#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:00:31 +0300 (Thu, 24 May 2018) $
#$Revision: 862 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000346.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_1000346
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 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            R140248.rod
_rod_data_source.block           3500000
_rod_database.code               1000346
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
99.42554 0.0000000E+00
99.90765 2.9967999E-02
100.3898 2.505676
100.8719 8.678772
101.3540 11.85706
101.8361 19.68604
102.3182 19.27313
102.8004 14.35236
103.2825 5.153748
103.7646 0.5565190
104.2467 2.390747
104.7288 1.145325
105.2109 1.344666
105.6931 4.548462
106.1752 9.699158
106.6573 17.29694
107.1394 26.23541
107.6215 39.21063
108.1036 59.67505
108.5858 85.42041
109.0679 104.1240
109.5500 113.1592
110.0321 117.6725
110.5142 120.3698
110.9963 118.2787
111.4785 117.8081
111.9606 119.9318
112.4427 124.5605
112.9248 129.7515
113.4069 134.3511
113.8890 139.7693
114.3712 147.2314
114.8533 157.9104
115.3354 169.7001
115.8175 182.4684
116.2996 196.5609
116.7817 209.5243
117.2639 220.4930
117.7460 230.0284
118.2281 238.8493
118.7102 247.8784
119.1923 255.9963
119.6744 262.2097
120.1566 266.1572
120.6387 269.3050
121.1208 271.8354
121.6029 274.0709
122.0850 276.7401
122.5671 278.2789
123.0493 281.2473
123.5314 288.4987
124.0135 301.0515
124.4956 316.5074
124.9777 334.8228
125.4598 354.8259
125.9420 371.7762
126.4241 379.8460
126.9062 383.0387
127.3883 388.9701
127.8704 400.2874
128.3525 413.5769
128.8347 424.9796
129.3168 434.4366
129.7989 440.2362
130.2810 440.7189
130.7631 436.3485
131.2452 428.8959
131.7274 417.9285
132.2095 404.6074
132.6916 391.6890
133.1737 379.0408
133.6558 367.3046
134.1379 356.7244
134.6201 347.3109
135.1022 339.2994
135.5843 333.5541
136.0664 329.5824
136.5485 323.8033
137.0306 316.7474
137.5128 308.6713
137.9949 299.6669
138.4770 289.1042
138.9591 279.3923
139.4412 270.8298
139.9233 263.2059
140.4055 257.9186
140.8876 255.9720
141.3697 255.1209
141.8518 251.8964
142.3339 244.9938
142.8160 237.1263
143.2982 229.1548
143.7803 220.8555
144.2624 214.7996
144.7445 211.9656
145.2266 211.0853
145.7087 209.2348
146.1909 205.5001
146.6730 201.9829
147.1551 199.5225
147.6372 198.6656
148.1193 198.0460
148.6014 198.6840
149.0836 199.7245
149.5657 198.1729
150.0478 191.0299
150.5299 183.7189
151.0120 178.5687
151.4941 176.8478
151.9763 175.7881
152.4584 175.8237
152.9405 176.6561
153.4226 176.8512
153.9047 176.8342
154.3868 175.7903
154.8690 173.2737
155.3511 167.2223
155.8332 161.8312
156.3153 158.9729
156.7974 158.0992
157.2795 154.8004
157.7617 145.5273
158.2438 134.7614
158.7259 125.6844
159.2080 119.8998
159.6901 115.0746
160.1722 111.1125
160.6544 107.9330
161.1365 104.0919
161.6186 98.08008
162.1007 91.48486
162.5828 85.81274
163.0649 82.05212
163.5471 78.73193
164.0292 75.46460
164.5113 72.22583
164.9934 68.41516
165.4755 63.11523
165.9576 57.19470
166.4398 51.78455
166.9219 47.72131
167.4040 43.95288
167.8861 39.49170
168.3682 34.19580
168.8503 29.72253
169.3325 28.47168
169.8146 28.61121
170.2967 27.18286
170.7788 20.37256
171.2609 12.83826
171.7430 9.626709
