#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:39 +0300 (Thu, 26 Apr 2018) $
#$Revision: 580 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000122.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_1000122
loop_
_publ_author_name
'Mills, S. J.'
'Kampf, A. R.'
'Kolitsch, U.'
'Housley, R. M.'
'Raudsepp, M.'
_publ_section_title
;
 The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14,
 and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              933
_journal_page_last               938
_journal_paper_doi               10.2138/am.2010.3483
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Black Pine mine, NW of Philipsburg, Granite County, Montana, USA'
_chemical_formula_sum            'As0.404 O14 P1.594 Pb3 Te Zn3'
_chemical_name_mineral           Kuksite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.392
_cell_length_b                   8.392
_cell_length_c                   5.204
_cell_volume                     317.394
_exptl_crystal_density_diffrn    6.535
_cod_original_formula_sum        'Pb3 Te Zn3 P1.594 As.404 O14'
_cod_database_code               9016211
_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            R110039.rod
_rod_data_source.block           3500000
_rod_database.code               1000122
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 9016211 COD http://www.crystallography.net/cod/9016211.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
217.9181 0.0000000E+00
218.4002 0.3034670
218.8823 0.5340580
219.3644 0.5500490
219.8466 0.5350340
220.3287 0.8222050
220.8108 1.702637
221.2929 2.081116
221.7750 1.770935
222.2571 1.144989
222.7393 0.5479430
223.2214 4.7394000E-02
223.7035 0.2139280
224.1856 9.1599999E-04
224.6677 0.7208860
225.1498 1.323883
225.6320 1.494629
226.1141 1.382202
226.5962 1.395905
227.0783 1.682251
227.5604 1.911438
228.0425 1.456512
228.5247 0.5315250
229.0068 5.6945998E-02
229.4889 0.8683170
229.9710 2.331085
230.4531 3.042877
230.9352 2.609711
231.4174 1.869934
231.8995 1.353271
232.3816 1.053436
232.8637 0.9469910
233.3458 1.165039
233.8279 1.601135
234.3101 1.875000
234.7922 1.878754
235.2743 1.778809
235.7564 1.621307
236.2385 1.455414
236.7206 1.492401
237.2028 1.791412
237.6849 2.258179
238.1670 2.981201
238.6491 4.078949
239.1312 4.772552
239.6133 4.672089
240.0955 4.090576
240.5776 3.586884
241.0597 3.564667
241.5418 3.904205
242.0239 3.928772
242.5060 3.380157
242.9882 2.925629
243.4703 2.722198
243.9524 2.727478
244.4345 2.861938
244.9166 3.092255
245.3987 3.392578
245.8809 3.606445
246.3630 3.575806
246.8451 3.624084
247.3272 3.886169
247.8093 4.184326
248.2914 4.428436
248.7736 4.562469
249.2557 4.547302
249.7378 4.248779
250.2199 3.221985
250.7020 2.468781
251.1841 2.359711
251.6663 2.528320
252.1484 2.499512
252.6305 2.057953
253.1126 1.368103
253.5947 0.8916020
254.0768 0.9074100
254.5590 0.8614200
255.0411 0.5476070
255.5232 0.2915650
256.0053 0.6206670
256.4874 1.472931
256.9695 2.540985
257.4517 3.077881
257.9338 1.540283
258.4159 0.8269650
258.8980 1.502014
259.3801 2.646210
259.8622 3.460999
260.3444 3.489807
260.8265 3.072968
261.3086 2.844086
261.7907 2.924591
262.2728 3.003967
262.7549 3.152527
263.2371 3.273712
263.7192 3.225159
264.2013 2.966766
264.6834 2.680573
265.1655 2.642334
265.6476 3.031219
266.1298 3.244904
266.6119 3.199158
267.0940 3.014984
267.5761 2.774231
268.0582 2.498138
268.5403 2.228943
269.0225 1.995514
269.5046 1.787720
269.9867 1.748749
270.4688 1.890442
270.9509 2.201782
271.4330 2.836273
271.9152 3.774658
272.3973 4.525085
272.8794 4.529480
273.3615 3.715759
