#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:03:08 +0300 (Thu, 26 Apr 2018) $
#$Revision: 633 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000167.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_1000167
loop_
_publ_author_name
'Malinovskii, Y. A.'
'Pobedimskaya, E. A.'
'Belov, N. V.'
_publ_section_title
;
 Crystal structure of muirite Ba9(Ca,Ba)(Ca,Ti)4(OH)8[Si8O24](Cl,OH)8
;
_journal_name_full               'Soviet Physics Doklady'
_journal_page_first              163
_journal_page_last               164
_journal_volume                  20
_journal_year                    1975
_chemical_compound_source        'Big Creek, Fresno County, California, USA'
_chemical_formula_sum            'Ba9.5 Ca3.5 Cl4 H12 O36 Si8 Ti'
_chemical_name_mineral           Muirite
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.000
_cell_length_b                   14.000
_cell_length_c                   5.625
_cell_volume                     1102.500
_exptl_crystal_density_diffrn    3.686
_cod_original_formula_sum        'Ba9.5 Ca3.5 Ti Si8 O36 Cl4 H12'
_cod_database_code               9015762
_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            R140248.rod
_rod_data_source.block           3500000
_rod_database.code               1000167
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 9015762 COD http://www.crystallography.net/cod/9015762.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
166.7701 0.0000000E+00
167.2522 1.633484
167.7343 2.622375
168.2164 1.685486
168.6985 0.4990840
169.1807 1.341431
169.6628 2.573853
170.1449 3.240784
170.6270 3.319458
171.1091 4.901672
171.5912 5.281311
172.0734 6.123779
172.5555 6.576538
173.0376 6.835938
173.5197 6.773865
174.0018 5.929504
174.4839 3.763428
174.9661 0.7504880
175.4482 0.3682860
175.9303 1.942749
176.4124 7.100647
176.8945 12.08728
177.3766 15.06513
177.8588 17.27118
178.3409 19.27496
178.8230 21.26373
179.3051 23.53741
179.7872 27.24744
180.2693 29.67352
180.7515 30.11444
181.2336 28.78699
181.7157 26.37073
182.1978 23.35010
182.6799 19.63910
183.1620 16.12665
183.6441 12.96967
184.1263 9.827454
184.6084 6.167725
185.0905 2.227173
185.5726 1.027832
186.0547 2.660095
186.5368 2.417603
187.0190 1.695740
187.5011 7.8247003E-02
187.9832 1.703796
188.4653 3.232239
188.9474 4.442139
189.4296 5.260986
189.9117 5.438049
190.3938 5.000000
190.8759 4.867065
191.3580 4.613892
191.8401 4.957703
192.3223 7.203552
192.8044 11.85242
193.2865 16.55750
193.7686 18.68597
194.2507 18.94409
194.7328 19.18945
195.2150 19.84424
195.6971 20.88715
196.1792 22.32483
196.6613 24.24609
197.1434 26.36957
197.6255 28.46222
198.1077 30.57025
198.5898 32.80548
199.0719 35.57294
199.5540 38.61230
200.0361 40.74725
200.5182 41.47498
201.0004 41.97205
201.4825 42.69629
201.9646 44.07361
202.4467 46.19891
202.9288 48.98688
203.4109 52.34540
203.8930 54.56573
204.3752 55.49274
204.8573 56.27386
205.3394 57.42615
205.8215 58.74976
206.3036 59.68402
206.7857 59.68372
207.2679 58.67590
