#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:00:41 +0300 (Thu, 26 Apr 2018) $
#$Revision: 596 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000135.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_1000135
loop_
_publ_author_name
'Ertl, A.'
'Dyar, M. D.'
'Hughes, J. M.'
'Brandstatter, F.'
'Gunter, M. E.'
'Prem, M.'
'Peterson, R. C.'
_publ_section_title
;
 Pertlikite, a new tetragonal Mg-rich member of the voltaite group from
 Madeni Zakh, Iran Locality: Madeni Zakh, Iran
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              661
_journal_page_last               669
_journal_paper_doi               10.3749/canmin.46.3.661
_journal_volume                  46
_journal_year                    2008
_chemical_compound_source        R110209
_chemical_formula_sum            'Al Fe4.47 H84 K2 Mg3.53 O66.252 S12'
_chemical_name_mineral           Pertlikite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.2080
_cell_length_b                   19.2080
_cell_length_c                   27.2158
_cell_volume                     10041.195
_exptl_crystal_density_diffrn    2.606
_cod_original_cell_volume        10041.194
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'S12 Fe4.47 Mg3.53 Al K2 O66.252 H84'
_cod_database_code               9010669
_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            R110209.rod
_rod_data_source.block           3500000
_rod_database.code               1000135
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 9010669 COD http://www.crystallography.net/cod/9010669.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
92.56775 0.0000000E+00
93.04987 13.22955
93.53198 34.52966
94.01410 48.65070
94.49622 54.64691
94.97833 55.22040
95.46045 52.56622
95.94257 46.45111
96.42468 41.56604
96.90680 39.66632
97.38892 38.06427
97.87103 36.18561
98.35315 32.97571
98.83527 28.01270
99.31738 23.42975
99.79950 19.52502
100.2816 15.98578
100.7637 13.24554
101.2458 10.34735
101.7280 7.046021
102.2101 3.607544
102.6922 0.6843260
103.1743 0.6668090
103.6564 0.7162480
104.1385 0.2834470
104.6207 0.5273440
105.1028 1.597046
105.5849 2.601868
106.0670 3.494446
106.5491 3.879517
107.0313 3.305664
107.5134 1.593750
107.9955 0.3132320
108.4776 1.466492
108.9597 1.773010
109.4418 1.276794
109.9240 0.4938960
110.4061 0.1023560
110.8882 1.257935
111.3703 3.065308
111.8524 5.208191
112.3345 6.890015
112.8167 7.707092
113.2988 8.541321
113.7809 9.481995
114.2630 10.24847
114.7451 10.78113
115.2272 10.83167
115.7094 10.42352
116.1915 10.05676
116.6736 10.03503
117.1557 9.741699
117.6378 8.597290
118.1199 6.863770
118.6021 5.467407
119.0842 5.291565
119.5663 6.447571
120.0484 7.066406
120.5305 6.783508
121.0126 6.187988
121.4948 5.798035
121.9769 5.690552
122.4590 5.602295
122.9411 5.231445
123.4232 4.646423
123.9053 4.031189
124.3875 3.567505
124.8696 3.126526
125.3517 2.264160
125.8338 0.4932860
126.3159 1.076904
126.7980 1.609070
127.2802 1.251648
127.7623 0.7069090
128.2444 0.5328980
128.7265 0.7690430
129.2086 0.9424440
129.6907 0.9209590
130.1729 0.8974610
130.6550 0.9379270
131.1371 1.057129
131.6192 1.248657
132.1013 1.550842
132.5834 2.204102
133.0656 2.463745
133.5477 2.259338
134.0298 1.770691
134.5119 1.087524
134.9940 0.2504270
135.4761 0.6998900
135.9583 1.665771
136.4404 2.471802
136.9225 3.525940
137.4046 5.387268
137.8867 7.413025
138.3688 8.488037
