#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:27:57 +0300 (Thu, 26 Apr 2018) $
#$Revision: 466 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000031.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_1000031
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 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            R050585.rod
_rod_data_source.block           3500000
_rod_database.code               1000031
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
106.5063 0.0000000E+00
106.9884 49.54297
107.4705 109.4897
107.9526 146.4819
108.4348 156.0220
108.9169 139.9233
109.3990 109.0435
109.8811 35.67188
110.3632 5.174805
110.8453 0.7143550
111.3275 26.75098
111.8096 61.65186
112.2917 96.77246
112.7738 129.2949
113.2559 148.0571
113.7380 134.8271
114.2202 128.8872
114.7023 143.6826
115.1844 172.4824
115.6665 200.1001
116.1486 214.8623
116.6307 219.1162
117.1129 239.4424
117.5950 297.8672
118.0771 355.7842
118.5592 379.5220
119.0413 365.8511
119.5234 345.4712
120.0056 339.3057
120.4877 346.0605
120.9698 367.4019
121.4519 412.2163
121.9340 472.9668
122.4161 536.2212
122.8982 587.1567
123.3804 631.6753
123.8625 672.2852
124.3446 710.2720
124.8267 753.2036
125.3088 816.7437
125.7909 896.0713
126.2731 944.2349
126.7552 979.1982
127.2373 992.7808
127.7194 975.5176
128.2015 929.0708
128.6837 867.3804
129.1658 813.9829
129.6479 774.9307
130.1300 732.8965
130.6121 693.2749
131.0942 647.7798
131.5764 584.0679
132.0585 497.0977
132.5406 397.3486
133.0227 323.4380
133.5048 297.2031
133.9869 275.0820
134.4691 257.0400
134.9512 239.4678
135.4333 217.6392
135.9154 188.2520
136.3975 151.4722
136.8796 112.8618
137.3618 54.13135
137.8439 9.738770
138.3260 6.999512
138.8081 41.32373
139.2902 75.85352
139.7723 78.30176
140.2545 48.06445
140.7366 24.25635
141.2187 11.91797
141.7008 5.580566
142.1829 0.1005860
142.6650 4.713379
143.1472 10.39941
143.6293 23.52881
144.1114 41.76660
144.5935 49.68799
145.0756 33.64307
145.5577 1.051270
146.0399 21.94434
146.5220 21.75879
147.0041 22.58887
147.4862 50.65137
147.9683 104.0293
148.4504 149.4604
148.9326 146.9443
149.4147 89.36279
149.8968 59.07422
150.3789 103.7881
150.8610 161.0400
151.3431 199.9912
151.8252 213.4497
152.3074 210.9331
152.7895 204.1377
153.2716 185.7290
153.7537 179.7798
154.2358 196.6758
154.7179 220.9033
155.2001 238.5400
155.6822 243.6396
156.1643 241.7383
156.6464 250.2456
157.1285 296.7891
157.6106 318.5435
158.0928 287.1338
158.5749 232.5645
159.0570 198.1021
159.5391 211.2534
160.0212 266.1880
160.5033 289.1426
160.9855 252.2314
161.4676 215.9189
161.9497 201.6396
162.4318 204.2842
162.9139 208.0454
163.3960 202.2993
163.8782 190.5542
164.3603 176.2681
164.8424 149.5327
165.3245 127.7788
165.8066 127.0439
166.2887 148.2661
166.7709 174.2686
167.2530 192.9072
167.7351 203.4155
168.2172 138.8232
168.6993 213.0776
169.1814 255.6890
169.6636 268.8682
170.1457 162.0283
170.6278 210.7627
171.1099 196.0210
171.5920 178.2876
172.0741 247.2749
172.5563 156.2314
173.0384 223.7524
173.5205 227.9771
174.0026 261.6274
174.4847 233.1309
174.9668 222.8979
175.4490 275.2705
175.9311 292.8193
176.4132 255.7666
176.8953 290.5527
177.3774 197.0479
177.8595 216.0845
178.3417 283.6558
178.8238 249.6616
179.3059 285.4204