207.7500 58.18701
208.2321 59.16742
208.7142 59.81842
209.1963 59.48694
209.6784 58.30273
210.1606 56.70270
210.6427 54.94147
211.1248 52.89703
211.6069 51.91223
212.0890 52.94110
212.5711 54.03076
213.0533 54.26941
213.5354 53.81512
214.0175 53.40137
214.4996 53.67590
214.9817 54.68488
215.4638 56.19568
215.9460 58.42365
216.4281 60.84094
216.9102 63.58954
217.3923 66.43085
217.8744 68.62622
218.3565 69.40662
218.8387 68.55896
219.3208 67.91858
219.8029 67.63660
220.2850 67.40912
220.7671 67.03485
221.2492 66.51691
221.7314 65.99139
222.2135 65.53992
222.6956 65.17816
223.1777 65.03735
223.6598 65.65045
224.1419 66.09686
224.6240 65.96185
225.1062 64.88147
225.5883 63.38434
226.0704 61.92499
226.5525 60.40991
227.0346 58.31781
227.5167 55.62317
227.9989 52.34497
228.4810 48.32074
228.9631 43.52441
229.4452 38.67804
229.9273 34.21539
230.4094 30.15289
230.8916 26.49316
231.3737 23.62299
231.8558 20.95990
232.3379 17.67743
232.8200 13.62109
233.3021 9.792053
233.7843 6.884399
234.2664 4.712524
234.7485 3.233948
235.2306 2.950012
235.7127 2.938416
236.1948 1.698181
236.6770 1.166931
237.1591 3.694092
237.6412 4.641907
238.1233 4.762573
238.6054 4.846741
239.0875 5.255615
239.5697 5.556763
240.0518 4.926514
240.5339 3.051636
241.0160 1.244568
241.4981 0.2554320
241.9802 0.5170900
242.4624 1.663635
242.9445 3.406616
243.4266 5.340942
243.9087 6.884338
244.3908 7.859253
244.8729 9.410278
245.3550 12.03217
245.8372 15.25159
246.3193 18.83643
246.8014 22.75031
247.2835 26.59375
247.7656 29.68542
248.2477 31.73401
248.7299 33.65228
249.2120 35.46991
249.6941 37.31244
250.1762 39.30261
250.6583 41.47913
251.1404 43.75195
251.6226 46.00189
252.1047 48.32385
252.5868 50.37140
253.0689 51.73981
253.5510 53.11462
254.0331 55.19281
254.5153 58.06934
254.9974 61.05481
255.4795 62.95160
255.9616 62.74475
256.4437 63.68188
256.9258 66.04022
257.4080 69.15533
257.8901 72.80792
258.3722 76.85486
258.8543 81.05206
259.3364 85.04285
259.8185 88.61584
260.3007 92.53186
260.7828 97.09564
261.2649 101.7222
261.7470 106.0982
262.2291 110.1777
262.7112 113.9915
263.1934 117.5508
263.6755 120.6846
264.1576 124.2077
264.6397 128.6724
265.1218 132.9781
265.6039 136.8210
266.0861 140.0024
266.5682 142.1119
267.0503 142.5557
267.5324 140.9025
268.0145 140.3820
268.4966 142.0662
268.9788 143.6804
269.4609 144.0149
269.9430 143.2186
270.4251 142.2220
270.9072 141.7687
271.3893 141.9235
271.8715 141.3802
272.3536 139.3022
272.8357 137.5452
273.3178 136.9425
273.7999 137.3271
274.2820 138.2663
274.7642 139.6325
275.2463 141.2628
275.7284 141.3044
276.2105 138.3185
276.6926 135.5929
277.1747 134.6392
277.6568 134.8442
278.1389 134.7008
278.6211 133.3734
279.1032 131.0894
279.5853 128.7562
280.0674 126.3064
280.5495 123.8964
281.0316 121.6093
281.5138 119.3824
281.9959 117.2372
282.4780 115.2747
282.9601 113.1183
283.4422 109.6729
283.9243 104.0529
284.4065 99.00769
284.8886 95.31561
285.3707 92.47272
285.8528 89.87158
286.3349 87.35626
286.8170 84.74963
287.2992 81.56049
