#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:55 +0300 (Thu, 24 May 2018) $
#$Revision: 677 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000199.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_1000199
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;
 The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt
 mineral with essential cadmium
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              623
_journal_page_last               630
_journal_volume                  34
_journal_year                    1996
_chemical_compound_source        R050585
_chemical_formula_sum            'As3 Cd Cu1.5 H0.02 O14 Zn2'
_chemical_name_mineral           Keyite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.11
_cell_angle_gamma                90
_cell_length_a                   11.654
_cell_length_b                   12.780
_cell_length_c                   6.840
_cell_volume                     1005.887
_exptl_crystal_density_diffrn    5.199
_cod_original_formula_sum        'Cu1.5 Zn2 Cd As3 O14 H.02'
_cod_database_code               9010543
_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            R050585.rod
_rod_data_source.block           3500000
_rod_database.code               1000199
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 9010543 COD http://www.crystallography.net/cod/9010543.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
150.9828 0.0000000E+00
151.4649 0.8439940
151.9470 22.52246
152.4291 42.24561
152.9112 44.18726
153.3933 45.52100
153.8755 59.28052
154.3576 103.2493
154.8397 141.9041
155.3218 166.4946
155.8039 175.1267
156.2860 183.3008
156.7682 185.2546
157.2503 186.3396
157.7324 196.0918
158.2145 232.5430
158.6966 266.2061
159.1787 283.2998
159.6609 274.6370
160.1430 266.8247
160.6251 276.6707
161.1072 307.3589
161.5893 339.7253
162.0714 305.4504
162.5536 256.3118
163.0357 226.4648
163.5178 239.4949
163.9999 252.6589
164.4820 243.6287
164.9641 215.4355
165.4463 187.0664
165.9284 166.8772
166.4105 151.7422
166.8926 138.2881
167.3747 126.2117
167.8568 114.6592
168.3390 104.4824
168.8211 96.17603
169.3032 83.86597
169.7853 59.47510
170.2674 28.68115
170.7495 1.438232
171.2317 22.40552
171.7138 38.29199
172.1959 38.41577
172.6780 18.10718
173.1601 4.442871
173.6422 11.00684
174.1244 6.110840
174.6065 4.329346
175.0886 17.96094
175.5707 39.36890
176.0528 57.19336
176.5349 67.61621
177.0171 75.26855
177.4992 85.64258
177.9813 98.36646
178.4634 111.2222
178.9455 117.3252
179.4276 121.9153
179.9098 137.8313
180.3919 177.0894
180.8740 225.6008
181.3561 261.0298
181.8382 282.7156
182.3203 298.2556
182.8025 310.3755
183.2846 321.0251
183.7667 338.5669
184.2488 368.7251
184.7309 408.8003
185.2130 450.2561
185.6951 493.9214
186.1773 537.7417
186.6594 577.5579
187.1415 614.0264
187.6236 655.1030
188.1057 713.7852
188.5878 783.5632
189.0700 834.5154
189.5521 860.3528
190.0342 870.4075
190.5163 878.7468
190.9984 885.1267
191.4805 892.6931
191.9627 907.2615
192.4448 927.4956
192.9269 938.2473
193.4090 937.5305
193.8911 925.3135
194.3732 899.1418
194.8554 857.2539
195.3375 810.2219
195.8196 769.4224
196.3017 735.2429
196.7838 693.8323
197.2659 640.1316
197.7481 576.6199
198.2302 514.4131
198.7123 447.8513
199.1944 388.8486
199.6765 355.7925
200.1586 350.9460
200.6408 351.5010
201.1229 351.5557
201.6050 349.6301
202.0871 340.7214
202.5692 324.0376
203.0513 305.9885
203.5335 292.9355
204.0156 285.0601
204.4977 282.8647
204.9798 288.4568