179.7880 294.6025
180.2701 183.0200
180.7522 282.1479
181.2344 289.7651
181.7165 203.7754
182.1986 294.5781
182.6807 221.3335
183.1628 206.6963
183.6449 236.0679
184.1271 219.3867
184.6092 275.0537
185.0913 260.9429
185.5734 241.5791
186.0555 250.8237
186.5376 240.0308
187.0198 240.0010
187.5019 240.7349
187.9840 246.7988
188.4661 263.7373
188.9482 279.9014
189.4303 294.7104
189.9125 308.2070
190.3946 321.7329
190.8767 336.4282
191.3588 350.0015
191.8409 351.5942
192.3230 328.9346
192.8052 307.9790
193.2873 289.6104
193.7694 276.2891
194.2515 273.6406
194.7336 286.8384
195.2157 312.6655
195.6979 320.9170
196.1800 306.7817
196.6621 286.9087
197.1442 258.5669
197.6263 226.6118
198.1084 205.9082
198.5906 209.6245
199.0727 235.1875
199.5548 245.0449
200.0369 233.5234
200.5190 212.9575
201.0011 181.8979
201.4833 142.6665
201.9654 115.0762
202.4475 119.4409
202.9296 154.5176
203.4117 181.2778
203.8938 205.4033
204.3760 213.9175
204.8581 186.9243
205.3402 121.8965
205.8223 56.70947
206.3044 20.83252
206.7865 9.417969
207.2687 7.045898
207.7508 17.06250
208.2329 32.61475
208.7150 45.13916
209.1971 54.62402
209.6792 59.01172
210.1614 49.42725
210.6435 32.42725
211.1256 24.54150
211.6077 42.45654
212.0898 72.39258
212.5719 82.32275
213.0541 63.42285
213.5362 39.01172
214.0183 22.41699
214.5004 12.68750
214.9825 8.534668
215.4646 13.41797
215.9468 24.43604
216.4289 27.93848
216.9110 15.42578
217.3931 7.281250
217.8752 21.57764
218.3573 50.42041
218.8395 70.97803
219.3216 63.36914
219.8037 30.08496
220.2858 1.388184
220.7679 26.43506
221.2500 43.92236
221.7322 44.17676
222.2143 30.32959
222.6964 12.11279
223.1785 4.298340
223.6606 19.00879
224.1427 29.85156
224.6249 38.07471
225.1070 40.52783
225.5891 32.74463
226.0712 16.96289
226.5533 0.3330080
227.0354 11.86475
227.5176 20.11963
227.9997 20.37012
228.4818 3.162598
228.9639 14.22363
229.4460 27.10107
229.9281 34.10498
230.4103 34.28223
230.8924 23.37256
231.3745 4.943848
231.8566 15.28857
232.3387 12.03418
232.8208 39.34424
233.3030 47.89648
233.7851 38.03223
234.2672 22.33789
234.7493 14.41602
235.2314 16.44189
235.7135 18.89307
236.1957 26.27490
236.6778 30.58447
237.1599 21.65967
237.6420 2.226074
238.1241 12.00537
238.6062 0.2612300
239.0884 55.97266
239.5705 81.08105
240.0526 52.60352
240.5347 17.33545
241.0168 6.003906
241.4989 19.86279
241.9811 36.87646
242.4632 29.54541
242.9453 17.51514
243.4274 40.22900
243.9095 30.31738
244.3916 6.359863
244.8738 27.37744
245.3559 66.83105
245.8380 100.6313
246.3201 114.1812
246.8022 97.71484
247.2843 91.42969
247.7665 108.9751
248.2486 126.2012
248.7307 119.0933
249.2128 87.57764
249.6949 57.73242
250.1770 61.13770
250.6592 112.6284
251.1413 147.5601
251.6234 157.6143
252.1055 157.8281
252.5876 156.9917
253.0697 157.0698
253.5519 158.8013
254.0340 163.0674
254.5161 170.4731
254.9982 178.7788
255.4803 187.3994
255.9624 197.2041
256.4445 213.7139
256.9267 234.9492
257.4088 249.0220
257.8909 239.0322
258.3730 196.2734
258.8551 177.6504
259.3372 199.9077
259.8194 235.4575
260.3015 264.5630
260.7836 284.4287
261.2657 299.3276
261.7478 313.4258
262.2299 326.7764
262.7121 335.4604
263.1942 334.8506
263.6763 332.2817
264.1584 335.5913
264.6405 345.1870
265.1227 352.5547
265.6048 347.1328
266.0869 327.9102
266.5690 324.1216