138.8510 7.943054
139.3331 6.465698
139.8152 6.318359
140.2973 7.976013
140.7794 9.907898
141.2615 11.85553
141.7437 13.68182
142.2258 14.68378
142.7079 13.85913
143.1900 12.28668
143.6721 12.27747
144.1542 14.78320
144.6364 17.83118
145.1185 19.37372
145.6006 19.17120
146.0827 18.91626
146.5648 19.49707
147.0469 20.48889
147.5291 21.56921
148.0112 22.76562
148.4933 23.84283
148.9754 24.15540
149.4575 23.08264
149.9396 22.31720
150.4218 22.39722
150.9039 23.08014
151.3860 23.98914
151.8681 24.95587
152.3502 25.94824
152.8323 26.68323
153.3145 26.63391
153.7966 26.82574
154.2787 27.89911
154.7608 29.38171
155.2429 30.30090
155.7250 29.79022
156.2072 27.69019
156.6893 26.53674
157.1714 26.94830
157.6535 27.51550
158.1356 27.72925
158.6177 27.55060
159.0999 27.10541
159.5820 26.39227
160.0641 25.30536
160.5462 25.18170
161.0283 26.90930
161.5104 28.93695
161.9926 30.02112
162.4747 29.99829
162.9568 29.67963
163.4389 29.87878
163.9210 30.57507
164.4031 31.38873
164.8853 32.54974
165.3674 33.71362
165.8495 34.23193
166.3316 33.78992
166.8137 33.23297
167.2958 33.48560
167.7780 34.35840
168.2601 35.14795
168.7422 35.38086
169.2243 35.22119
169.7064 35.34595
170.1885 35.83838
170.6707 36.59753
171.1528 37.70801
171.6349 39.05237
172.1170 40.18762
172.5991 40.45111
173.0812 39.75995
173.5634 39.97949
174.0455 42.36615
174.5276 44.80792
175.0097 46.45941
175.4918 47.30341
175.9739 47.75403
176.4561 48.15314
176.9382 48.36139
177.4203 49.01971
177.9024 50.58228
178.3845 52.18317
178.8666 53.37781
179.3488 54.10132
179.8309 54.53772
180.3130 54.83875
180.7951 54.49921
181.2772 55.30829
181.7593 58.45276
182.2415 61.82916
182.7236 63.68677
183.2057 63.68317
183.6878 62.93036
184.1699 63.15564
184.6520 65.28027
185.1342 66.83691
185.6163 67.63660
186.0984 67.91187
186.5805 67.76239
187.0626 67.20117
187.5447 66.57092
188.0269 66.52802
188.5090 67.26013
188.9911 67.69977
189.4732 67.29218
189.9553 66.47412
190.4374 66.09448
190.9196 66.57721
191.4017 67.26135
191.8838 67.07819
192.3659 66.00275
192.8480 64.97632
193.3301 64.64014
193.8123 64.71436
194.2944 64.17322
194.7765 62.31335
195.2586 60.30182
195.7407 59.52466
196.2228 60.00671
196.7050 60.37738
197.1871 59.54163
197.6692 57.55328
198.1513 55.58350
198.6334 53.73962
199.1155 52.10699
199.5977 50.94519
200.0798 50.21442
200.5619 49.29810
201.0440 47.32922
201.5261 44.02911
202.0082 41.48163
202.4904 40.71948
202.9725 40.23944
203.4546 39.25208
203.9367 37.69055
204.4188 36.05157
204.9009 35.00208
205.3831 34.78662
205.8652 34.41992
206.3473 34.13348
206.8294 33.51385
207.3115 32.24133
207.7936 30.30499
208.2758 27.96472
208.7579 25.51605
209.2400 22.62860
209.7221 20.42657
210.2042 19.17255
210.6863 18.29102
211.1685 17.51611
211.6506 16.73865
212.1327 15.83722
212.6148 14.55652
213.0969 12.30133
213.5790 11.05627
214.0612 11.75763
214.5433 12.81464
215.0254 12.92029
215.5075 11.78760
215.9896 10.06897
216.4717 8.655457
216.9539 7.589600
217.4360 6.809387
217.9181 6.668640
218.4002 6.634888
218.8823 6.128723
219.3644 5.010193
219.8466 3.646057
220.3287 2.492065
220.8108 1.543091
221.2929 0.7890010
221.7750 0.2034300
222.2571 0.1747440
222.7393 0.2069090
223.2214 0.1836550
223.7035 0.6455080
224.1856 0.7499390
224.6677 0.5358890
225.1498 0.1629030
225.6320 0.4116820
226.1141 1.099487
226.5962 1.836487
227.0783 2.706604
227.5604 3.344299
228.0425 3.273560
