.800888
195.0633 1.525032
195.5454 1.256828
196.0275 0.9566500
196.5096 0.5867690
196.9917 0.1527560
197.4738 0.4174880
197.9560 1.243187
198.4381 2.322701
198.9202 3.206223
199.4023 3.801964
199.8844 4.295952
200.3665 5.082588
200.8487 6.217682
201.3308 7.345390
201.8129 8.228394
202.2950 8.834511
202.7771 9.640236
203.2592 10.70907
203.7414 11.94682
204.2235 13.19410
204.7056 14.45731
205.1877 15.65307
205.6698 16.66989
206.1519 17.44300
206.6341 18.47466
207.1162 19.82799
207.5983 21.39000
208.0804 22.90678
208.5625 24.34437
209.0446 25.79048
209.5268 27.33158
210.0089 29.03790
210.4910 30.48907
210.9731 31.59850
211.4552 32.50706
211.9373 33.48380
212.4195 34.45772
212.9016 35.66570
213.3837 37.31467
213.8658 39.62150
214.3479 41.61002
214.8300 43.28442
215.3121 44.63200
215.7943 45.58711
216.2764 46.03230
216.7585 46.30374
217.2406 46.57382
217.7227 46.91385
218.2048 47.00826
218.6870 46.85249
219.1691 46.44781
219.6512 45.76760
220.1333 44.70274
220.6154 43.55965
221.0975 42.46312
221.5797 41.46597
222.0618 40.38828
222.5439 39.19447
223.0260 37.94099
223.5081 36.71011
223.9902 35.47112
224.4724 34.33286
224.9545 33.36737
225.4366 32.59860
225.9187 31.91929
226.4008 31.32369
226.8829 30.81386
227.3651 30.39967
227.8472 30.06839
228.3293 29.84615
228.8114 29.78496
229.2935 30.00185
229.7757 29.98328
230.2578 29.56833
230.7399 28.99263
231.2220 28.73186
231.7041 28.93251
232.1862 29.19714
232.6684 29.30862
233.1505 29.03069
233.6326 29.42017
234.1147 30.89268
234.5968 32.80906
235.0789 33.92030
235.5611 33.69749
236.0432 33.52560
236.5253 33.87205
237.0074 34.85222
237.4895 35.91914
237.9716 37.12238
238.4538 38.37790
238.9359 39.59493
239.4180 41.02542
239.9001 41.99147
240.3822 42.22537
240.8643 41.58220
241.3465 40.86971
241.8286 40.08195
242.3107 39.20699
242.7928 38.23215
243.2749 37.12854
243.7570 35.97612
244.2392 34.80226
244.7213 33.62253
245.2034 32.31926
245.6855 30.88385
246.1676 29.40155
246.6497 27.89780
247.1319 26.09371
247.6140 24.82365
248.0961 24.52078
248.5782 25.36764
249.0603 25.19690
249.5424 23.49647
250.0246 21.32512
250.5067 19.84549
250.9888 19.38837
251.4709 18.99733
251.9530 18.44043
252.4351 17.68942
252.9173 17.10503
253.3994 16.82432
253.8815 16.54433
254.3636 15.91289
254.8457 14.65125
255.3278 13.68637
255.8100 13.31144
256.2921 13.48383
256.7742 13.22061
257.2563 12.23857
257.7384 11.19276
258.2205 10.67628
258.7026 10.89206
259.1848 11.11934
259.6669 11.27162
260.1490 11.35252
260.6311 11.34409
261.1132 11.19763
261.5953 11.04648
262.0775 10.96648
262.5596 10.92334
263.0417 11.05228
263.5238 11.35403
264.0059 11.83644
264.4880 12.60715
264.9702 13.76611
265.4523 15.00201
265.9344 16.09084
266.4165 16.96973
266.8986 17.96431
267.3807 19.12471
267.8629 20.41768
268.3450 21.68980
268.8271 22.83429
269.3092 24.26433
269.7913 26.35265
270.2734 29.27057
270.7556 31.93129
271.2377 34.20676
271.7198 36.30194
272.2019 38.70059
272.6840 41.42998
273.1661 44.38596
273.6483 47.54495
274.1304 50.90656
274.6125 54.40355
275.0946 58.06538
275.5767 61.78427
276.0588 65.36908
276.5410 68.78702
277.0231 72.16927
277.5052 75.49802
277.9873 78.78313
278.4694 82.10812
278.9515 85.59579
279.4337 88.84267
279.9158 91.24120
280.3979 92.73752
280.8800 93.86644
281.3621 94.87625
281.8442 95.71500
282.3264 95.75703
282.8085 94.93094
