#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:49:19 +0300 (Thu, 24 May 2018) $
#$Revision: 800 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000294.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_1000294
loop_
_publ_author_name
'Keller, P.'
'Lissner, F.'
'Schleid, T.'
_publ_section_title
;
 The crystal structures of zincroselite and gaitite: Two natural
 polymorphs of Ca2Zn[AsO4]2*2H2O from Tsumeb, Namibia Locality: Tsumeb,
 Namibia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              353
_journal_page_last               359
_journal_paper_doi               10.1127/0935-1221/2004/0016-0353
_journal_volume                  16
_journal_year                    2004
_chemical_compound_source        R100192
_chemical_formula_sum            'As2 Ca2 H4 Mg0.14 O10 Zn0.86'
_chemical_name_mineral           Zincroselite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.69
_cell_angle_gamma                90
_cell_length_a                   5.827
_cell_length_b                   12.899
_cell_length_c                   5.646
_cell_volume                     404.301
_exptl_crystal_density_diffrn    3.727
_cod_original_formula_sum        'Ca2 (Zn.86 Mg.14) As2 O10 H4'
_cod_database_code               9005671
_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            R100192.rod
_rod_data_source.block           3500000
_rod_database.code               1000294
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 9005671 COD http://www.crystallography.net/cod/9005671.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
132.0151 0.0000000E+00
132.4972 1.733223
132.9794 3.758999
133.4615 5.855602
133.9436 8.558239
134.4257 11.10843
134.9078 12.08879
135.3899 13.47256
135.8721 12.49637
136.3542 8.961174
136.8363 5.701065
137.3184 3.139431
137.8005 0.7186620
138.2826 1.623264
138.7648 3.248085
139.2469 4.154602
139.7290 4.269592
140.2111 3.195801
140.6932 0.6634600
141.1753 2.614494
141.6575 5.750114
142.1396 8.396446
142.6217 12.08475
143.1038 17.41895
143.5859 24.59252
144.0681 30.88869
144.5502 35.91856
145.0323 40.48244
145.5144 45.79268
145.9965 52.83214
146.4786 58.98906
146.9608 63.24234
147.4429 65.18665
147.9250 67.37462
148.4071 69.24310
148.8892 71.56949
149.3713 75.37541
149.8535 80.84216
150.3356 87.71519
150.8177 95.99641
151.2998 105.8997
151.7819 116.7408
152.2640 128.1066
152.7462 140.4970
153.2283 154.5434
153.7104 171.3223
154.1925 188.9251
154.6746 206.5260
155.1567 222.9622
155.6389 240.8433
156.1210 261.3276
156.6031 283.6129
157.0852 305.9521
157.5673 328.3379
158.0495 350.3467
158.5316 372.1096
159.0137 394.2938
159.4958 415.0194
159.9779 433.7511
160.4600 450.7377
160.9422 466.7902
161.4243 482.2722
161.9064 496.8378
162.3885 510.1369
162.8706 521.4456
163.3527 532.4745
163.8349 543.2682
164.3170 554.1742
164.7991 566.8586
165.2812 581.7796
165.7633 599.0050
166.2454 618.5945
166.7276 640.7840
167.2097 665.1619
167.6918 691.7767
168.1739 720.4141
168.6560 751.3993
169.1381 785.7181
169.6203 821.8214
170.1024 850.9258
170.5845 875.6765
171.0666 901.1849
171.5487 927.6820
172.0309 955.1265
172.5130 985.3279
172.9951 1021.261
173.4772 1060.428
173.9593 1099.090
174.4414 1134.012
174.9236 1168.480
175.4057 1205.570
175.8878 1245.636
176.3699 1286.408
176.8520 1326.925
177.3341 1367.143
177.8163 1407.135
178.2984 1446.233
178.7805 1484.990
179.2626 1525.153
179.7447 1566.299
180.2268 1605.779
180.7090 1640.342
181.1911 1670.581
181.6732 1697.770
182.1553 1722.755
182.6374 1745.050