205.4619 303.2341
205.9440 315.0618
206.4262 323.7458
206.9083 329.0198
207.3904 329.5481
207.8725 324.0032
208.3546 317.1694
208.8367 310.8157
209.3189 302.1785
209.8010 303.4219
210.2831 320.3870
210.7652 347.4458
211.2473 356.8501
211.7294 340.1343
212.2116 322.5530
212.6937 326.3726
213.1758 360.9866
213.6579 386.0366
214.1400 391.6423
214.6221 379.8806
215.1043 381.0557
215.5864 399.7576
216.0685 424.9609
216.5506 446.2056
217.0327 463.6414
217.5148 477.0896
217.9970 484.5391
218.4791 485.1150
218.9612 494.2886
219.4433 517.8801
219.9254 543.8347
220.4075 555.1084
220.8897 544.8508
221.3718 533.3689
221.8539 525.7253
222.3360 521.1350
222.8181 524.2512
223.3002 540.7007
223.7824 561.2395
224.2645 567.6812
224.7466 551.8064
225.2287 536.1543
225.7108 529.9927
226.1929 537.9429
226.6750 543.0676
227.1572 546.4197
227.6393 546.7180
228.1214 538.9277
228.6035 515.1990
229.0856 493.1829
229.5677 484.3269
230.0499 499.9290
230.5320 507.4966
231.0141 504.7546
231.4962 491.7478
231.9783 472.3003
232.4604 442.5706
232.9426 411.8682
233.4247 384.6306
233.9068 360.6096
234.3889 341.8323
234.8710 331.7046
235.3531 328.4797
235.8353 316.0483
236.3174 287.4387
236.7995 257.6250
237.2816 238.0078
237.7637 232.4905
238.2458 230.1106
238.7280 232.2717
239.2101 238.7732
239.6922 234.5195
240.1743 215.0273
240.6564 189.2185
241.1385 164.9617
241.6207 141.3850
242.1028 120.4590
242.5849 103.9199
243.0670 92.53857
243.5491 74.70239
244.0313 44.71899
244.5134 13.02759
244.9955 7.973145
245.4776 13.96655
245.9597 16.68555
246.4418 18.42188
246.9240 18.89917
247.4061 19.95898
247.8882 21.88037
248.3703 24.12476
248.8524 25.88525
249.3345 26.92310
249.8167 27.93140
250.2988 29.63843
250.7809 33.08911
251.2630 33.20068
251.7451 29.87695
252.2272 23.33740
252.7094 13.25562
253.1915 3.329346
253.6736 18.33228
254.1557 26.94751
254.6378 23.38867
255.1199 32.51978
255.6021 59.37622
256.0842 96.37061
256.5663 128.1680
257.0484 157.6318
257.5305 177.0112
258.0126 178.9773
258.4948 150.4272
258.9769 142.5969
259.4590 162.8640
259.9411 201.6897
260.4232 234.0808
260.9053 259.0068
261.3875 279.5620
261.8696 295.6555
262.3517 302.6848
262.8338 319.9062
263.3159 352.4827
263.7980 394.7373
264.2802 426.1899
264.7623 441.0093
265.2444 458.6218
265.7265 492.5969
266.2086 546.9336
266.6907 592.2739
267.1729 624.2214
267.6550 645.2957
268.1371 665.0532
268.6192 682.3076
269.1013 700.3455
269.5834 726.3303
270.0656 766.7444
270.5477 781.8923
271.0298 758.8035
271.5119 708.0610
271.9940 674.6199
272.4761 662.4248
272.9583 658.3330
273.4404 653.2998
273.9225 647.1575
274.4046 641.2588
274.8867 635.4075
275.3688 630.0381
275.8510 628.8806
276.3331 634.6245
276.8152 636.5852
277.2973 622.3674
277.7794 589.6104
278.2615 563.4963
278.7437 550.0510
279.2258 546.7302
279.7079 542.0818
280.1900 535.6487
280.6721 529.7180
281.1542 523.9255
281.6364 517.8887
282.1185 522.7285
282.6006 545.5054
283.0827 580.1375
283.5648 602.2488
284.0469 611.0813
284.5291 611.5488
285.0112 604.5559
285.4933 590.4573
285.9754 581.2939
286.4575 580.7896
286.9396 587.2498
287.4217 595.1716
287.9038 604.3936
288.3860 615.7478
288.8681 630.7832
289.3502 649.0020
289.8323 668.2710
290.3144 691.5942
290.7965 714.0823
291.2787 717.3884
291.7608 699.8345
292.2429 681.5361
292.7250 683.7529
293.2071 703.0156
293.6892 721.9990
294.1714 734.2026
294.6535 742.9343
295.1356 758.7722
295.6177 782.4319
296.0998 800.3577
296.5819 794.8367
297.0641 772.1621
297.5462 753.3264