228.5247 2.637146
229.0068 1.904175
229.4889 1.363464
229.9710 0.8433230
230.4531 0.1471560
230.9352 1.902832
231.4174 3.595337
231.8995 4.740417
232.3816 5.370850
232.8637 5.469055
233.3458 4.249268
233.8279 2.409790
234.3101 2.414001
234.7922 5.283020
235.2743 8.427979
235.7564 10.34357
236.2385 11.41901
236.7206 12.42065
237.2028 13.67279
237.6849 15.18237
238.1670 17.04639
238.6491 19.56580
239.1312 21.99597
239.6133 23.90863
240.0955 25.55811
240.5776 27.39783
241.0597 29.70490
241.5418 32.40674
242.0239 35.07922
242.5060 37.44653
242.9882 40.21924
243.4703 43.71521
243.9524 47.68433
244.4345 51.83234
244.9166 56.04364
245.3987 60.24188
245.8809 63.95349
246.3630 66.54138
246.8451 69.45770
247.3272 73.05011
247.8093 77.10718
248.2914 81.29852
248.7736 85.43622
249.2557 89.63599
249.7378 94.33899
250.2199 100.1271
250.7020 105.7496
251.1841 110.8696
251.6663 115.7734
252.1484 120.7591
252.6305 125.9980
253.1126 131.4042
253.5947 136.8376
254.0768 142.4777
254.5590 147.8582
255.0411 152.6953
255.5232 157.3689
256.0053 162.3517
256.4874 167.8264
256.9695 173.6227
257.4517 179.3304
257.9338 184.9370
258.4159 190.6146
258.8980 196.6767
259.3801 202.5964
259.8622 207.5781
260.3444 211.3580
260.8265 214.5626
261.3086 218.3917
261.7907 223.9832
262.2728 228.3545
262.7549 230.9145
263.2371 232.6055
263.7192 234.1341
264.2013 235.7023
264.6834 237.3129
265.1655 239.0214
265.6476 240.9955
266.1298 242.5267
266.6119 243.8629
267.0940 244.5337
267.5761 244.0486
268.0582 242.3333
268.5403 239.8448
269.0225 237.1326
269.5046 234.2653
269.9867 230.4918
270.4688 225.1084
270.9509 219.2926
271.4330 214.1226
271.9152 209.7164
272.3973 205.3491
272.8794 200.4086
273.3615 194.8042
273.8436 188.9332
274.3257 182.4845
274.8079 175.9484
275.2900 169.8164
275.7721 164.0671
276.2542 158.3682
276.7363 152.3215
277.2184 146.0856
277.7006 140.4150
278.1827 135.7501
278.6648 131.3446
279.1469 126.7985
279.6290 122.1108
280.1111 117.2504
280.5933 112.0813
281.0754 106.7810
281.5575 101.8459
282.0396 97.39490
282.5217 93.17395
283.0038 89.03870
283.4860 84.99249
283.9681 80.99823
284.4502 76.95111
284.9323 73.03082
285.4144 69.64893
285.8965 67.14850
286.3787 64.48035
286.8608 60.70374
287.3429 56.18896
287.8250 52.27411
288.3071 49.49341
288.7892 47.38556
289.2714 45.24176
289.7535 43.02612
290.2356 41.04333
290.7177 39.68805
291.1998 38.67987
291.6819 37.21619
292.1641 35.01514
292.6462 32.51007
293.1283 29.91394
293.6104 27.26874
294.0925 25.27130
294.5746 24.59094
295.0568 24.69391
295.5389 24.60248
296.0210 24.21014
296.5031 23.48401
296.9852 22.15930
297.4673 20.47845
297.9495 19.07898
298.4316 18.60486
298.9137 18.20203
299.3958 16.36182
299.8779 12.68732
300.3600 9.649841
300.8422 9.774902
301.3243 11.60406
301.8064 12.59619
302.2885 11.76141
302.7706 10.27295
303.2527 9.540955
303.7349 9.644287
304.2170 9.784302
304.6991 9.521179
305.1812 9.027527
305.6633 8.552612
306.1454 8.148376
306.6276 7.743530
307.1097 7.352722
307.5918 6.978455
308.0739 6.488342
308.5560 5.706360
309.0381 4.933838
309.5203 4.540100
310.0024 4.562988
310.4845 4.597534
310.9666 4.293457
311.4487 3.740784
311.9308 3.409424
312.4130 3.523254
312.8951 3.685852
313.3772 3.658081
313.8593 3.422729
314.3414 2.810547
314.8235 0.9785770
315.3057 1.268494
315.7878 1.513123
316.2699 1.270752
316.7520 4.070496
317.2341 4.315063
317.7162 2.907104