283.2906 93.57404
283.7727 91.95883
284.2548 90.08595
284.7369 88.21512
285.2191 86.36629
285.7012 84.59344
286.1833 83.08542
286.6654 81.86977
287.1475 80.73334
287.6296 79.40549
288.1118 77.91965
288.5939 76.67030
289.0760 75.67119
289.5581 75.02025
290.0402 75.03911
290.5223 75.74203
291.0045 76.69208
291.4866 77.41057
291.9687 78.03761
292.4508 79.33650
292.9329 81.66710
293.4150 84.38829
293.8972 86.48448
294.3793 87.99286
294.8614 89.33052
295.3435 90.86856
295.8256 92.45070
296.3077 93.68513
296.7899 94.57661
297.2720 94.93015
297.7541 94.47797
298.2362 93.25320
298.7183 91.36958
299.2004 88.87946
299.6826 85.78104
300.1647 81.91069
300.6468 77.21475
301.1289 72.12314
301.6110 66.88197
302.0931 61.56317
302.5753 56.19736
303.0574 50.76576
303.5395 45.34961
304.0216 40.06966
304.5037 34.87785
304.9858 30.06964
305.4680 25.92760
305.9501 22.31924
306.4322 19.01701
306.9143 15.29875
307.3964 11.02992
307.8785 10.06218
308.3607 8.977783
308.8428 7.783539
309.3249 6.138672
309.8070 5.082932
310.2891 3.795547
310.7712 2.501343
311.2534 2.951828
311.7355 2.555206
312.2176 2.481750
312.6997 2.674774
313.1818 3.309296
313.6639 4.075424
314.1461 4.676987
314.6282 4.864502
315.1103 5.287979
315.5924 6.411362
316.0745 7.999924
316.5566 9.583817
317.0388 10.88226
317.5209 12.17625
318.0030 13.70000
318.4851 15.58115
318.9672 17.27612
319.4493 18.44884
319.9315 19.36456
320.4136 20.38879
320.8957 21.68730
321.3778 23.04460
321.8599 24.44002
322.3420 25.88451
322.8242 27.18979
323.3063 28.35109
323.7884 29.33969
324.2705 30.13098
324.7526 30.38792
325.2347 30.80241
325.7169 31.60361
326.1990 32.75662
326.6811 33.76263
327.1632 34.22285
327.6453 34.77423
328.1274 35.77020
328.6096 37.58573
329.0917 39.39972
329.5738 41.23755
330.0559 43.07155
330.5380 44.79216
331.0201 46.34013
331.5023 47.83052
331.9844 49.34848
332.4665 51.05698
332.9486 52.38502
333.4307 53.23781
333.9128 53.72775
334.3950 54.06102
334.8771 54.26215
335.3592 54.28046
335.8413 53.99355
336.3234 53.32645
336.8055 53.21260
337.2877 53.94585
337.7698 54.76445
338.2519 54.92191
338.7340 54.42496
339.2161 53.27190
339.6982 51.17810
340.1803 48.40199
340.6624 46.65711
341.1446 46.05749
341.6267 45.89149
342.1088 45.56067
342.5909 45.06784
343.0730 45.21518
343.5551 46.32434
344.0373 47.87541
344.5194 48.50374
345.0015 48.15091
345.4836 47.86601
345.9657 48.42397
346.4478 49.66988
346.9300 50.67087
347.4121 51.34442
347.8942 51.87912
348.3763 52.56975
348.8584 53.38996
349.3405 54.15422
349.8227 54.86488
350.3048 55.44847
350.7869 55.74487
351.2690 55.75581
351.7511 55.53785
352.2332 55.21097
352.7154 54.69438
353.1975 53.79417
353.6796 52.29948
354.1617 50.54635
354.6438 48.99745
355.1259 47.57195
355.6081 45.85675
356.0902 43.16052
356.5723 40.17496
357.0544 37.70056
357.5365 36.04669
358.0186 34.63245
358.5008 33.10307
358.9829 31.52417
359.4650 30.03795
359.9471 28.78916
360.4292 27.59738
360.9113 26.32307
361.3935 24.94854
361.8756 23.64375
362.3577 22.43977
362.8398 21.36169
363.3219 20.43759
363.8040 19.62374
364.2862 19.01862
364.7683 18.71933
365.2504 18.71041
365.7325 18.72246
366.2146 18.92546
366.6967 18.98750
367.1789 18.70272
367.6610 17.56335
368.1431 16.65404
368.6252 16.02729
369.1073 15.67606
369.5894 15.58077
370.0716 15.95328
370.5537 16.35996
371.0358 16.64394
371.5179 16.74905