298.0283 747.3213
298.5104 748.3352
298.9925 744.1445
299.4746 734.6440
299.9568 731.3325
300.4389 755.2400
300.9210 793.3064
301.4031 815.4443
301.8852 797.5056
302.3673 764.9822
302.8495 752.1677
303.3316 759.3540
303.8137 767.7097
304.2958 761.3623
304.7779 745.4851
305.2600 729.2593
305.7422 719.1677
306.2243 708.1726
306.7064 686.1257
307.1885 653.6135
307.6706 624.7764
308.1527 618.5195
308.6349 619.9578
309.1170 608.9465
309.5991 565.0969
310.0812 516.0261
310.5633 485.2151
311.0454 471.6057
311.5276 453.2673
312.0097 408.7566
312.4918 355.1387
312.9739 311.1362
313.4560 292.4250
313.9381 277.9014
314.4203 255.0950
314.9024 224.5120
315.3845 197.3630
315.8666 184.7969
316.3487 175.5872
316.8308 159.1223
317.3130 119.6716
317.7951 84.00464
318.2772 66.88452
318.7593 66.48389
319.2414 61.25293
319.7235 35.42725
320.2057 6.310791
320.6878 12.37915
321.1699 4.491943
321.6520 0.8991700
322.1341 8.925293
322.6162 30.73340
323.0984 37.46436
323.5805 7.415283
324.0626 28.25610
324.5447 48.07739
325.0268 36.14355
325.5089 24.62671
325.9911 17.06885
326.4732 13.43726
326.9553 11.98169
327.4374 9.385498
327.9195 11.35107
328.4016 20.35205
328.8838 38.72925
329.3659 61.51709
329.8480 93.87671
330.3301 132.9204
330.8122 160.6506
331.2943 173.8076
331.7765 181.2788
332.2586 186.6023
332.7407 182.1711
333.2228 189.8411
333.7049 215.1360
334.1870 253.7776
334.6692 287.4744
335.1513 311.4888
335.6334 338.7998
336.1155 378.6196
336.5976 438.4666
337.0797 487.2253
337.5619 519.4983
338.0440 541.0286
338.5261 566.3982
339.0082 594.9814
339.4903 628.7881
339.9724 669.4280
340.4546 717.9053
340.9367 767.7834
341.4188 820.5776
341.9009 873.0769
342.3830 916.8306
342.8651 950.4919
343.3473 987.0183
343.8294 1036.803
344.3115 1098.665
344.7936 1146.873
345.2757 1175.565
345.7578 1202.725
346.2400 1264.885
346.7221 1359.045
347.2042 1446.373
347.6863 1505.868
348.1684 1543.153
348.6505 1573.820
349.1327 1596.506
349.6148 1622.850
350.0969 1673.615
350.5790 1742.238
351.0611 1803.662
351.5432 1843.003
352.0254 1868.308
352.5075 1895.569
352.9896 1926.372
353.4717 1945.748
353.9538 1933.393
354.4359 1899.860
354.9181 1866.094
355.4002 1852.944
355.8823 1836.530
356.3644 1789.322
356.8465 1710.811
357.3286 1631.661
357.8108 1582.594
358.2929 1541.496
358.7750 1478.439
359.2571 1352.310
359.7392 1226.639
360.2213 1140.731
360.7035 1092.421
361.1856 1044.732
361.6677 980.0378
362.1498 909.4592
362.6319 841.8992
363.1140 780.3735
363.5962 721.4338
364.0783 661.3674
364.5604 601.5063
365.0425 551.3374
365.5246 526.8984
366.0067 503.9043
366.4889 467.5059
366.9710 389.3044
367.4531 328.3879
367.9352 299.3967
368.4173 294.7341
368.8994 280.6340
369.3815 248.1748
369.8636 213.5342
370.3458 183.6550
370.8279 157.3118
371.3100 137.5652
371.7921 126.5168
372.2742 121.4597
372.7563 117.0142
373.2385 118.6462
373.7206 111.7134
374.2027 83.98560
374.6848 22.45068
375.1669 2.116699
375.6490 25.16187
376.1312 73.89966
376.6133 93.08984
377.0954 76.76929
377.5775 54.86182
378.0596 37.97949
378.5417 25.94727
379.0239 9.235107
379.5060 14.20410
379.9881 36.43042
380.4702 48.73511
380.9523 50.79395
381.4344 42.31152
381.9166 19.81226
382.3987 10.05347
382.8808 30.99414
383.3629 42.82104
383.8450 45.58911
384.3271 32.28931
384.8093 8.673584
385.2914 6.401855
385.7735 2.009277
386.2556 8.612061
386.7377 3.214600
387.2198 16.59766
387.7020 28.29199
388.1841 6.713135
388.6662 30.68408
389.1483 61.58936
389.6304 83.71875