273.8436 3.212280
274.3257 3.314423
274.8079 3.530304
275.2900 3.337555
275.7721 2.904480
276.2542 2.749542
276.7363 3.534576
277.2184 5.118256
277.7006 6.107941
278.1827 6.071106
278.6648 5.774811
279.1469 5.723206
279.6290 5.901001
280.1111 6.098572
280.5933 6.215759
281.0754 6.246002
281.5575 6.201477
282.0396 6.054230
282.5217 5.894836
283.0038 5.830780
283.4860 5.826569
283.9681 5.666504
284.4502 5.175323
284.9323 4.534302
285.4144 4.142029
285.8965 4.107544
286.3787 4.044861
286.8608 3.645905
287.3429 3.029572
287.8250 2.604279
288.3071 2.533966
288.7892 2.674377
289.2714 2.893799
289.7535 3.243683
290.2356 3.312042
290.7177 2.702118
291.1998 1.659241
291.6819 0.8246460
292.1641 0.3673100
292.6462 8.9873999E-02
293.1283 0.2863770
293.6104 0.7400210
294.0925 0.9615780
294.5746 0.5591740
295.0568 0.1176150
295.5389 0.2862550
296.0210 0.2922970
296.5031 0.9314580
296.9852 0.9544980
297.4673 0.5552060
297.9495 0.2330630
298.4316 0.3043520
298.9137 0.4849240
299.3958 0.2503660
299.8779 0.5178830
300.3600 1.161896
300.8422 0.9718930
301.3243 0.3984680
301.8064 0.2431030
302.2885 0.8963320
302.7706 1.824982
303.2527 2.438019
303.7349 2.720856
304.2170 2.896179
304.6991 2.921600
305.1812 2.977295
305.6633 3.321625
306.1454 4.045471
306.6276 4.907227
307.1097 5.757813
307.5918 6.591705
308.0739 7.307922
308.5560 7.775482
309.0381 8.200043
309.5203 8.862854
310.0024 9.800415
310.4845 10.63626
310.9666 10.90396
311.4487 10.77399
311.9308 11.15247
312.4130 12.42557
312.8951 13.95660
313.3772 15.11438
313.8593 15.96405
314.3414 16.87820
314.8235 18.10257
315.3057 19.51361
315.7878 20.83569
316.2699 22.07605
316.7520 23.17731
317.2341 23.98111
317.7162 24.61859
318.1984 25.34561
318.6805 26.20807
319.1626 27.13074
319.6447 28.16589
320.1268 29.34875
320.6089 30.50995
321.0911 31.67667
321.5732 32.74973
322.0553 33.51752
322.5374 33.85364
323.0195 34.02283
323.5016 34.30777
323.9838 34.66150
324.4659 34.80484
324.9480 34.44498
325.4301 33.93533
325.9122 33.75894
326.3943 34.00735
326.8765 34.26385
327.3586 34.32230
327.8407 34.13544
328.3228 33.55066
328.8049 32.21362
329.2870 30.96161
329.7692 30.80249
330.2513 31.55508
330.7334 31.98715
331.2155 31.37595
331.6976 30.10205
332.1797 29.04019
332.6619 28.23636
333.1440 27.56754
333.6261 26.97855
334.1082 26.46652
334.5903 26.04489
335.0724 25.69351
335.5546 25.44955
336.0367 25.48215
336.5188 25.83698
337.0009 25.93646
337.4830 25.13605
337.9651 23.95892
338.4473 23.44724
338.9294 24.11206
339.4115 24.82986
339.8936 24.46646
340.3757 23.20309
340.8578 22.47668
341.3400 23.11108
341.8221 24.23746
342.3042 24.46457
342.7863 23.64590
343.2684 22.81650
343.7505 22.51746
344.2327 22.57904
344.7148 22.61472
345.1969 22.56174
345.6790 22.41412
346.1611 22.03242
346.6432 21.46713
347.1254 21.17093
347.6075 21.64909
348.0896 22.27037
348.5717 22.09535
349.0538 21.00729
349.5359 19.96820
350.0181 19.78271
350.5002 20.26553
350.9823 20.45064
351.4644 20.06519
351.9465 19.56409
352.4286 19.33273
352.9108 19.32253
353.3929 19.16841
353.8750 18.64093
354.3571 17.85179
354.8392 17.14977
355.3214 16.62057
355.8035 16.05772
356.2856 15.20399
356.7677 14.26784
357.2498 13.76996
357.7319 13.93762
358.2141 14.21162
358.6962 13.75644
359.1783 12.42188
359.6604 11.25266
360.1425 10.47971
360.6246 9.885666
361.1068 9.299713
361.5889 8.687546
362.0710 8.033264
362.5531 7.277374
363.0352 6.434814
363.5173 5.905273
363.9995 5.986755
364.4816 6.057419
364.9637 5.839630
365.4458 5.374924
365.9279 4.738129
366.4100 3.920303
366.8922 3.064560
367.3743 2.672989
367.8564 2.970001
368.3385 3.373322