183.1195 1763.401
183.6017 1778.313
184.0838 1787.977
184.5659 1790.900
185.0480 1787.231
185.5301 1777.583
186.0123 1761.508
186.4944 1739.620
186.9765 1714.061
187.4586 1684.522
187.9407 1651.891
188.4228 1616.836
188.9050 1579.582
189.3871 1540.606
189.8692 1499.251
190.3513 1456.569
190.8334 1414.741
191.3155 1374.437
191.7977 1334.208
192.2798 1292.156
192.7619 1248.317
193.2440 1202.598
193.7261 1153.106
194.2082 1100.546
194.6904 1050.555
195.1725 1003.671
195.6546 958.8724
196.1367 915.8210
196.6188 874.2924
197.1009 834.9595
197.5831 798.3843
198.0652 764.4792
198.5473 732.9045
199.0294 703.6647
199.5115 676.3478
199.9937 650.1851
200.4758 625.4945
200.9579 601.9974
201.4400 579.6268
201.9221 558.2440
202.4042 538.5251
202.8864 520.9104
203.3685 504.6072
203.8506 487.3129
204.3327 468.6796
204.8148 451.3338
205.2969 437.0348
205.7791 426.1181
206.2612 414.6823
206.7433 402.1262
207.2254 389.4177
207.7075 379.1902
208.1896 372.1700
208.6718 364.8105
209.1539 354.3189
209.6360 339.5461
210.1181 328.4848
210.6002 322.8346
211.0823 320.4981
211.5645 315.6003
212.0466 307.7648
212.5287 298.5977
213.0108 288.7071
213.4929 277.7220
213.9750 267.3623
214.4572 257.9092
214.9393 249.0843
215.4214 239.6144
215.9035 228.8301
216.3856 218.6768
216.8678 210.3738
217.3499 204.0745
217.8320 198.7687
218.3141 194.5538
218.7962 191.2594
219.2783 188.3868
219.7605 185.7709
220.2426 183.8649
220.7247 182.9432
221.2068 183.1276
221.6889 183.9530
222.1710 185.5978
222.6532 187.8243
223.1353 189.7642
223.6174 191.2751
224.0995 192.8134
224.5816 194.6962
225.0637 197.3458
225.5459 199.2779
226.0280 199.9400
226.5101 199.9830
226.9922 201.3222
227.4743 204.2750
227.9564 208.0459
228.4386 212.4771
228.9207 217.9668
229.4028 222.8219
229.8849 226.5720
230.3670 229.7807
230.8492 234.2590
231.3313 240.4526
231.8134 247.1432
232.2955 254.0650
232.7776 261.7108
233.2597 268.1528
233.7419 273.2036
234.2240 277.1362
234.7061 280.4643
235.1882 283.1639
235.6703 285.3201
236.1524 287.0732
236.6346 288.7553
237.1167 289.2878
237.5988 288.8219
238.0809 287.1890
238.5630 283.7970
239.0451 277.7233
239.5273 271.2806
240.0094 265.4937
240.4915 260.9639
240.9736 255.3867
241.4557 248.3073
241.9378 240.3360
242.4200 232.9504
242.9021 227.2233
243.3842 220.2711
243.8663 210.7515
244.3484 197.6084
244.8306 184.9734
245.3127 172.9154
245.7948 161.4289
246.2769 150.6533
246.7590 141.1502
247.2411 131.5973
247.7233 121.5692
248.2054 110.9933
248.6875 100.1031
249.1696 88.49561
249.6517 76.94788
250.1338 66.81851
250.6160 58.45786
251.0981 50.87054
251.5802 43.92828
252.0623 37.72504
252.5444 31.48145
253.0265 25.11392
253.5087 18.81509
253.9908 12.93350
254.4729 7.387573
254.9550 2.352081
255.4371 2.157837
255.9192 6.126617
256.4014 9.424652
256.8835 11.81448
257.3656 13.77335
257.8477 16.04141
258.3298 19.11057
258.8120 21.37476
259.2941 22.24588
259.7762 21.62128
260.2583 21.33112
260.7404 21.34930
261.2225 21.73288
261.7047 22.73679
262.1868 24.94418
262.6689 26.21887
263.1510 25.78064
263.6331 23.71103
264.1152 22.65741
264.5974 23.36526
265.0795 23.95242
265.5616 22.49512
266.0437 18.35843
266.5258 14.11252
267.0079 10.12756
267.4901 6.363647
267.9722 2.953003
268.4543 0.1229550
268.9364 2.936829
269.4185 5.422058
269.9006 7.395172
270.3828 9.869873
270.8649 13.10931
271.3470 16.97528
271.8291 20.76929
272.3112 24.30557
272.7933 28.37637
273.2755 33.66577
273.7576 40.34396
274.2397 46.94040
274.7218 53.09167
275.2039 59.08597
275.6860 65.67392
