#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:54:29 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1008 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000465.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_1000465
loop_
_publ_author_name
'Welch, M. D.'
_publ_section_title
;
 Pb-Si ordering in sheet-oxychloride minerals: the super-structure of
 asisite, nominally Pb7SiO8Cl2 Locality: Kombat mine, Namibia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              247
_journal_page_last               254
_journal_paper_doi               10.1180/0026461046820185
_journal_volume                  68
_journal_year                    2004
_chemical_compound_source        R070635
_chemical_formula_sum            'Cl O4 Pb3.5 Si0.5'
_chemical_name_mineral           Asisite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.8932
_cell_length_b                   3.8932
_cell_length_c                   22.803
_cell_volume                     345.625
_exptl_crystal_density_diffrn    8.059
_cod_original_formula_sum        'Pb3.5 Si.5 O4 Cl'
_cod_database_code               9011827
_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            R070635.rod
_rod_data_source.block           3500000
_rod_database.code               1000465
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 9011827 COD http://www.crystallography.net/cod/9011827.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
121.5737 0.0000000E+00
122.0558 17.63770
122.5379 7.235352
123.0200 127.5098
123.5021 278.5127
123.9842 397.4912
124.4664 521.4463
124.9485 702.7705
125.4306 950.4990
125.9127 1227.038
126.3948 1492.137
126.8769 1750.303
127.3591 2032.609
127.8412 2359.504
128.3233 2722.720
128.8054 3104.137
129.2875 3511.364
129.7696 3902.553
130.2518 4165.084
130.7339 4309.598
131.2160 4495.078
131.6981 4891.660
132.1802 5462.691
132.6623 5941.152
133.1445 6190.645
133.6266 6249.529
134.1087 6367.938
134.5908 6559.289
135.0729 6774.021
135.5550 6939.313
136.0372 7052.838
136.5193 7126.074
137.0014 7164.908
137.4835 7169.594
137.9656 7138.404
138.4477 7074.133
138.9299 6974.058
139.4120 6818.800
139.8941 6596.245
140.3762 6345.703
140.8583 6092.707
141.3404 5847.441
141.8226 5580.869
142.3047 5279.442
142.7868 4944.906
143.2689 4624.309
143.7510 4318.531
144.2331 4029.062
144.7152 3758.359
145.1974 3496.457
145.6795 3262.907
146.1616 3064.126
146.6437 2920.490
147.1258 2764.087
147.6079 2590.590
148.0901 2403.067
148.5722 2219.795
149.0543 2022.134
149.5364 1841.984
150.0185 1694.980
150.5006 1604.954
150.9828 1519.095
151.4649 1438.230
151.9470 1361.844
152.4291 1284.675
152.9112 1195.257
153.3933 1111.172
153.8755 1043.318
154.3576 1016.327
154.8397 985.5137
155.3218 937.5625
155.8039 867.7139
156.2860 802.8730
156.7682 751.4336
157.2503 712.6055
157.7324 687.1367
158.2145 607.3994
158.6966 625.9688
159.1787 644.2920
159.6609 645.8662
160.1430 577.6221
160.6251 621.6680
161.1072 625.1055
161.5893 619.2490
162.0714 659.8750
162.5536 602.4102
163.0357 637.2773
163.5178 634.2383
163.9999 648.2344
164.4820 625.0205
164.9641 641.7178
165.4463 668.2734
165.9284 682.3418
166.4105 677.5088
166.8926 670.3301
167.3747 668.6484
167.8568 663.6045
168.3390 641.9863
168.8211 605.7793
169.3032 580.0918
169.7853 584.1309
170.2674 598.3545
170.7495 611.0186
171.2317 602.9512
171.7138 589.9219
172.1959 598.2012
172.6780 636.3223
173.1601 671.1699
173.6422 675.0107
174.1244 652.2178
174.6065 617.5908