172.2252 11.50293
172.7073 13.45715
173.1894 10.88403
173.6715 5.321411
174.1536 0.2794190
174.6357 2.193970
175.1179 3.459839
175.6000 5.209351
176.0821 7.632446
176.5642 10.05005
177.0463 11.85327
177.5284 13.12830
178.0106 14.12073
178.4927 14.97888
178.9748 15.66040
179.4569 16.03528
179.9390 16.02612
180.4211 15.80579
180.9033 15.53320
181.3854 15.18799
181.8675 14.74304
182.3496 13.93005
182.8317 13.01257
183.3138 12.70630
183.7960 13.34009
184.2781 13.93494
184.7602 13.04675
185.2423 10.76941
185.7244 8.044189
186.2065 5.680420
186.6887 3.376343
187.1708 0.2763670
187.6529 5.725708
188.1350 11.89124
188.6171 16.74304
189.0992 20.35852
189.5814 23.73035
190.0635 27.40869
190.5456 31.43579
191.0277 35.65942
191.5098 40.21191
191.9919 44.79712
192.4741 48.34119
192.9562 50.75806
193.4383 53.62708
193.9204 58.60791
194.4025 65.50562
194.8846 70.68640
195.3668 73.10352
195.8489 74.25732
196.3310 78.23450
196.8131 85.42664
197.2952 92.40112
197.7773 96.30847
198.2595 97.00244
198.7416 99.34741
199.2237 104.4685
199.7058 111.1039
200.1879 115.6007
200.6700 117.7363
201.1522 119.0428
201.6343 120.2100
202.1164 121.1296
202.5985 123.2639
203.0806 127.1881
203.5627 132.1938
204.0449 136.1274
204.5270 139.0406
205.0091 140.6858
205.4912 140.5327
205.9733 138.2303
206.4554 136.2489
206.9376 135.0703
207.4197 134.3546
207.9018 132.8137
208.3839 130.3809
208.8660 127.3010
209.3481 123.5859
209.8303 119.0129
210.3124 114.8530
210.7945 111.3760
211.2766 108.4250
211.7587 105.1971
212.2408 101.5686
212.7230 97.93188
213.2051 94.62622
213.6872 91.89697
214.1693 88.47961
214.6514 83.76453
215.1335 78.22717
215.6157 74.54626
216.0978 73.52222
216.5799 72.76233
217.0620 70.54456
217.5441 66.14197
218.0262 62.32080
218.5084 59.36487
218.9905 57.16699
219.4726 55.46008
219.9547 54.81409
220.4368 53.70691
220.9189 50.90271
221.4011 45.30371
221.8832 41.00793
222.3653 38.83252
222.8474 38.24329
223.3295 36.64502
223.8116 33.49023
224.2938 30.23438
224.7759 27.77014
225.2580 26.38977
225.7401 25.12170
226.2222 24.02100
226.7043 22.96655
227.1865 21.44629
227.6686 19.37036
228.1507 16.95972
228.6328 14.32349
229.1149 11.38855
229.5970 8.382935
230.0792 5.205566
230.5613 1.977661
231.0434 0.8608400
231.5255 3.686890
232.0076 5.720825
232.4897 6.151123
232.9719 3.704712
233.4540 2.357910
233.9361 2.764038
234.4182 4.344971
234.9003 5.166504
235.3824 5.476196
235.8646 4.597046
236.3467 2.077148
236.8288 2.753052
237.3109 7.692261
237.7930 12.18066
238.2751 16.85205
238.7573 23.55212
239.2394 33.25574
239.7215 43.55969
240.2036 53.40186
240.6857 62.07507
241.1678 71.74658
241.6500 82.05908
242.1321 93.33154
242.6142 106.8297
243.0963 123.1816
243.5784 140.9539
244.0605 159.2555
244.5427 177.7096
245.0248 197.9415
245.5069 219.9099
245.9890 243.5942
246.4711 268.7770
246.9532 295.7555
247.4354 324.1667
247.9175 353.5096
248.3996 383.6707
248.8817 415.7257
249.3638 449.8092
249.8459 485.7543
250.3281 523.3381
250.8102 563.1462
251.2923 603.7621
251.7744 644.9292
252.2565 685.7610
252.7386 729.3016
253.2208 775.9563
253.7029 825.0056
254.1850 876.1293
254.6671 929.1744
255.1492 984.8328
255.6313 1043.170
256.1135 1104.106
256.5956 1166.412
257.0777 1228.776
257.5598 1292.898
258.0419 1361.395
258.5240 1435.128