276.1682 72.84918
276.6503 80.90732
277.1324 89.88025
277.6145 99.60928
278.0966 111.4216
278.5787 125.8733
279.0609 141.8836
279.5430 157.5097
280.0251 172.6808
280.5072 187.5385
280.9893 202.7059
281.4715 218.0538
281.9536 231.2356
282.4357 241.9931
282.9178 250.8774
283.3999 259.3203
283.8820 267.4454
284.3642 272.7061
284.8463 273.4801
285.3284 269.9724
285.8105 264.6341
286.2926 257.2513
286.7747 248.6555
287.2569 239.0219
287.7390 228.4540
288.2211 219.9041
288.7032 214.6672
289.1853 212.4562
289.6674 211.6854
290.1496 212.2274
290.6317 214.9753
291.1138 221.7094
291.5959 232.0283
292.0780 242.6704
292.5602 251.8201
293.0423 260.9362
293.5244 274.1181
294.0065 291.4135
294.4886 310.5150
294.9707 330.2560
295.4529 350.4612
295.9350 370.0683
296.4171 389.1453
296.8992 407.4672
297.3813 424.8412
297.8634 441.1109
298.3456 455.3227
298.8277 467.0648
299.3098 476.0620
299.7919 481.4919
300.2740 482.9323
300.7561 481.0699
301.2383 476.3560
301.7204 468.9195
302.2025 459.5596
302.6846 447.9545
303.1667 434.9458
303.6488 421.5974
304.1310 408.2796
304.6131 394.3524
305.0952 378.2170
305.5773 360.9225
306.0594 345.3704
306.5415 333.0869
307.0237 323.2128
307.5058 314.6606
307.9879 307.3494
308.4700 301.6115
308.9521 297.7642
309.4343 295.6360
309.9164 294.8152
310.3985 294.8288
310.8806 296.2838
311.3627 299.3313
311.8448 303.9993
312.3270 311.1606
312.8091 321.6478
313.2912 334.5917
313.7733 349.2269
314.2554 364.8787
314.7375 382.6150
315.2197 402.9373
315.7018 425.9490
316.1839 451.0416
316.6660 477.7173
317.1481 506.8186
317.6302 538.6741
318.1124 573.4417
318.5945 610.9720
319.0766 651.9931
319.5587 695.9907
320.0408 741.8162
320.5229 790.8063
321.0051 840.7399
321.4872 890.4548
321.9693 937.5067
322.4514 986.9249
322.9335 1039.325
323.4156 1094.741
323.8978 1153.264
324.3799 1213.987
324.8620 1278.755
325.3441 1348.627
325.8262 1423.347
326.3083 1501.475
326.7905 1582.738
327.2726 1667.609
327.7547 1755.597
328.2368 1846.100
328.7189 1941.005
329.2010 2040.772
329.6832 2144.413
330.1653 2253.567
330.6474 2371.798
331.1295 2492.907
331.6116 2613.398
332.0938 2734.756
332.5759 2854.056
333.0580 2972.213
333.5401 3088.878
334.0222 3193.809
334.5043 3289.739
334.9865 3371.457
335.4686 3437.926
335.9507 3492.562
336.4328 3522.751
336.9149 3527.393
337.3970 3507.520
337.8792 3466.183
338.3613 3401.569
338.8434 3319.483
339.3255 3219.445
339.8076 3099.132
340.2898 2974.677
340.7719 2843.290
341.2540 2710.850
341.7361 2581.193
342.2182 2456.015
342.7003 2338.408
343.1825 2231.126
343.6646 2132.900
344.1467 2041.827
344.6288 1956.843
345.1109 1880.350
345.5930 1814.177
346.0752 1758.709
346.5573 1709.248
347.0394 1664.364
347.5215 1624.625
348.0036 1590.609
348.4857 1562.429
348.9679 1538.489
349.4500 1519.161
349.9321 1503.029
350.4142 1486.188
350.8963 1467.997
351.3784 1448.848
351.8606 1430.665
352.3427 1412.663
352.8248 1391.405
353.3069 1364.590
353.7890 1333.779
354.2711 1300.723
354.7533 1265.788
355.2354 1227.925
355.7175 1186.634
356.1996 1142.118
356.6817 1094.722
357.1638 1042.560
357.6460 989.0942
358.1281 936.3881
358.6102 884.6089
359.0923 832.2190
359.5744 777.3349
360.0565 722.4172
360.5387 669.8382
361.0208 620.4039
361.5029 573.0429
361.9850 527.7208
362.4671 484.3533
362.9492 443.3192
363.4314 404.3039
363.9135 367.9784
364.3956 334.9408
364.8777 305.9559
365.3598 278.3122
365.8419 250.5453
366.3241 223.9548
366.8062 200.6921
367.2883 183.2762
367.7704 167.0637
368.2526 150.7006
368.7347 133.8024
369.2168 118.5141
