#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:45:28 +0300 (Thu, 26 Apr 2018) $
#$Revision: 564 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000109.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_1000109
loop_
_publ_author_name
'Kolitsch, U.'
'Holtstam, D.'
_publ_section_title
;
 Barysilite from Garpenberg Norra, Dalarna, Sweden: occurrence and crystal
 structure refinement Locality: Garpenberg Nora mine, Dalarna, Sweden
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              353
_journal_page_last               363
_journal_paper_doi               10.1180/0026461026620034
_journal_volume                  66
_journal_year                    2002
_chemical_compound_source        R100057
_chemical_formula_sum            'Ca0.182 Mn O21 Pb7.818 Si6'
_chemical_name_mineral           Barysilite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.804
_cell_length_b                   9.804
_cell_length_c                   38.416
_cell_volume                     3197.786
_exptl_crystal_density_diffrn    6.813
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Pb7.818 Ca.182 Mn Si6 O21'
_cod_database_code               9011818
_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            R100057.rod
_rod_data_source.block           3500000
_rod_database.code               1000109
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 9011818 COD http://www.crystallography.net/cod/9011818.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
91.53320 0.0000000E+00
92.01532 0.2315060
92.49744 6.1096001E-02
92.97955 7.701294
93.46167 15.21405
93.94379 17.48700
94.42590 17.33380
94.90802 17.08368
95.39014 17.55090
95.87225 18.27936
96.35437 21.02338
96.83649 25.69250
97.31860 32.89148
97.80072 43.55774
98.28284 57.39062
98.76495 73.70300
99.24707 92.68652
99.72919 112.8517
100.2113 137.9342
100.6934 170.6810
101.1755 208.7850
101.6577 248.2351
102.1398 287.3380
102.6219 328.4919
103.1040 355.0076
103.5861 369.2352
104.0682 372.1370
104.5504 362.1465
105.0325 339.9887
105.5146 309.6954
105.9967 276.0492
106.4788 236.2180
106.9609 199.6385
107.4431 165.3900
107.9252 134.5300
108.4073 108.9371
108.8894 89.13281
109.3715 74.04919
109.8536 62.39789
110.3358 53.92914
110.8179 47.34537
111.3000 42.33591
111.7821 38.78107
112.2642 35.91055
112.7463 33.99921
113.2285 32.60229
113.7106 31.30426
114.1927 30.24332
114.6748 29.31485
115.1569 28.40808
115.6390 27.75311
116.1212 27.16077
116.6033 26.39471
117.0854 25.47464
117.5675 24.60394
118.0496 23.71790
118.5317 22.88132
119.0139 22.49577
119.4960 22.60794
119.9781 23.06152
120.4602 23.31808
120.9423 22.96724
121.4244 22.39093
121.9066 21.73128
122.3887 20.88170
122.8708 19.76698
123.3529 18.72641
123.8350 17.56168
124.3171 15.91380
124.7993 13.97842
125.2814 12.41820
125.7635 11.95631
126.2456 12.91435
126.7277 13.44693
127.2098 13.43373
127.6920 13.21893
128.1741 13.12442
128.6562 13.21269
129.1383 13.44362
129.6204 13.77109
130.1025 14.17395
130.5847 14.73254
131.0668 15.53726
131.5489 16.53299
132.0310 17.57541
132.5131 18.83160
132.9952 19.86729
133.4774 20.42584
133.9595 20.49797
134.4416 20.10529
134.9237 19.22942
135.4058 17.83441
135.8879 16.12550
136.3701 13.60426
136.8522 11.12984
137.3343 9.290726
137.8164 8.201553
138.2985 7.477432
138.7806 6.417282
139.2628 4.748703
139.7449 3.234329
140.2270 1.870743
140.7091 0.6886140
141.1912 0.2553100
141.6733 0.9271550
142.1555 1.403549