175.0886 563.4336
175.5707 508.4805
176.0528 482.8760
176.5349 511.8857
177.0171 550.4688
177.4992 538.4512
177.9813 482.9170
178.4634 422.0557
178.9455 386.6357
179.4276 368.7588
179.9098 351.3271
180.3919 328.9053
180.8740 303.5693
181.3561 273.6572
181.8382 238.7236
182.3203 213.0254
182.8025 226.1611
183.2846 266.5205
183.7667 286.1396
184.2488 246.4492
184.7309 170.0645
185.2130 128.7969
185.6951 129.0020
186.1773 140.9365
186.6594 119.9131
187.1415 69.36426
187.6236 23.75195
188.1057 3.583984
188.5878 4.743164
189.0700 5.755859
189.5521 5.721680
190.0342 3.445313
190.5163 4.858398
190.9984 19.28125
191.4805 34.91211
191.9627 47.61133
192.4448 57.95996
192.9269 71.55273
193.4090 95.89941
193.8911 120.9316
194.3732 105.5176
194.8554 41.75293
195.3375 17.84570
195.8196 12.91699
196.3017 57.92188
196.7838 109.1689
197.2659 107.5566
197.7481 64.54688
198.2302 64.70898
198.7123 118.6816
199.1944 184.4531
199.6765 209.6777
200.1586 190.3975
200.6408 164.3203
201.1229 142.6494
201.6050 125.3799
202.0871 110.7197
202.5692 99.01758
203.0513 89.74512
203.5335 82.09863
204.0156 76.28223
204.4977 72.20215
204.9798 70.58691
205.4619 71.80078
205.9440 71.52832
206.4262 67.18311
206.9083 63.39453
207.3904 74.49170
207.8725 106.3340
208.3546 137.4985
208.8367 157.6909
209.3189 168.4204
209.8010 160.3770
210.2831 125.0596
210.7652 71.39160
211.2473 40.43701
211.7294 38.45947
212.2116 46.36670
212.6937 50.64844
213.1758 51.43359
213.6579 47.58545
214.1400 36.89551
214.6221 19.98096
215.1043 8.167480
215.5864 2.561035
216.0685 3.0762000E-02
216.5506 0.1904300
217.0327 8.321289
217.5148 2.365723
217.9970 30.35693
218.4791 92.61816
218.9612 127.0591
219.4433 120.8760
219.9254 99.31201
220.4075 96.24854
220.8897 120.8599
221.3718 144.5200
221.8539 157.1069
222.3360 154.6826
222.8181 159.6406
223.3002 176.1904
223.7824 197.3521
224.2645 210.1011
224.7466 210.0273
225.2287 209.2710
225.7108 211.4731
226.1929 214.7144
226.6750 227.6392
227.1572 255.8032
227.6393 292.1909
228.1214 317.9150
228.6035 326.1831
229.0856 333.8696
229.5677 352.6650
230.0499 399.8286
230.5320 415.9570
231.0141 380.4023
231.4962 311.0293
231.9783 284.2842
232.4604 327.5415
232.9426 378.4302
233.4247 396.4321
233.9068 353.7476
234.3889 336.3125
234.8710 362.6069
235.3531 426.2471
235.8353 466.1743
236.3174 470.9692
236.7995 465.2988
237.2816 468.3008
237.7637 488.2222
238.2458 500.8057
238.7280 499.4497
239.2101 484.4985
239.6922 478.3911
240.1743 485.2671
240.6564 496.7998
241.1385 505.8276
241.6207 513.3647
242.1028 515.8687
242.5849 508.4165
243.0670 488.8311
243.5491 487.8862
244.0313 517.4497
244.5134 555.6616
244.9955 575.6401
245.4776 564.1382
245.9597 557.6758
246.4418 566.7231
246.9240 594.6499
247.4061 620.1187
247.8882 648.5884
248.3703 670.4902
248.8524 667.2627
249.3345 614.7544
249.8167 578.2241
250.2988 583.1011
250.7809 645.9189
251.2630 680.9443
251.7451 674.0420
252.2272 649.7202
252.7094 652.6328
253.1915 698.3647
253.6736 738.9888
254.1557 750.6040
254.6378 721.0435
255.1199 709.8306
255.6021 730.1567
256.0842 763.6436
256.5663 771.6245
257.0484 744.8276
257.5305 709.2158
258.0126 674.9902
258.4948 636.4502
258.9769 618.3809
259.4590 629.9038
259.9411 658.4683
260.4232 669.9653
260.9053 658.8325
261.3875 640.5635
261.8696 621.1851
262.3517 598.3496
262.8338 582.0254
263.3159 573.2705
263.7980 571.1113
264.2802 571.6577
264.7623 573.4478
265.2444 579.7358
265.7265 595.8818
266.2086 628.6948