287.7813 77.40686
288.2634 74.00806
288.7455 71.50830
289.2276 69.97540
289.7097 69.72021
290.1919 70.84094
290.6740 72.62469
291.1561 74.30188
291.6382 75.86261
292.1203 77.35413
292.6024 78.33704
293.0846 79.50769
293.5667 81.77448
294.0488 85.23218
294.5309 88.71606
295.0130 90.85077
295.4951 91.74701
295.9773 94.00623
296.4594 98.70435
296.9415 104.0619
297.4236 108.8186
297.9057 112.9726
298.3878 117.0507
298.8700 121.2285
299.3521 125.5062
299.8342 130.0787
300.3163 135.2672
300.7984 140.4055
301.2805 145.4416
301.7627 150.2227
302.2448 154.1409
302.7269 156.7985
303.2090 158.4117
303.6911 159.8997
304.1732 162.2309
304.6554 163.0079
305.1375 160.5837
305.6196 155.7577
306.1017 150.5180
306.5838 145.5504
307.0659 140.6347
307.5481 135.4523
308.0302 130.1415
308.5123 124.2694
308.9944 117.3677
309.4765 109.8915
309.9586 102.6088
310.4408 95.70190
310.9229 89.17932
311.4050 83.02533
311.8871 77.13055
312.3692 72.25757
312.8513 69.35901
313.3335 67.19434
313.8156 64.20435
314.2977 60.15179
314.7798 55.86865
315.2619 52.09448
315.7440 48.78870
316.2262 45.38873
316.7083 41.32635
317.1904 37.52124
317.6725 34.89838
318.1546 33.40656
318.6367 32.18518
319.1188 30.81830
319.6010 29.22577
320.0831 27.19110
320.5652 24.32581
321.0473 21.40985
321.5294 18.87555
322.0115 16.65564
322.4937 14.34015
322.9758 11.53998
323.4579 8.809753
323.9400 7.735107
324.4221 9.028198
324.9042 10.09857
325.3864 10.28284
325.8685 9.594910
326.3506 7.693604
326.8327 4.188599
327.3148 0.4886470
327.7969 0.9077760
328.2791 0.3809200
328.7612 1.193787
329.2433 0.6922610
329.7254 0.4586180
330.2075 1.596008
330.6896 2.606506
331.1718 3.456116
331.6539 4.151123
332.1360 4.671204
332.6181 4.800476
333.1002 4.602905
333.5823 3.957092
334.0645 2.526733
334.5466 0.4342650
335.0287 1.572510
335.5108 2.927307
335.9929 3.749390
336.4750 4.903809
336.9572 7.012268
337.4393 8.762085
337.9214 9.012451
338.4035 8.465698
338.8856 8.994751
339.3677 11.67145
339.8499 15.50568
340.3320 17.68103
340.8141 17.53491
341.2962 17.11737
341.7783 16.61713
342.2604 16.16193
342.7426 16.12811
343.2247 16.63879
343.7068 16.94080
344.1889 15.77179
344.6710 12.09229
345.1531 9.802490
345.6353 9.846619
346.1174 10.74933
346.5995 11.49164
347.0816 11.94672
347.5637 12.37799
348.0458 12.97296
348.5280 13.70862
349.0101 14.71320
349.4922 15.95837
349.9743 17.51740
350.4564 19.41205
350.9385 21.62640
351.4207 24.13593
351.9028 26.91174
352.3849 29.93713
352.8670 33.23657
353.3491 36.47272
353.8312 40.49231
354.3134 45.94775
354.7955 51.92529
355.2776 57.59204
355.7597 62.63702
356.2418 66.99457
356.7239 70.62982
357.2061 73.90869
357.6882 75.43060
358.1703 73.73303
358.6524 71.51807
359.1345 70.92041
359.6166 71.91541
360.0987 72.81750
360.5808 71.85632
361.0630 68.74756
361.5451 66.39874
362.0272 66.47876
362.5093 65.61084
362.9914 61.82397
363.4735 56.24200
363.9557 51.10553
364.4378 47.76044
364.9199 45.93451
365.4020 44.45624
365.8841 43.45862
366.3662 42.68378
366.8484 42.41443