142.6376 1.917542
143.1197 2.564987
143.6018 3.146423
144.0839 3.524910
144.5660 3.838135
145.0482 4.313263
145.5303 5.093887
146.0124 6.141037
146.4945 7.187180
146.9766 8.392899
147.4587 9.449486
147.9409 10.18114
148.4230 10.63068
148.9051 10.98656
149.3872 9.647820
149.8693 8.285110
150.3514 6.944603
150.8336 5.790039
151.3157 4.580711
151.7978 3.141487
152.2799 1.480354
152.7620 0.4503560
153.2441 2.798042
153.7263 5.436981
154.2084 8.226242
154.6905 10.94985
155.1726 13.81168
155.6547 17.31487
156.1368 21.64363
156.6190 26.33166
157.1011 30.96136
157.5832 35.68753
158.0653 40.85899
158.5474 46.59953
159.0295 52.92287
159.5117 60.01383
159.9938 68.15568
160.4759 76.96885
160.9580 86.42912
161.4401 96.43730
161.9222 106.7487
162.4044 117.0493
162.8865 127.2473
163.3686 138.3304
163.8507 151.1738
164.3328 164.1391
164.8149 176.6160
165.2971 188.5683
165.7792 199.9717
166.2613 210.8538
166.7434 220.9026
167.2255 231.2371
167.7076 242.1215
168.1898 253.1078
168.6719 263.9982
169.1540 274.7499
169.6361 285.0835
170.1182 294.5371
170.6003 302.5701
171.0825 311.1088
171.5646 320.1838
172.0467 329.8058
172.5288 339.9946
173.0109 350.7595
173.4930 362.0492
173.9752 374.0430
174.4573 386.7617
174.9394 399.5615
175.4215 412.2262
175.9036 424.8936
176.3857 437.6990
176.8679 450.6773
177.3500 464.0741
177.8321 478.2025
178.3142 493.1547
178.7963 508.1542
179.2784 522.5217
179.7606 536.4902
180.2427 551.0309
180.7248 567.1028
181.2069 583.2478
181.6890 598.6442
182.1711 613.3365
182.6533 626.0627
183.1354 635.9023
183.6175 642.9191
184.0996 646.6898
184.5817 647.2388
185.0638 644.1115
185.5460 636.6464
186.0281 624.7070
186.5102 608.5856
186.9923 588.1423
187.4744 562.0076
187.9565 534.9576
188.4387 506.5061
188.9208 478.0756
189.4029 450.7498
189.8850 424.7342
190.3671 399.9498
190.8492 375.6960
191.3314 351.5074
191.8135 329.1741
192.2956 308.6617
192.7777 289.9159
193.2598 273.1074
193.7419 258.3217
194.2241 245.0977
194.7062 232.3867
195.1883 219.9701
195.6704 208.4026
196.1525 197.7537
196.6346 187.9775
197.1168 179.1151
197.5989 171.2049
198.0810 164.0201
198.5631 156.9628
199.0452 149.7251
199.5273 142.9953
200.0095 136.9788
200.4916 131.5505
200.9737 126.5304
201.4558 121.8795
201.9379 117.4985
202.4200 112.9428
202.9022 107.9129
203.3843 103.2076
203.8664 99.20578
204.3485 95.74581
204.8306 92.43232
205.3127 89.18616
205.7949 85.94176
206.2770 82.50050
206.7591 78.65639
207.2412 75.14387
207.7233 72.45634
208.2054 70.48364
208.6876 68.61282
209.1697 66.68163
209.6518 64.67553
210.1339 62.54726
210.6160 60.20417
211.0981 58.06637
211.5803 56.49503
212.0624 55.47286
212.5445 54.63994
213.0266 54.14895
213.5087 53.61814
213.9908 52.60054
214.4730 50.95845
214.9551 49.25426
215.4372 48.13732
215.9193 47.68340
216.4014 47.35496
216.8836 47.16518
217.3657 46.95851
217.8478 46.58190
218.3299 45.99810
218.8120 45.38711
219.2941 44.92241
219.7763 44.51785
220.2584 44.47276
220.7405 45.10908
221.2226 45.93253
221.7047 46.64639
222.1868 47.16389
222.6690 47.53407
223.1511 47.79821
223.6332 47.83877
224.1153 48.05382
224.5974 48.73193
225.0795 49.41190
225.5617 49.63543
226.0438 49.31554
226.5259 48.87752
227.0080 49.12403
227.4901 50.70673
227.9722 51.81415
228.4544 52.05900
228.9365 52.03218
229.4186 52.15985
229.9007 52.57728
230.3828 53.21228
230.8649 53.92177
231.3471 54.63428
231.8292 55.54087
232.3113 56.82764
232.7934 58.20876
233.2755 59.44879