266.6907 644.2100
267.1729 637.0220
267.6550 612.2104
268.1371 582.2993
268.6192 540.4116
269.1013 511.0010
269.5834 517.7627
270.0656 571.8569
270.5477 605.4155
271.0298 607.9980
271.5119 584.6782
271.9940 550.5410
272.4761 498.2871
272.9583 455.6968
273.4404 449.4941
273.9225 488.1094
274.4046 516.0566
274.8867 524.3438
275.3688 516.4580
275.8510 503.2251
276.3331 483.3071
276.8152 463.7832
277.2973 448.4062
277.7794 436.0083
278.2615 435.3882
278.7437 453.3423
279.2258 484.5093
279.7079 505.3359
280.1900 514.8906
280.6721 516.3569
281.1542 509.7432
281.6364 494.6899
282.1185 482.9043
282.6006 476.1699
283.0827 474.6021
283.5648 479.1323
284.0469 490.1943
284.5291 505.7070
285.0112 524.8853
285.4933 547.6445
285.9754 570.2397
286.4575 589.4380
286.9396 607.7397
287.4217 638.3135
287.9038 683.5991
288.3860 723.7554
288.8681 733.5547
289.3502 715.8545
289.8323 702.2163
290.3144 701.6851
290.7965 712.1953
291.2787 730.5840
291.7608 757.0669
292.2429 783.8726
292.7250 810.2598
293.2071 833.7471
293.6892 838.9727
294.1714 807.9360
294.6535 761.2134
295.1356 746.2935
295.6177 764.4736
296.0998 792.4434
296.5819 806.7002
297.0641 812.6147
297.5462 827.9980
298.0283 866.1821
298.5104 913.5957
298.9925 949.6655
299.4746 974.4814
299.9568 989.5000
300.4389 990.7788
300.9210 983.0122
301.4031 977.5015
301.8852 977.3848
302.3673 981.9951
302.8495 986.9404
303.3316 992.1157
303.8137 1009.556
304.2958 1060.215
304.7779 1129.004
305.2600 1187.986
305.7422 1226.609
306.2243 1250.854
306.7064 1259.170
307.1885 1252.544
307.6706 1252.482
308.1527 1288.349
308.6349 1337.752
309.1170 1368.455
309.5991 1351.690
310.0812 1324.604
310.5633 1310.645
311.0454 1309.963
311.5276 1322.352
312.0097 1362.615
312.4918 1410.884
312.9739 1445.461
313.4560 1444.871
313.9381 1439.676
314.4203 1443.435
314.9024 1456.354
315.3845 1478.855
315.8666 1518.509
316.3487 1564.599
316.8308 1606.981
317.3130 1644.923
317.7951 1676.465
318.2772 1689.723
318.7593 1688.016
319.2414 1707.688
319.7235 1790.186
320.2057 1883.923
320.6878 1948.057
321.1699 1961.598
321.6520 1956.733
322.1341 1921.276
322.6162 1861.694
323.0984 1842.395
323.5805 1904.999
324.0626 1995.016
324.5447 2075.698
325.0268 2145.332
325.5089 2202.378
325.9911 2238.619
326.4732 2256.501
326.9553 2285.826
327.4374 2335.799
327.9195 2392.239
328.4016 2447.370
328.8838 2501.292
329.3659 2552.926
329.8480 2599.690
330.3301 2642.661
330.8122 2690.650
331.2943 2745.020
331.7765 2804.225
332.2586 2866.875
332.7407 2949.702
333.2228 3007.357
333.7049 3026.901
334.1870 3018.479
334.6692 3033.708
335.1513 3086.481
335.6334 3140.532
336.1155 3178.240
336.5976 3193.498
337.0797 3202.991
337.5619 3204.180
338.0440 3201.648
338.5261 3208.157
339.0082 3224.622
339.4903 3245.342
339.9724 3274.644
340.4546 3317.450
340.9367 3325.220
341.4188 3290.612
341.9009 3225.710
342.3830 3150.191
342.8651 3063.196
343.3473 2979.708
343.8294 2911.592
344.3115 2856.653
344.7936 2797.308
345.2757 2731.733
345.7578 2663.533
346.2400 2596.785
346.7221 2532.058
347.2042 2465.298
347.6863 2394.495
348.1684 2319.952
348.6505 2241.428
349.1327 2157.951
349.6148 2071.724
350.0969 1978.987
350.5790 1883.609
351.0611 1799.699
351.5432 1745.463
352.0254 1703.906
352.5075 1647.391
352.9896 1574.088
353.4717 1491.625
353.9538 1400.666
354.4359 1305.599
354.9181 1218.295
355.4002 1146.641
355.8823 1085.827
356.3644 1035.563
356.8465 996.0112
357.3286 954.1831
357.8108 899.9771
358.2929 840.5586