367.3305 42.17700
367.8126 41.29370
368.2947 39.61743
368.7768 37.91962
369.2589 37.67731
369.7411 39.98956
370.2232 40.71619
370.7053 38.07880
371.1874 35.29938
371.6695 33.84595
372.1516 33.86102
372.6338 34.85614
373.1159 36.60034
373.5980 39.06311
374.0801 41.38257
374.5622 43.67908
375.0443 45.60901
375.5265 47.26929
376.0086 48.51886
376.4907 48.92914
376.9728 48.05621
377.4549 46.84137
377.9370 47.66663
378.4192 51.49017
378.9013 54.71002
379.3834 56.08008
379.8655 56.67877
380.3476 57.08411
380.8297 57.36908
381.3119 57.67993
381.7940 58.41351
382.2761 59.53241
382.7582 59.97278
383.2403 59.16998
383.7224 58.11432
384.2046 57.50250
384.6867 57.24622
385.1688 56.95020
385.6509 56.44617
386.1330 55.79059
386.6151 54.92139
387.0973 53.69415
387.5794 52.54956
388.0615 52.25055
388.5436 52.03589
389.0257 50.68829
389.5078 47.46472
389.9900 44.04315
390.4721 41.79047
390.9542 40.60425
391.4363 40.14490
391.9184 40.88635
392.4005 41.87463
392.8827 41.48627
393.3648 39.61914
393.8469 37.84381
394.3290 37.13873
394.8111 36.80133
395.2932 35.76532
395.7754 33.86517
396.2575 31.25775
396.7396 27.54285
397.2217 22.98944
397.7038 20.11017
398.1859 20.37061
398.6681 21.09967
399.1501 20.63617
399.6323 19.15887
400.1144 17.30688
400.5965 15.18896
401.0786 13.24200
401.5607 12.93610
402.0428 15.43500
402.5250 17.22510
403.0071 17.31152
403.4892 16.57080
403.9713 15.71729
404.4534 14.98358
404.9355 14.82928
405.4177 16.00189
405.8998 19.04932
406.3819 20.50940
406.8640 19.36542
407.3461 17.82227
407.8282 16.60590
408.3104 15.88458
408.7925 15.92340
409.2746 17.00574
409.7567 18.70013
410.2388 19.04504
410.7209 15.94604
411.2031 14.21338
411.6852 15.35516
412.1673 17.40125
412.6494 18.49207
413.1315 18.14374
413.6136 17.10425
414.0958 16.27747
414.5779 15.63721
415.0600 15.32318
415.5421 15.93567
416.0242 16.31952
416.5063 15.78503
416.9885 14.64526
417.4706 13.73035
417.9527 13.68054
418.4348 14.14301
418.9169 13.76587
419.3990 11.91187
419.8812 10.64587
420.3633 11.11121
420.8454 12.13831
421.3275 12.69946
421.8096 12.54620
422.2917 12.02740
422.7739 11.36707
423.2560 10.57721
423.7381 9.979370
424.2202 9.670349
424.7023 9.496216
425.1844 9.363037
425.6666 9.256470
426.1487 9.137512
426.6308 8.975037
427.1129 8.798035
427.5950 8.692017
428.0771 8.674438
428.5593 8.527588
429.0414 8.174988
429.5235 7.580078
430.0056 6.678467
430.4877 5.261292
430.9698 4.022766
431.4520 3.504700
431.9341 3.380554
432.4162 3.041443
432.8983 2.347717
433.3804 1.313293
433.8625 0.2232670
434.3447 2.388733
434.8268 3.818115
435.3089 3.628967
435.7910 3.408630
436.2731 4.490906
436.7552 6.528381
437.2374 8.134216
437.7195 8.444397
438.2016 7.840576
438.6837 7.783752
439.1658 9.076416
439.6479 9.885864
440.1301 9.719666
440.6122 9.227905
441.0943 9.001770
441.5764 9.171387
442.0585 9.516357
442.5406 9.803650
443.0227 10.01904
443.5049 10.24030
443.9870 10.88275
444.4691 11.09052
444.9512 10.17084
445.4333 8.723206
445.9154 7.757080
446.3976 7.849365
446.8797 8.484314