372.0000 16.91612
372.4821 17.28410
372.9643 17.61841
373.4464 17.54831
373.9285 16.80500
374.4106 16.24336
374.8927 16.16600
375.3748 16.53988
375.8570 16.47568
376.3391 15.86061
376.8212 15.03515
377.3033 14.22379
377.7854 13.41879
378.2675 12.74019
378.7497 12.22952
379.2318 11.82299
379.7139 11.40812
380.1960 11.01112
380.6781 10.38680
381.1602 9.243317
381.6424 7.687065
382.1245 6.413834
382.6066 5.462082
383.0887 4.714294
383.5708 4.057487
384.0529 3.482109
384.5351 2.892471
385.0172 2.193642
385.4993 1.497627
385.9814 1.010384
386.4635 0.7286300
386.9456 0.4493030
387.4278 3.4423999E-02
387.9099 0.6066820
388.3920 1.085220
388.8741 1.391266
389.3562 1.640770
389.8383 1.969673
390.3205 2.338997
390.8026 2.621147
391.2847 2.643051
391.7668 2.620476
392.2489 2.729767
392.7310 3.009041
393.2132 3.323204
393.6953 3.733826
394.1774 4.095970
394.6595 4.236420
395.1416 3.823578
395.6237 3.441704
396.1059 3.300949
396.5880 3.395180
397.0701 3.538582
397.5522 3.924980
398.0343 4.189743
398.5164 4.111267
398.9986 3.259087
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399.9628 2.244888
400.4449 2.092911
400.9270 1.899078
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401.8913 1.421997
402.3734 0.9369660
402.8555 0.2120590
403.3376 0.4055020
403.8197 0.8488850
404.3018 1.263023
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405.2661 2.629143
405.7482 3.317230
406.2303 3.812950
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407.6767 4.918175
408.1588 5.303329
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410.0872 6.354843
410.5694 6.361839
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411.5336 6.179230
412.0157 6.082100
412.4978 6.032730
412.9799 6.034531
413.4621 6.091881
413.9442 6.204689
414.4263 6.372009
414.9084 6.632599
415.3905 6.938927
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421.1759 14.82668
421.6581 16.02499
422.1402 17.00146
422.6223 17.68931
423.1044 18.12175
423.5865 18.19402
424.0686 17.95564
424.5508 17.77568
425.0329 17.81884
425.5150 17.82167
425.9971 17.64330
426.4792 17.08327
426.9613 16.78420
427.4435 16.99995
427.9256 17.34023
428.4077 17.15939
428.8898 16.25014
429.3719 15.26005
429.8540 14.30893
430.3362 13.40714
430.8183 12.66883
431.3004 12.13826
431.7825 11.65901
432.2646 11.09390
432.7467 10.44529
433.2289 9.810059
433.7110 9.182365
434.1931 8.630836
434.6752 8.386467
435.1573 8.412971
435.6394 8.317276
436.1216 7.756752
436.6036 6.950165
437.0858 6.370499
437.5679 6.023247
438.0500 5.863525
438.5321 5.886787
439.0142 6.064445
439.4963 6.359177
439.9785 6.822044
440.4606 7.313965
440.9427 7.697205
441.4248 8.012871
441.9069 8.377869
442.3890 8.917915
442.8712 9.478516
443.3533 9.913635
443.8354 10.15077
444.3175 10.55827
444.7996 11.50996
445.2817 12.56676
445.7639 13.28209
446.2460 13.27588
446.7281 13.26549
447.2102 13.44812
447.6923 13.76866
448.1744 13.86074
448.6566 13.63858
449.1387 13.30099
449.6208 12.93105
450.1029 12.53526
450.5850 12.03547
451.0671 11.42419
451.5493 10.71146
452.0314 9.870590
452.5135 8.853050
452.9956 8.081482
453.4777 7.791992
453.9598 7.794563
454.4420 7.187088
454.9241 5.902710
455.4062 4.614548
455.8883 3.903587
456.3704 3.674942
456.8525 3.465790
457.3347 3.204147
457.8168 2.947929
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