267.0511 353.5220
267.5332 387.0635
268.0154 401.9521
268.4975 396.4761
268.9796 378.6372
269.4617 349.8989
269.9438 311.1562
270.4259 289.1470
270.9081 299.3091
271.3902 315.8003
271.8723 316.2607
272.3544 300.3682
272.8365 285.6978
273.3186 287.3257
273.8008 303.7036
274.2829 311.6582
274.7650 305.9302
275.2471 295.1885
275.7292 282.7378
276.2113 269.5098
276.6935 263.4092
277.1756 275.4238
277.6577 299.8457
278.1398 302.5718
278.6219 254.2651
279.1040 206.0537
279.5862 200.0552
280.0683 232.6992
280.5504 265.9531
281.0325 276.7354
281.5146 267.5815
281.9967 259.4941
282.4789 250.3721
282.9610 243.9858
283.4431 246.4946
283.9252 255.6470
284.4073 258.1987
284.8894 244.6919
285.3716 220.1094
285.8537 200.6948
286.3358 186.5488
286.8179 178.8281
287.3000 183.0986
287.7821 195.9336
288.2643 202.4834
288.7464 193.0405
289.2285 175.1133
289.7106 168.4780
290.1927 178.7930
290.6748 192.5908
291.1570 206.7080
291.6391 220.0151
292.1212 227.9487
292.6033 226.5400
293.0854 222.0518
293.5675 230.1426
294.0497 260.7554
294.5318 277.1812
295.0139 253.2407
295.4960 204.3794
295.9781 164.2666
296.4602 144.4072
296.9424 140.2891
297.4245 148.8633
297.9066 172.7261
298.3887 192.2134
298.8708 202.5996
299.3529 204.5522
299.8351 196.2812
300.3172 174.9019
300.7993 150.2568
301.2814 139.7817
301.7635 147.1587
302.2456 150.3960
302.7278 140.9082
303.2099 123.8652
303.6920 101.1445
304.1741 71.39209
304.6562 51.36035
305.1383 68.27930
305.6205 124.9912
306.1026 163.2231
306.5847 169.1650
307.0668 156.3911
307.5489 131.3936
308.0310 95.25098
308.5132 67.03662
308.9953 70.11133
309.4774 105.7402
309.9595 120.2642
310.4416 84.83008
310.9237 46.54639
311.4059 54.98291
311.8880 107.1562
312.3701 144.3008
312.8522 112.5908
313.3343 17.91357
313.8164 29.50684
314.2986 7.661133
314.7807 56.62061
315.2628 79.83057
315.7449 78.86279
316.2270 65.72070
316.7091 43.19238
317.1913 15.93018
317.6734 9.730957
318.1555 39.18018
318.6376 70.41260
319.1197 97.80469
319.6018 117.6787
320.0840 118.4473
320.5661 90.73975
321.0482 46.84375
321.5303 29.25977
322.0124 50.42529
322.4945 75.83887
322.9767 101.6899
323.4588 126.7158
323.9409 148.6411
324.4230 166.5322
324.9051 182.1152
325.3872 199.9551
325.8694 232.0337
326.3515 247.1416
326.8336 224.4771
327.3157 191.1216
327.7978 174.5317
328.2799 182.5054
328.7621 203.6533
329.2442 221.5913
329.7263 231.9473
330.2084 248.5889
330.6905 272.6611
331.1726 302.7959
331.6548 346.3940
332.1369 399.0127
332.6190 441.3696
333.1011 455.4092
333.5832 432.4062
334.0653 432.1328
334.5475 467.8911
335.0296 510.5376
335.5117 548.8486
335.9938 580.1880
336.4759 605.5244
336.9580 629.3838
337.4402 651.7769
337.9223 666.0938
338.4044 661.5654
338.8865 660.8335
339.3686 669.1201
339.8507 685.3926
340.3329 706.7363
340.8150 731.4229
341.2971 760.3052
341.7792 797.9331
342.2613 863.6309
342.7434 913.1909
343.2256 933.8018
343.7077 939.5815
344.1898 942.6890
344.6719 948.1538
345.1540 959.1353
345.6361 984.6636
346.1183 1040.791
346.6004 1079.592
347.0825 1087.041
347.5646 1086.296
348.0467 1095.024
348.5288 1116.198
349.0110 1139.284
349.4931 1150.377
349.9752 1146.568
350.4573 1142.413
350.9394 1139.087
351.4215 1134.645
351.9037 1129.803
352.3858 1123.449
352.8679 1112.018
353.3500 1088.706