259.0062 1509.480
259.4883 1583.300
259.9704 1655.050
260.4525 1730.272
260.9346 1809.576
261.4167 1890.455
261.8989 1970.521
262.3810 2049.906
262.8631 2126.457
263.3452 2199.136
263.8273 2268.884
264.3094 2334.061
264.7916 2395.822
265.2737 2453.057
265.7558 2505.968
266.2379 2554.854
266.7200 2597.646
267.2021 2635.503
267.6843 2667.600
268.1664 2686.902
268.6485 2691.200
269.1306 2687.207
269.6127 2680.593
270.0948 2672.191
270.5770 2657.263
271.0591 2634.666
271.5412 2605.045
272.0233 2570.505
272.5054 2531.354
272.9875 2487.689
273.4697 2439.635
273.9518 2386.568
274.4339 2329.941
274.9160 2269.250
275.3981 2205.777
275.8802 2141.469
276.3624 2077.054
276.8445 2012.862
277.3266 1949.757
277.8087 1887.940
278.2908 1824.434
278.7729 1758.996
279.2551 1691.854
279.7372 1624.790
280.2193 1557.454
280.7014 1490.996
281.1835 1425.304
281.6656 1360.383
282.1478 1296.457
282.6299 1233.250
283.1120 1171.603
283.5941 1112.834
284.0762 1056.718
284.5583 1003.445
285.0405 952.4583
285.5226 903.8455
286.0047 858.5779
286.4868 816.8083
286.9689 777.8767
287.4510 740.6238
287.9332 705.1150
288.4153 672.5665
288.8974 644.7284
289.3795 620.5698
289.8616 597.3561
290.3438 575.0570
290.8259 554.1429
291.3080 534.6793
291.7901 517.0549
292.2722 501.9857
292.7543 490.8353
293.2365 481.9946
293.7186 471.2610
294.2007 458.7079
294.6828 446.8462
295.1649 438.6583
295.6470 433.1908
296.1292 426.8501
296.6113 418.0286
297.0934 408.7507
297.5755 402.6206
298.0576 399.3600
298.5397 396.3104
299.0219 391.0189
299.5040 384.4906
299.9861 378.9142
300.4682 374.7207
300.9503 371.6365
301.4324 370.0626
301.9146 369.5927
302.3967 368.3765
302.8788 365.1829
303.3609 360.5792
303.8430 355.4725
304.3251 350.0499
304.8073 343.8894
305.2894 337.0735
305.7715 329.2488
306.2536 319.3885
306.7357 305.1058
307.2178 289.7285
307.7000 277.0524
308.1821 267.5707
308.6642 258.3357
309.1463 246.9883
309.6284 234.5045
310.1105 222.2037
310.5927 209.9077
311.0748 198.7753
311.5569 189.6456
312.0390 182.4238
312.5211 175.9979
313.0032 170.0272
313.4854 164.3103
313.9675 158.8270
314.4496 153.7633
314.9317 148.4224
315.4138 141.9172
315.8959 134.6904
316.3781 128.4741
316.8602 124.7383
317.3423 121.7645
317.8244 118.2845
318.3065 113.8041
318.7886 109.3315
319.2708 105.2791
319.7529 101.6443
320.2350 98.26355
320.7171 94.94678
321.1992 92.02576
321.6813 89.64429
322.1635 87.76746
322.6456 86.50500
323.1277 85.98218
323.6098 86.04834
324.0919 86.46106
324.5740 88.17896
325.0562 89.31396
325.5383 89.11792
326.0204 87.19897
326.5025 85.43591
326.9846 83.67249
327.4667 82.25916
327.9489 81.53723
328.4310 82.31909
328.9131 82.91528
329.3952 82.90613
329.8773 82.27539
330.3594 82.25073
330.8416 83.65149
331.3237 84.98645
331.8058 85.07556
332.2879 82.46948
332.7700 81.08044
333.2521 81.46643
333.7343 83.33008
334.2164 85.29150
334.6985 87.32849
335.1806 89.45325
335.6627 91.75562
336.1448 94.44214
336.6270 96.57031
337.1091 97.99170
337.5912 98.92041
338.0733 100.0033
338.5554 101.6165
339.0375 102.1833
339.5197 101.0055
340.0018 98.06030
340.4839 94.07007
340.9660 88.89368
341.4481 83.18091
341.9302 77.99377
342.4124 73.33936
342.8945 68.33850
343.3766 62.58191
343.8587 56.25781
344.3408 49.85498
344.8229 43.37854