233.7576 60.44844
234.2398 61.26287
234.7219 62.02100
235.2040 62.77545
235.6861 63.46685
236.1682 64.02309
236.6503 64.51688
237.1325 65.03392
237.6146 65.59418
238.0967 66.13802
238.5788 66.59686
239.0609 67.04999
239.5430 67.22803
240.0252 66.74665
240.5073 66.14568
240.9894 66.11798
241.4715 66.82246
241.9536 67.58115
242.4357 67.36505
242.9179 65.84402
243.4000 64.92845
243.8821 65.37888
244.3642 66.21642
244.8463 66.33282
245.3284 65.49528
245.8106 64.32756
246.2927 63.47503
246.7748 62.95252
247.2569 62.72825
247.7390 62.98878
248.2211 63.40015
248.7033 63.53416
249.1854 63.29726
249.6675 63.06413
250.1496 63.29201
250.6317 63.90623
251.1138 64.40671
251.5960 64.63519
252.0781 64.72285
252.5602 64.86129
253.0423 65.08652
253.5244 65.24429
254.0065 65.12900
254.4887 64.82817
254.9708 64.57014
255.4529 64.66671
255.9350 64.73338
256.4171 64.13332
256.8992 62.72834
257.3813 61.22472
257.8635 60.23227
258.3456 59.47366
258.8277 58.46580
259.3098 57.09661
259.7919 55.40200
260.2740 53.34879
260.7562 50.85830
261.2383 48.35281
261.7204 46.11266
262.2025 43.98446
262.6846 41.75857
263.1667 39.35553
263.6489 36.85505
264.1310 34.30085
264.6131 31.64802
265.0952 29.13594
265.5773 26.80026
266.0594 24.70556
266.5416 23.01332
267.0237 21.86378
267.5058 20.86651
267.9879 19.39728
268.4700 17.31010
268.9521 15.44575
269.4343 14.25945
269.9164 13.32682
270.3985 12.32663
270.8806 11.16714
271.3627 10.07473
271.8448 9.419598
272.3270 9.317722
272.8091 9.027828
273.2912 8.177570
273.7733 7.200138
274.2554 6.300755
274.7375 5.518654
275.2197 4.883842
275.7018 4.460903
276.1839 4.285820
276.6660 4.091133
277.1481 3.894524
277.6302 3.627937
278.1124 3.207970
278.5945 2.654327
279.0766 2.109142
279.5587 1.706810
280.0408 1.454449
280.5229 1.269661
281.0051 1.164845
281.4872 1.125080
281.9693 1.220093
282.4514 1.396683
282.9335 1.499619
283.4156 1.398697
283.8978 1.091866
284.3799 0.6697010
284.8620 0.2538760
285.3441 0.8846320
285.8262 0.6989820
286.3083 1.7969999E-03
286.7905 0.5333600
287.2726 0.3818550
287.7547 0.3730430
288.2368 0.9249650
288.7189 1.056213
289.2010 1.234486
289.6832 1.772797
290.1653 2.402187
290.6474 2.667728
291.1295 2.247398
291.6116 1.368988
292.0938 0.9894220
292.5759 1.592445
293.0580 2.019203
293.5401 1.977757
294.0222 1.682236
294.5043 1.327858
294.9865 0.9944190
295.4686 0.7400590
295.9507 0.7364350
296.4328 1.208130
296.9149 1.530674
297.3970 1.590237
297.8792 1.514202
298.3613 1.364811
298.8434 1.173519
299.3255 1.016678
299.8076 1.066433
300.2897 1.542118
300.7719 1.713692
301.2540 1.317421
301.7361 0.8250500
302.2182 0.4835130
302.7003 0.3579640
303.1824 0.4208640
303.6646 0.7372130
304.1467 1.526112
304.6288 1.745487
305.1109 0.9186550
305.5930 2.2880999E-02
306.0751 0.6907230
306.5573 1.072262
307.0394 1.346622
307.5215 1.694717
308.0036 2.139332
308.4857 2.333683
308.9678 1.956730
309.4500 1.635544
309.9321 1.555099
310.4142 1.669605
310.8963 1.838581
311.3784 1.952290
311.8605 2.045143
312.3427 2.398838
312.8248 3.616123
313.3069 4.376717
313.7890 4.122627
314.2711 3.379261
314.7532 2.797737
315.2354 2.698875
315.7175 2.983807
316.1996 3.401070
316.6817 4.175049
317.1638 4.715752
317.6459 4.874767
318.1281 4.848366
318.6102 4.735283
319.0923 4.587303
319.5744 4.529331
320.0565 4.806168
320.5386 5.621685
321.0208 6.303818
321.5029 6.855415
321.9850 7.267044
322.4671 7.496807
322.9492 7.560921
323.4313 7.550079
323.9135 7.583439
324.3956 7.705315