353.8321 1054.248
354.3142 1034.042
354.7964 1046.387
355.2785 1050.809
355.7606 1027.006
356.2427 984.4072
356.7248 941.6162
357.2069 908.1904
357.6891 882.5078
358.1712 862.8213
358.6533 855.9717
359.1354 838.9663
359.6175 793.9995
360.0996 737.8291
360.5818 690.1294
361.0639 659.3052
361.5460 633.4722
362.0281 593.8784
362.5102 537.8521
362.9923 491.1577
363.4745 470.4531
363.9566 457.5645
364.4387 433.7876
364.9208 395.8213
365.4029 358.3667
365.8850 332.5615
366.3672 316.9717
366.8493 303.9209
367.3314 294.1680
367.8135 283.0913
368.2956 262.8223
368.7777 234.3315
369.2599 212.6558
369.7420 209.5659
370.2241 215.7681
370.7062 216.1079
371.1883 208.7700
371.6704 195.9038
372.1526 181.0591
372.6347 163.1343
373.1168 139.8750
373.5989 96.13867
374.0810 58.00244
374.5631 53.47998
375.0453 78.53564
375.5274 101.6733
376.0095 105.2671
376.4916 91.79053
376.9737 74.30322
377.4558 43.61377
377.9380 19.69727
378.4201 13.98535
378.9022 20.29688
379.3843 25.66602
379.8664 23.50781
380.3485 17.24561
380.8307 11.77490
381.3128 7.354004
381.7949 3.518066
382.2770 4.317383
382.7591 3.550293
383.2412 8.813477
383.7234 31.60840
384.2055 51.96387
384.6876 55.55811
385.1697 34.37305
385.6518 19.80908
386.1339 17.41406
386.6161 15.26562
387.0982 3.606445
387.5803 13.48389
388.0624 21.84521
388.5445 8.515625
389.0266 22.45801
389.5088 26.17822
389.9909 39.18896
390.4730 83.83594
390.9551 82.56006
391.4372 55.31250
391.9193 22.24268
392.4015 8.523438
392.8836 30.45508
393.3657 27.67773
393.8478 10.45117
394.3299 47.75537
394.8120 86.89014
395.2942 117.3994
395.7763 129.8838
396.2584 123.8569
396.7405 110.0107
397.2226 91.67529
397.7047 68.74365
398.1869 71.30908
398.6690 119.5659
399.1511 172.9526
399.6332 213.9453
400.1153 241.7720
400.5974 255.4243
401.0796 246.0298
401.5617 224.3760
402.0438 215.9043
402.5259 224.1729
403.0080 231.9448
403.4901 227.5854
403.9723 218.8105
404.4544 212.7026
404.9365 208.8823
405.4186 211.8008
405.9007 230.2690
406.3828 260.6973
406.8650 282.8296
407.3471 287.3911
407.8292 282.8125
408.3113 283.2783
408.7934 289.9414
409.2755 294.5791
409.7577 286.6875
410.2398 278.2778
410.7219 290.9175
411.2040 328.3701
411.6861 366.0020
412.1682 377.0098
412.6504 356.5640
413.1325 350.2002
413.6146 367.8130
414.0967 389.7905
414.5788 415.2769
415.0609 437.1719
415.5431 435.4814
416.0252 394.7607
416.5073 326.1328
416.9894 281.4204
417.4715 282.1001
417.9536 281.6206
418.4358 274.8140
418.9179 265.1558
419.4000 255.0474
419.8821 245.7021
420.3642 239.7124
420.8463 243.2051
421.3285 264.1973
421.8106 272.2881
422.2927 257.3662
422.7748 239.1431
423.2569 225.3296
423.7390 216.6064
424.2212 211.5972
424.7033 212.3584
425.1854 216.1821
425.6675 204.2705
426.1496 165.4746
426.6317 129.6733
427.1139 107.9072
427.5960 95.27344
428.0781 85.55273
428.5602 76.38867
429.0423 70.49023
429.5244 76.53516
430.0066 95.10400
430.4887 98.28760
430.9708 66.20410
431.4529 26.70654
431.9350 10.03027
432.4171 16.82959
432.8993 33.19678
433.3814 64.80713
433.8635 98.49805
434.3456 107.4917
434.8277 86.37500
435.3098 55.61914
435.7920 26.64600
436.2741 1.513672
436.7562 5.892090
437.2383 19.82861
437.7204 49.58447
438.2025 71.01318
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1285.764 0.0000000E+00