318.1984 1.706055
318.6805 1.674561
319.1626 2.099243
319.6447 1.734863
320.1268 0.4022830
320.6089 0.8005980
321.0911 0.9618530
321.5732 0.6908570
322.0553 0.8872070
322.5374 2.014893
323.0195 3.192932
323.5016 3.360229
323.9838 2.511780
324.4659 1.814697
324.9480 1.898193
325.4301 2.222351
325.9122 2.108948
326.3943 1.468994
326.8765 0.6932370
327.3586 2.8809000E-02
327.8407 0.6787720
328.3228 1.137573
328.8049 1.345459
329.2870 1.384644
329.7692 1.275452
330.2513 1.037964
330.7334 0.9285890
331.2155 0.9697880
331.6976 1.237305
332.1797 2.095764
332.6619 3.874390
333.1440 5.418457
333.6261 5.370483
334.1082 4.324890
334.5903 3.654785
335.0724 4.058044
335.5546 4.917603
336.0367 5.411987
336.5188 5.498535
337.0009 5.644958
337.4830 6.157776
337.9651 6.903381
338.4473 7.673828
338.9294 8.660767
339.4115 9.334351
339.8936 9.035828
340.3757 7.902832
340.8578 6.976990
341.3400 6.606567
341.8221 6.684082
342.3042 7.132019
342.7863 8.091370
343.2684 8.660034
343.7505 8.117310
344.2327 6.866882
344.7148 5.822327
345.1969 5.127808
345.6790 4.799805
346.1611 5.095886
346.6432 5.905518
347.1254 6.515869
347.6075 6.863403
348.0896 6.854126
348.5717 6.177795
349.0538 4.776917
349.5359 3.478455
350.0181 3.010864
350.5002 3.172424
350.9823 2.974243
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351.9465 1.036743
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360.6246 8.0077998E-02
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362.0710 2.212219
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363.0352 1.651001
363.5173 1.016724
363.9995 0.2571410
364.4816 0.2719730
364.9637 0.2564090
365.4458 0.1364750
365.9279 0.5001830
366.4100 0.6367190
366.8922 0.5740360
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368.8206 1.410034
369.3027 2.719055
369.7849 3.608887
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372.6776 7.033875
373.1597 6.108704
373.6418 5.756592
374.1239 6.166443
374.6060 6.939758
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376.5345 9.908081
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377.9808 12.16583
378.4630 12.57800
378.9451 11.90393
379.4272 10.89606
379.9093 11.36090
380.3914 14.83679
380.8735 17.07141
381.3557 17.30133
381.8378 16.96252
382.3199 16.89398
382.8020 17.25732
383.2841 17.94781
383.7662 18.97284
384.2484 20.46021
384.7305 21.64203
385.2126 21.94446
385.6947 22.46741
386.1768 23.79114
386.6589 25.56189
387.1411 27.05969
387.6232 27.83020
388.1053 28.04956
388.5874 28.34216
389.0695 28.69482
389.5516 29.16718
390.0338 29.92950
390.5159 30.71063
390.9980 31.24133
391.4801 31.45062
391.9622 31.52826
392.4443 31.67358
392.9265 31.88446
393.4086 32.21295
393.8907 32.86810
394.3728 33.45129
394.8549 33.66815
395.3370 33.59521
395.8192 33.55066
396.3013 33.83844
396.7834 34.30853
397.2655 34.41608
397.7476 34.01678
398.2297 33.63385
398.7119 33.80884
399.1940 34.08142
399.6761 33.75427
400.1582 32.42584
400.6403 30.95642
401.1224 30.34833
401.6046 30.53168
402.0867 30.47015
402.5688 29.74084
403.0509 28.75311
403.5330 28.02527
404.0151 27.56317
404.4973 27.04956
404.9794 26.39038
405.4615 25.57709
405.9436 24.51544
406.4257 23.16772
406.9078 21.87866
407.3900 21.05072
407.8721 20.56323
408.3542 19.74579
408.8363 17.91943
409.3184 16.32852
409.8005 16.22665
410.2827 17.13940
410.7648 17.25510
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