358.7750 784.2188
359.2571 733.5728
359.7392 687.8555
360.2213 648.3149
360.7035 614.6572
361.1856 581.9351
361.6677 541.8350
362.1498 504.1245
362.6319 476.7734
363.1140 476.1919
363.5962 472.3823
364.0783 455.2061
364.5604 426.2842
365.0425 398.6060
365.5246 373.8335
366.0067 350.4893
366.4889 327.4976
366.9710 306.1494
367.4531 282.3979
367.9352 245.8296
368.4173 203.8911
368.8994 188.7476
369.3815 235.1123
369.8636 278.8911
370.3458 291.3867
370.8279 249.9292
371.3100 215.5630
371.7921 185.7104
372.2742 163.1855
372.7563 157.0352
373.2385 178.2500
373.7206 197.7441
374.2027 204.6763
374.6848 198.4937
375.1669 179.3394
375.6490 138.2324
376.1312 93.47168
376.6133 79.52393
377.0954 105.3252
377.5775 125.6128
378.0596 117.6050
378.5417 82.91650
379.0239 72.82861
379.5060 94.33887
379.9881 120.0840
380.4702 107.1753
380.9523 57.34814
381.4344 25.01416
381.9166 37.22070
382.3987 78.27686
382.8808 102.1196
383.3629 108.0840
383.8450 103.2158
384.3271 89.73486
384.8093 69.92676
385.2914 51.25684
385.7735 34.96875
386.2556 21.90820
386.7377 15.70361
387.2198 15.55908
387.7020 15.04395
388.1841 3.314453
388.6662 9.361816
389.1483 53.09863
389.6304 9.866211
390.1125 14.47656
390.5947 20.94531
391.0768 44.07471
391.5589 16.72119
392.0410 26.35156
392.5231 37.47705
393.0052 2.946777
393.4874 51.55273
393.9695 11.90381
394.4516 9.803711
394.9337 9.520020
395.4158 8.370605
395.8979 14.73242
396.3801 15.67090
396.8622 30.07373
397.3443 35.46973
397.8264 37.78955
398.3085 38.47656
398.7906 36.07861
399.2728 28.80518
399.7549 12.72998
400.2370 3.920410
400.7191 22.47998
401.2012 43.85449
401.6833 51.31934
402.1655 35.84521
402.6476 14.95361
403.1297 4.417480
403.6118 9.952637
404.0939 10.98340
404.5760 1.401367
405.0582 15.44189
405.5403 19.04541
406.0224 4.982422
406.5045 9.483887
406.9866 9.335449
407.4688 6.648438
407.9509 12.68799
408.4330 4.193848
408.9151 13.12354
409.3972 30.49365
409.8793 47.85254
410.3615 58.46436
410.8436 58.69678
411.3257 49.21582
411.8078 29.25195
412.2899 3.679199
412.7720 36.47998
413.2542 61.30176
413.7363 74.54492
414.2184 65.22998
414.7005 0.2636720
415.1826 75.71680
415.6647 106.2788
416.1469 89.15039
416.6290 61.28955
417.1111 43.63916
417.5932 32.79150
418.0753 24.56787
418.5574 21.25293
419.0396 16.97803
419.5217 6.909668
420.0038 7.714355
420.4859 19.18652
420.9680 30.02100
421.4501 33.32812
421.9323 23.62402
422.4144 17.25293
422.8965 47.31836
423.3786 57.10693
423.8607 50.41357
424.3428 38.86572
424.8250 16.94775
425.3071 4.538574
425.7892 21.32178
426.2713 30.64307
426.7534 43.90674
427.2355 65.36377
427.7177 88.03516
428.1998 101.5615
428.6819 104.3882
429.1640 99.93213
429.6461 81.97607
430.1282 51.45361
430.6104 53.73145
431.0925 98.22314
431.5746 150.4487
432.0567 171.9971
432.5388 161.7104
433.0209 159.3130
433.5031 175.9536
433.9852 203.3545
434.4673 219.8931
434.9494 225.9302
435.4315 233.5518
435.9136 255.4600
436.3958 285.7949
436.8779 310.5464
437.3600 328.9272
437.8421 338.0654
438.3242 323.4561
438.8063 295.2183
439.2885 281.5903
439.7706 304.8491
440.2527 344.7671
440.7348 387.3916
441.2169 432.8154
441.6990 468.5723
442.1812 476.7891
442.6633 475.1060
443.1454 484.5820
443.6275 528.8774
444.1096 568.5767
444.5917 582.1040
445.0739 572.0425
445.5560 577.7822
446.0381 628.4712
446.5202 682.7021
447.0023 715.0957
447.4844 695.0273
447.9666 695.0674
448.4487 730.1914
448.9308 783.8223
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