447.3618 8.657532
447.8439 8.559753
448.3260 7.452881
448.8081 4.134216
449.2903 0.5050050
449.7724 2.225647
450.2545 4.019653
450.7366 5.663391
451.2187 7.706726
451.7008 10.08551
452.1830 12.35028
452.6651 14.23236
453.1472 16.60822
453.6293 20.53290
454.1114 25.14539
454.5935 29.08301
455.0757 31.38782
455.5578 34.17499
456.0399 39.73315
456.5220 47.46112
457.0041 54.52600
457.4862 59.56934
457.9684 64.86572
458.4505 74.19513
458.9326 87.49469
459.4147 99.68311
459.8968 108.7974
460.3789 117.2518
460.8611 126.7618
461.3432 137.4741
461.8253 149.4660
462.3074 163.1513
462.7895 177.9162
463.2716 191.5346
463.7538 203.8202
464.2359 215.3408
464.7180 227.6774
465.2001 238.5236
465.6822 245.9763
466.1643 249.4912
466.6465 248.7148
467.1286 242.9174
467.6107 231.5663
468.0928 219.9102
468.5749 207.9339
469.0570 195.5340
469.5392 182.0522
470.0213 168.3964
470.5034 155.8300
470.9855 144.8819
471.4676 135.3139
471.9497 126.9659
472.4319 120.1649
472.9140 113.2030
473.3961 105.0406
473.8782 97.44110
474.3603 91.63513
474.8424 87.37939
475.3246 83.39142
475.8067 78.85034
476.2888 74.15259
476.7709 70.16248
477.2530 66.95337
477.7351 63.82263
478.2173 60.41931
478.6994 57.00903
479.1815 54.07513
479.6636 51.83337
480.1457 49.27271
480.6278 45.11359
481.1100 40.47906
481.5920 37.56976
482.0742 36.81549
482.5563 36.90967
483.0384 36.92798
483.5205 36.82220
484.0026 36.02667
484.4847 33.94708
484.9669 31.85925
485.4490 30.24432
485.9311 28.98529
486.4132 27.83911
486.8953 26.71112
487.3774 25.66278
487.8596 24.79340
488.3417 24.11890
488.8238 23.52960
489.3059 22.67926
489.7880 22.29089
490.2701 23.26495
490.7523 24.93115
491.2344 25.71472
491.7165 24.50354
492.1986 22.09741
492.6807 21.08380
493.1628 22.47534
493.6450 22.84247
494.1271 19.70605
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1254.425 3.765137
1254.907 7.478516
1255.389 10.55273
1255.871 12.51318
1256.353 11.60986
1256.835 9.308105
1257.317 7.809570
1257.799 7.339355
1258.281 7.722168
1258.764 8.934570
1259.246 11.58398
1259.728 16.63232
1260.210 20.42041
1260.692 20.21094
1261.174 19.68018
1261.656 19.48584
1262.138 20.78125
1262.620 26.93359
1263.103 33.65283
1263.585 32.16113
1264.067 24.01758
1264.549 22.36377
1265.031 29.43164
1265.513 35.14746
1265.995 40.45068
1266.477 44.46289
1266.960 47.42529
1267.442 45.79883
1267.924 37.18604
1268.406 28.37598
1268.888 27.80713
1269.370 32.73340
1269.852 35.10107
1270.334 35.57959
1270.817 34.91113
1271.299 33.60303
1271.781 33.50000
1272.263 34.61230
1272.745 35.12207
1273.227 34.35352
1273.709 33.76709
1274.191 34.59717
1274.673 35.49902
1275.156 36.61377
1275.638 36.84082
1276.120 34.66699
1276.602 31.82910
1277.084 30.09668
1277.566 29.47852
1278.048 29.58105
1278.530 30.68066
1279.012 30.01025
1279.495 26.66699
1279.977 23.97607
1280.459 22.52246
1280.941 22.30811
1281.423 23.67969
1281.905 22.66650
1282.387 15.87744
1282.869 7.211914
1283.352 2.971680
1283.834 1.719238
1284.316 2.0020001E-02
1284.798 0.0000000E+00