345.3051 37.02417
345.7872 30.76990
346.2693 24.72876
346.7514 19.51465
347.2335 15.52490
347.7156 12.17932
348.1978 7.935059
348.6799 2.966431
349.1620 0.6293950
349.6441 0.7543950
350.1262 1.506226
350.6083 3.579468
351.0905 5.121216
351.5726 6.648193
352.0547 8.265869
352.5368 10.26807
353.0189 13.54590
353.5010 19.15466
353.9832 25.99316
354.4653 33.02856
354.9474 40.28870
355.4295 47.00952
355.9116 52.59485
356.3937 57.28271
356.8759 61.38318
357.3580 65.99402
357.8401 69.28406
358.3222 69.96545
358.8043 68.17615
359.2864 64.71973
359.7686 58.66895
360.2507 51.82678
360.7328 45.87158
361.2149 41.67883
361.6970 37.45142
362.1791 32.61316
362.6613 27.18201
363.1434 21.24512
363.6255 13.78955
364.1076 6.669067
364.5897 0.7716060
365.0718 3.385742
365.5540 7.265381
366.0361 11.14978
366.5182 14.90393
367.0003 18.34644
367.4824 21.27612
367.9645 24.11145
368.4467 27.38770
368.9288 31.05847
369.4109 32.73181
369.8930 31.36255
370.3751 28.89697
370.8572 26.65869
371.3394 25.65808
371.8215 23.11230
372.3036 17.81812
372.7857 10.80615
373.2678 6.052124
373.7499 4.919800
374.2321 3.668457
374.7142 0.5327150
375.1963 4.878418
375.6784 10.74194
376.1605 17.23303
376.6426 23.89978
377.1248 29.98962
377.6069 35.63477
378.0890 40.13501
378.5711 42.51379
379.0532 43.33618
379.5353 47.02917
380.0175 54.12451
380.4996 61.61865
380.9817 66.80823
381.4638 69.83447
381.9459 71.89917
382.4280 73.00232
382.9102 73.55127
383.3923 74.17175
383.8744 74.86755
384.3565 75.70618
384.8386 76.95715
385.3207 78.33484
385.8029 79.14612
386.2850 79.25598
386.7671 79.17419
387.2492 79.58032
387.7313 80.20483
388.2134 80.42505
388.6956 79.88464
389.1777 78.88098
389.6598 77.45410
390.1419 75.66370
390.6240 74.15198
391.1061 73.76599
391.5883 73.67834
392.0704 73.01379
392.5525 71.32568
393.0346 69.33643
393.5167 66.83984
393.9988 64.22180
394.4810 62.51172
394.9631 63.50916
395.4452 64.38477
395.9273 63.68481
396.4094 60.93457
396.8915 57.57751
397.3737 52.53418
397.8558 47.44666
398.3379 44.33594
398.8200 45.24829
399.3021 46.16150
399.7842 45.88574
400.2664 44.41577
400.7485 44.62793
401.2306 47.59595
401.7127 51.15930
402.1948 53.96350
402.6769 55.72876
403.1591 57.22302
403.6412 58.03259
404.1233 58.79138
404.6054 61.78125
405.0875 68.39441
405.5696 73.04175
406.0518 72.82117
406.5339 67.51025
407.0160 62.84985
407.4981 59.19983
407.9802 56.08521
408.4623 52.70032
408.9445 49.03027
409.4266 45.75806
409.9087 43.25256
410.3908 41.13379
410.8729 38.31909
411.3550 34.81848
411.8372 31.65466
412.3193 29.77661
412.8014 28.73938
413.2835 27.51416
413.7656 25.95667
414.2477 24.17725
414.7299 22.05383
415.2120 19.76648
415.6941 17.81323
416.1762 16.63196
416.6583 15.69482
417.1404 14.46204
417.6226 12.91431
418.1047 11.48865
418.5868 10.18335
419.0689 9.205933
419.5510 8.798462
420.0331 9.656128
420.5153 10.23303
420.9974 9.696655
421.4795 8.328003
421.9616 6.935669
422.4437 5.491943
422.9258 4.155640
423.4080 3.026489
423.8901 2.180908
424.3722 1.399048
424.8543 1.181763
425.3364 0.8740230
425.8185 0.2479250
426.3007 3.094116
426.7828 5.470825
427.2649 6.813599
427.7470 7.083618
428.2291 7.007202
428.7112 6.338501
429.1934 5.928467
429.6755 6.215698
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