390.1125 94.01196
390.5947 89.12183
391.0768 75.79321
391.5589 66.41333
392.0410 79.15063
392.5231 96.56836
393.0052 103.3628
393.4874 91.98242
393.9695 85.84912
394.4516 103.3311
394.9337 133.8455
395.4158 156.5068
395.8979 155.6685
396.3801 153.4985
396.8622 159.5554
397.3443 176.7656
397.8264 196.1055
398.3085 215.7144
398.7906 234.3250
399.2728 252.0686
399.7549 266.6204
400.2370 284.1311
400.7191 309.2510
401.2012 343.3918
401.6833 363.3005
402.1655 358.4900
402.6476 349.7512
403.1297 356.1411
403.6118 385.7214
404.0939 410.8677
404.5760 426.3809
405.0582 434.0815
405.5403 443.6289
406.0224 455.9312
406.5045 467.1611
406.9866 474.2253
407.4688 476.8977
407.9509 479.3198
408.4330 482.2856
408.9151 484.6611
409.3972 483.3167
409.8793 478.2373
410.3615 473.3193
410.8436 470.4895
411.3257 469.5312
411.8078 470.7305
412.2899 474.8655
412.7720 477.7720
413.2542 474.5259
413.7363 466.0481
414.2184 454.8291
414.7005 438.2551
415.1826 421.6003
415.6647 412.2446
416.1469 410.5498
416.6290 409.4780
417.1111 406.7463
417.5932 400.7825
418.0753 389.7527
418.5574 369.2095
419.0396 346.6233
419.5217 324.2166
420.0038 302.4570
420.4859 282.9631
420.9680 268.2708
421.4501 255.0684
421.9323 241.4895
422.4144 226.1592
422.8965 211.6331
423.3786 199.2356
423.8607 188.1167
424.3428 175.6067
424.8250 156.9646
425.3071 140.9312
425.7892 131.2241
426.2713 130.6736
426.7534 128.4250
427.2355 123.2947
427.7177 117.1497
428.1998 113.1448
428.6819 112.8613
429.1640 110.6819
429.6461 102.8621
430.1282 89.73096
430.6104 86.95410
431.0925 97.37573
431.5746 110.5535
432.0567 115.8743
432.5388 113.1079
433.0209 109.3203
433.5031 106.7017
433.9852 103.8142
434.4673 95.02515
434.9494 51.96216
435.4315 82.73462
435.9136 98.12036
436.3958 98.95630
436.8779 41.17749
437.3600 58.66821
437.8421 44.51343
438.3242 28.53809
438.8063 54.99365
439.2885 4.108643
439.7706 32.14136
440.2527 30.49438
440.7348 43.13306
441.2169 25.32520
441.6990 17.12354
442.1812 39.68823
442.6633 45.45850
443.1454 24.42847
443.6275 38.77173
444.1096 9.186279
444.5917 2.083984
445.0739 27.92651
445.5560 7.840820
446.0381 23.25586
446.5202 26.22827
447.0023 29.57056
447.4844 17.24658
447.9666 19.89844
448.4487 22.80078
448.9308 20.95337
449.4129 15.17798
449.8950 22.59717
450.3771 8.375732
450.8593 16.42065
451.3413 11.01416
451.8235 4.560303
452.3056 6.229736
452.7877 7.235596
453.2698 2.899658
453.7519 7.708496
454.2340 11.99219
454.7162 1.746094
455.1983 16.66724
455.6804 18.59326
456.1625 3.238281
456.6446 14.73730
457.1267 24.29004
457.6089 26.74048
458.0910 25.67383
458.5731 20.52808
459.0552 14.53271
459.5373 10.62891
460.0194 8.948242
460.5016 9.875977
460.9837 12.62354
461.4658 18.71899
461.9479 32.77637
462.4300 58.12939
462.9121 75.46240
463.3943 65.12866
463.8764 43.62231
464.3585 32.40649
464.8406 48.74243
465.3227 65.67554
465.8048 72.19189
466.2870 68.12915
466.7691 70.95044
467.2512 88.79126
467.7333 109.8508
468.2154 127.4111
468.6975 145.4175
469.1797 152.5547
469.6618 140.7261
470.1439 119.6475
470.6260 116.6587
471.1081 138.8787
471.5902 161.8894
472.0724 174.1309
472.5545 174.7107
473.0366 182.2178
473.5187 198.5212
474.0008 216.2976
474.4829 226.2695
474.9651 228.9541
475.4472 230.0447
475.9293 229.2505
476.4114 229.4006
476.8935 237.9067
477.3756 254.1604
477.8578 270.9043
478.3399 283.8945
478.8220 294.5183
479.3041 300.4275
479.7862 298.7861
480.2683 302.0952
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1296.492 0.0000000E+00