368.8206 4.111435
369.3027 4.784439
369.7849 4.841522
370.2670 4.148254
370.7491 3.127686
371.2312 2.339890
371.7133 1.824509
372.1954 1.492081
372.6776 1.546753
373.1597 1.601410
373.6418 1.391571
374.1239 0.9436650
374.6060 0.4250640
375.0881 8.0825999E-02
375.5703 0.5570070
376.0524 0.5356290
376.5345 0.7826390
377.0166 1.677795
377.4987 1.520691
377.9808 0.7628780
378.4630 3.7276998E-02
378.9451 0.3657680
379.4272 0.5230710
379.9093 0.6288150
380.3914 0.8393100
380.8735 0.7032470
381.3557 0.2783970
381.8378 1.235168
382.3199 1.424011
382.8020 0.8061680
383.2841 4.3609999E-02
383.7662 0.5189360
384.2484 0.6022640
384.7305 0.4537050
385.2126 0.5308230
385.6947 1.159134
386.1768 0.6562960
386.6589 0.4769900
387.1411 1.179276
387.6232 0.7255710
388.1053 0.4816740
388.5874 0.9308780
389.0695 6.2362999E-02
389.5516 0.5116420
390.0338 0.2357480
390.5159 0.3544160
390.9980 0.8149260
391.4801 1.020691
391.9622 1.048050
392.4443 0.9126280
392.9265 0.5773160
393.4086 0.4512630
393.8907 0.7121120
394.3728 1.091858
394.8549 1.492920
395.3370 1.888962
395.8192 2.218750
396.3013 2.473450
396.7834 2.632050
397.2655 2.571869
397.7476 2.177246
398.2297 1.866867
398.7119 1.826782
399.1940 2.010315
399.6761 2.441269
400.1582 3.246124
400.6403 4.028366
401.1224 4.385941
401.6046 4.334229
402.0867 4.057755
402.5688 3.378036
403.0509 2.765060
403.5330 2.850281
404.0151 3.646118
404.4973 4.363617
404.9794 4.584213
405.4615 4.523544
405.9436 4.485458
406.4257 4.480408
406.9078 4.712097
407.3900 5.558746
407.8721 6.835175
408.3542 7.588791
408.8363 7.384247
409.3184 6.972519
409.8005 6.748169
410.2827 6.703369
410.7648 6.833160
411.2469 7.176941
411.7290 7.610138
412.2111 7.796524
412.6932 7.502411
413.1754 7.565628
413.6575 8.480194
414.1396 9.631805
414.6217 10.38304
415.1038 10.62642
415.5859 10.62819
416.0681 10.62614
416.5502 10.61505
417.0323 10.66180
417.5144 10.54291
417.9965 10.69601
418.4786 11.60014
418.9608 12.87267
419.4429 13.73738
419.9250 13.77580
420.4071 13.31989
420.8892 13.29526
421.3713 14.11761
421.8535 14.76755
422.3356 15.21075
422.8177 15.49019
423.2998 15.49239
423.7819 15.29155
424.2640 15.25542
424.7462 15.86461
425.2283 17.20232
425.7104 17.99927
426.1925 17.61479
426.6746 17.36223
427.1567 17.73625
427.6389 18.45528
428.1210 19.07030
428.6031 19.36847
429.0852 19.46457
429.5673 19.57170
430.0494 19.68343
430.5316 19.69702
431.0137 19.48730
431.4958 19.27391
431.9779 19.20056
432.4600 19.27841
432.9421 19.40485
433.4243 19.55710
433.9064 19.69957
434.3885 19.70415
434.8706 19.43130
435.3527 19.18126
435.8348 19.28546
436.3170 19.45651
436.7991 19.23412
437.2812 18.28107
437.7633 17.25446
438.2454 16.83511
438.7275 16.95363
439.2097 16.99486
439.6918 16.55588
440.1739 16.07278
440.6560 16.41553
441.1381 17.68005
441.6202 18.33842
442.1024 17.52257
442.5845 16.18073
443.0666 15.38994
443.5487 15.20264
444.0308 15.19528
444.5129 15.04590
444.9951 14.75970
445.4772 14.49982
445.9593 14.32587
446.4414 14.11363
446.9235 13.81636
447.4056 13.43756
447.8878 13.05873
448.3699 12.69330
448.8520 12.34845
449.3341 12.05052
449.8162 11.77271
450.2983 11.63362
450.7805 11.89598
451.2626 12.03552
451.7447 11.64404
452.2268 10.88844
452.7089 10.25243
453.1910 10.07996
453.6732 10.23990
454.1553 10.16817
454.6374 9.640503
455.1195 9.260910
455.6016 9.180557
456.0837 9.228958
456.5659 9.354721
457.0480 9.513275
457.5301 9.511292
458.0122 8.896255
458.4943 7.688934
458.9764 7.389282
459.4586 8.628677
459.9407 9.915771
460.4228 10.53780
460.9049 10.66005
461.3870 10.55882
461.8691 10.30821
462.3513 9.908218