369.6989 104.9054
370.1810 92.79138
370.6631 81.90448
371.1453 72.56976
371.6274 63.98077
372.1095 56.13025
372.5916 48.91827
373.0737 41.90265
373.5558 34.77979
374.0380 28.21124
374.5201 22.53162
375.0022 17.98779
375.4843 13.64923
375.9664 9.311340
376.4485 5.321411
376.9307 2.651733
377.4128 1.838562
377.8949 0.1388550
378.3770 4.077942
378.8591 10.60291
379.3412 15.63123
379.8234 19.08167
380.3055 21.17981
380.7876 21.51318
381.2697 20.21423
381.7518 19.65424
382.2339 20.88739
382.7161 22.91449
383.1982 23.32275
383.6803 22.14545
384.1624 20.54218
384.6445 19.37598
385.1266 18.44177
385.6088 17.27979
386.0909 15.87299
386.5730 14.06714
387.0551 11.51233
387.5372 8.401062
388.0193 5.239319
388.5015 3.034424
388.9836 0.5440670
389.4657 3.997437
389.9478 10.74451
390.4299 17.38403
390.9120 22.23993
391.3942 26.11517
391.8763 29.91547
392.3584 32.90454
392.8405 36.90662
393.3226 42.90771
393.8047 50.74561
394.2869 59.67664
394.7690 70.45569
395.2511 81.52966
395.7332 91.79669
396.2154 100.2536
396.6975 109.6144
397.1796 120.7739
397.6617 133.2501
398.1438 146.1057
398.6259 160.4543
399.1081 174.0724
399.5902 186.1603
400.0723 196.5057
400.5544 206.8876
401.0365 218.2483
401.5186 228.9577
402.0008 237.6117
402.4829 244.0972
402.9650 248.8254
403.4471 251.7908
403.9292 253.0236
404.4113 252.4261
404.8935 249.3916
405.3756 245.9208
405.8577 243.0994
406.3398 241.1136
406.8219 238.4598
407.3040 234.7164
407.7862 231.0980
408.2683 228.9885
408.7504 228.3798
409.2325 229.8272
409.7146 233.9049
410.1967 240.0975
410.6789 247.0226
411.1610 254.6928
411.6431 263.0371
412.1252 271.9940
412.6073 281.5327
413.0894 291.6090
413.5716 302.1649
414.0537 312.9047
414.5358 323.5192
415.0179 333.9091
415.5000 344.1073
415.9821 353.9619
416.4643 363.5726
416.9464 373.2940
417.4285 383.1566
417.9106 392.0071
418.3927 398.2428
418.8748 403.3265
419.3570 408.8992
419.8391 416.9559
420.3212 424.2682
420.8033 429.6832
421.2854 433.2856
421.7675 435.6156
422.2497 435.9034
422.7318 435.6895
423.2139 435.9612
423.6960 437.7635
424.1781 438.0524
424.6602 436.7017
425.1424 433.6013
425.6245 428.6422
426.1066 422.8763
426.5887 414.0335
427.0709 400.8923
427.5530 383.4490
428.0351 366.8423
428.5172 351.7748
428.9993 336.2791
429.4814 318.6354
429.9636 298.1339
430.4457 278.2341
430.9278 259.3936
431.4099 241.1246
431.8920 221.9749
432.3741 201.4555
432.8563 182.4802
433.3384 166.4374
433.8205 153.0455
434.3026 141.1412
434.7847 130.7383
435.2668 121.1879
435.7490 111.6127
436.2311 102.0728
436.7132 93.53082
437.1953 86.48822
437.6774 80.45953
438.1595 74.62939
438.6417 69.20209
439.1238 64.71149
439.6059 61.67926
440.0880 59.43579
440.5701 57.42157
441.0522 55.69458
441.5344 54.15167
442.0165 52.16669
442.4986 50.46252
442.9807 49.95612
443.4628 51.57837
443.9449 53.87927
444.4271 56.17017
444.9092 58.62891
445.3913 62.16168
445.8734 67.63306
446.3555 73.61047
446.8376 79.44208
447.3198 85.22168
447.8019 90.46259
448.2840 95.00439
448.7661 99.09036
449.2482 103.0515
449.7303 106.9116
450.2125 110.5082
450.6946 113.9472
451.1767 117.2797
451.6588 120.1257
452.1409 122.7165
452.6230 124.1077
453.1052 123.3200
453.5873 120.2260
454.0694 117.3842
454.5515 115.0920
455.0337 112.8571
455.5158 109.4486
455.9979 104.9888
456.4800 101.9077
456.9621 101.6028
457.4442 103.1932
457.9264 104.3568
458.4085 105.1681
458.8906 107.2937
459.3727 112.2840
459.8548 119.3314
460.3369 127.3907
460.8191 136.8905
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