324.8777 7.636497
325.3598 7.101120
325.8419 6.629517
326.3240 6.471405
326.8062 6.555168
327.2883 6.648529
327.7704 6.560436
328.2525 6.306129
328.7346 6.160694
329.2167 6.256351
329.6989 6.318844
330.1810 6.341232
330.6631 6.278278
331.1452 6.032211
331.6273 5.526688
332.1094 4.887661
332.5916 4.524792
333.0737 4.637321
333.5558 4.698559
334.0379 4.630657
334.5200 4.472733
335.0021 4.210640
335.4843 3.846531
335.9664 3.511967
336.4485 3.473766
336.9306 3.902462
337.4127 4.115368
337.8948 3.903255
338.3770 3.584911
338.8591 3.330757
339.3412 3.157372
339.8233 2.992279
340.3055 2.755810
340.7876 2.436031
341.2697 2.133270
341.7518 1.836308
342.2339 1.640411
342.7160 1.542503
343.1982 1.526638
343.6803 1.615265
344.1624 1.821972
344.6445 2.084427
345.1266 2.338081
345.6087 2.715141
346.0909 2.930351
346.5730 2.788692
347.0551 2.490334
347.5372 2.277962
348.0193 2.250565
348.5014 2.355671
348.9836 2.515652
349.4657 2.764534
349.9478 3.055161
350.4299 3.403641
350.9120 3.655859
351.3941 3.693607
351.8763 3.527279
352.3584 3.344090
352.8405 3.309666
353.3226 3.421265
353.8047 3.617935
354.2868 3.938774
354.7690 4.289219
355.2511 4.606430
355.7332 4.891956
356.2153 5.172817
356.6974 5.526966
357.1795 5.898582
357.6617 6.033394
358.1438 5.802303
358.6259 5.551949
359.1080 5.523216
359.5901 5.623161
360.0722 5.684566
360.5544 5.599751
361.0365 5.485085
361.5186 5.482018
362.0007 5.567467
362.4828 5.806095
362.9649 6.514008
363.4471 7.284492
363.9292 7.569973
364.4113 7.215267
364.8934 6.795536
365.3755 6.751602
365.8576 7.031128
366.3398 7.345642
366.8219 7.631638
367.3040 7.930153
367.7861 8.286957
368.2682 8.697895
368.7503 9.128616
369.2325 9.652752
369.7146 10.16429
370.1967 10.46230
370.6788 10.51484
371.1609 10.46517
371.6430 10.26574
372.1252 10.03955
372.6073 10.20871
373.0894 11.39157
373.5715 12.54496
374.0536 12.68596
374.5357 11.97129
375.0179 11.31136
375.5000 11.11641
375.9821 11.28968
376.4642 11.61459
376.9463 12.20557
377.4284 12.66672
377.9106 12.83197
378.3927 12.77544
378.8748 12.55207
379.3569 12.14942
379.8390 11.79982
380.3211 11.86542
380.8033 12.45764
381.2854 12.80222
381.7675 12.67850
382.2496 12.40643
382.7317 12.19923
383.2138 12.08154
383.6960 12.03745
384.1781 12.07960
384.6602 12.19238
385.1423 12.14648
385.6244 11.86330
386.1065 11.54193
386.5887 11.28831
387.0708 11.03427
387.5529 10.64297
388.0350 10.04955
388.5171 9.336714
388.9992 8.683327
389.4814 8.140465
389.9635 7.585714
390.4456 7.041979
390.9277 6.471731
391.4098 5.820120
391.8919 5.095657
392.3741 4.364931
392.8562 3.691891
393.3383 3.068293
393.8204 2.552580
394.3025 2.208725
394.7846 1.897461
395.2668 1.549538
395.7489 1.200907
396.2310 0.9284710
396.7131 0.7809940
397.1952 0.7282050
397.6773 0.6820280
398.1595 0.7949160
398.6416 0.6431750
399.1237 4.4323001E-02
399.6058 0.8527890
400.0879 1.489416
400.5700 1.865383
401.0522 1.978016
401.5343 1.704088
402.0164 0.9219780
402.4985 0.4870910
402.9806 0.7387010
403.4627 1.067917
403.9449 1.247343
404.4270 1.292873
404.9091 1.288347
405.3912 1.265335
405.8733 1.240252
406.3554 1.312187
406.8376 1.606522
407.3197 1.681641
407.8018 1.149292
408.2839 0.4106220
408.7660 0.1209340
409.2481 0.3322510
409.7303 0.4442010
410.2124 0.7462460
410.6945 1.211645
411.1766 1.378033
411.6587 0.8794710
412.1408 0.4071330
412.6230 0.6601490
413.1051 1.551039
413.5872 2.464100
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