462.8334 9.214035
463.3155 8.249008
463.7976 7.658600
464.2797 7.820236
464.7618 8.236710
465.2440 8.263901
465.7261 7.901138
466.2082 7.533005
466.6903 7.123734
467.1724 6.864807
467.6545 7.251907
468.1367 8.250854
468.6188 8.784027
469.1009 7.940369
469.5830 6.094437
470.0651 5.133240
470.5472 5.734192
471.0294 6.235977
471.5115 6.224121
471.9936 5.880402
472.4757 5.318726
472.9578 4.602585
473.4399 3.988586
473.9221 3.826431
474.4042 4.244217
474.8863 4.363770
475.3684 4.027054
475.8505 3.598297
476.3326 3.107498
476.8148 2.637741
477.2969 2.340500
477.7790 2.298950
478.2611 2.351532
478.7432 2.123383
479.2253 1.466034
479.7075 0.9557500
480.1896 0.7373350
480.6717 0.6184080
481.1538 0.5248570
481.6359 0.4441220
482.1180 0.3696750
482.6002 0.2651670
483.0823 0.1746220
483.5644 0.2663730
484.0465 0.6156770
484.5286 0.8735050
485.0107 0.9223020
485.4929 0.7685240
485.9750 0.3028410
486.4571 0.5923160
486.9392 1.229385
487.4213 0.9520260
487.9034 0.1500550
488.3856 0.3150330
488.8677 0.2966770
489.3498 2.9678000E-02
489.8319 0.4166410
490.3140 0.9845120
490.7961 1.124283
491.2783 0.2715910
491.7604 0.4070890
492.2425 2.7344000E-02
492.7246 0.8341370
493.2067 1.007324
493.6888 8.1344999E-02
494.1710 1.296982
494.6531 2.139465
495.1352 2.317657
495.6173 2.320663
496.0994 2.035065
496.5815 1.711685
497.0637 1.398819
497.5458 1.149628
498.0279 1.074890
498.5100 1.255493
498.9921 1.551300
499.4742 1.547348
499.9564 0.9885560
500.4385 0.7830510
500.9206 1.388290
501.4027 2.118088
501.8848 2.558426
502.3669 2.714493
502.8491 2.828339
503.3312 2.999084
503.8133 3.262543
504.2954 3.824951
504.7775 4.805969
505.2596 5.504181
505.7418 5.397629
506.2239 4.918533
506.7060 4.641220
507.1881 4.583588
507.6702 4.815247
508.1523 5.677048
508.6345 6.775345
509.1166 7.380432
509.5987 7.384796
510.0808 7.312988
510.5629 7.593536
511.0450 8.194931
511.5272 8.712509
512.0093 9.156433
512.4914 9.511917
512.9735 9.642471
513.4556 9.717148
513.9377 10.01085
514.4199 10.58205
514.9020 11.26341
515.3841 11.86523
515.8662 12.40521
516.3483 12.74266
516.8304 12.71660
517.3126 12.65204
517.7947 12.56850
518.2768 12.52321
518.7589 12.60205
519.2410 12.84204
519.7231 13.16016
520.2053 13.43433
520.6874 13.65773
521.1695 13.92195
521.6516 14.21611
522.1337 14.58638
522.6158 15.21109
523.0980 15.94308
523.5801 16.34973
524.0622 16.16286
524.5443 15.69983
525.0264 14.99239
525.5085 14.17816
525.9907 14.25656
526.4728 15.82855
526.9549 17.88345
527.4370 18.92406
527.9191 18.84877
528.4012 18.56543
528.8834 18.00441
529.3655 17.39845
529.8476 16.87329
530.3297 16.43806
530.8118 16.10619
531.2939 15.89159
531.7761 15.73155
532.2582 15.44798
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1263.147 1.730881
1263.629 1.870728
1264.111 2.385391
1264.594 2.660072
1265.076 2.716408
1265.558 2.578163
1266.040 2.067619
1266.522 1.989388
1267.004 2.486977
1267.486 2.976166
1267.968 3.315033
1268.450 3.345551
1268.932 2.983200
1269.415 2.248672
1269.897 0.8905330
1270.379 0.1500090
1270.861 7.4615002E-02
1271.343 0.6836090
1271.825 1.327179
1272.307 1.804977
1272.789 1.995651
1273.271 1.910202
1273.754 1.750397
1274.236 1.593994
1274.718 1.350128
1275.200 0.9861600
1275.682 0.7269130
1276.164 0.6316070
1276.646 0.7769780
1277.128 1.385315
1277.611 2.001846
1278.093 1.935928
1278.575 1.537643
1279.057 1.311417
1279.539 1.014969
1280.021 0.9511570
1280.503 1.268997
1280.985 1.086166
1281.468 0.3248750
1281.950 3.6773998E-02
1282.432 0.2606050
1282.914 0.7295680
1283.396 1.237167
1283.878 1.276260
1284.360 1.078369
1284.842 0.5704960
1285.324 0.0000000E+00
