#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:59:13 +0300 (Thu, 26 Apr 2018) $
#$Revision: 573 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000117.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_1000117
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 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            R100192.rod
_rod_data_source.block           3500000
_rod_database.code               1000117
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
130.1390 0.0000000E+00
130.6211 2.251740
131.1032 4.483551
131.5854 5.932007
132.0675 3.790131
132.5496 0.8425600
133.0317 0.7606810
133.5138 1.220154
133.9959 1.089966
134.4781 0.2977290
134.9602 0.9183960
135.4423 1.974121
135.9244 3.431580
136.4065 6.100281
136.8886 10.59344
137.3708 16.78888
137.8529 22.63226
138.3350 27.53381
138.8171 32.64240
139.2992 38.24500
139.7813 44.28235
140.2635 50.74640
140.7456 57.80096
141.2277 65.76990
141.7098 70.93530
142.1919 71.36829
142.6740 71.23016
143.1561 72.70386
143.6383 75.94067
144.1204 79.76282
144.6025 82.91431
145.0846 85.20801
145.5667 88.32971
146.0488 92.60492
146.5310 97.60950
147.0131 102.9177
147.4952 108.4678
147.9773 114.3139
148.4594 120.5557
148.9415 127.1340
149.4237 134.3429
149.9058 142.1498
150.3879 150.6543
150.8700 160.0432
151.3521 170.6189
151.8342 181.9542
152.3164 193.6946
152.7985 205.7797
153.2806 218.1988
153.7627 230.5939
154.2448 242.9576
154.7269 256.5574
155.2091 271.8903
155.6912 288.3600
156.1733 305.6414
156.6554 323.7866
157.1375 342.9307
157.6196 363.8177
158.1018 387.8078
158.5839 409.4214
159.0660 428.4464
159.5481 445.3650
160.0302 460.3224
160.5123 473.3630
160.9945 484.4246
161.4766 493.4038
161.9587 501.0848
162.4408 504.9510
162.9229 503.1001
163.4050 498.7117
163.8871 494.2570
164.3693 490.6838
164.8514 488.0032
165.3335 486.2911
165.8156 485.2233
166.2977 485.5935
166.7798 487.4609
167.2620 490.8201
167.7441 495.5187
168.2262 501.3588
168.7083 508.8064
169.1904 519.3242
169.6725 533.4045
170.1547 548.6666
170.6368 564.5804
171.1189 581.0034
171.6010 597.3263
172.0831 612.8860
172.5652 628.5411
173.0474 646.0961
173.5295 666.0965
174.0116 686.8453
174.4937 707.3476
174.9758 727.6503
175.4579 747.0752
175.9401 764.2924
176.4222 781.0924
176.9043 799.3067
177.3864 819.5422
177.8685 840.5980
178.3506 861.1813
178.8328 881.2838
179.3149 901.0546
179.7970 921.1230
180.2791 940.7441
180.7612 959.1190
181.2433 976.1032
181.7255 991.6956
182.2076 1006.193
182.6897 1020.765
183.1718 1031.587
183.6539 1038.378
184.1360 1041.669
184.6181 1041.769
185.1003 1038.788
185.5824 1032.977
186.0645 1025.287
186.5466 1015.257
187.0287 1003.489
187.5108 990.6222
187.9930 975.8646
188.4751 958.5013
188.9572 938.0322
189.4393 914.8709
189.9214 891.4012
190.4035 869.6324
190.8857 845.4570
191.3678 818.5726
191.8499 788.9210
192.3320 756.2029
192.8141 719.9726
193.2962 680.4893
193.7784 639.5319
194.2605 595.1618
194.7426 551.9581
195.2247 510.9699
195.7068 472.1545
196.1889 435.0179
196.6711 399.1298
197.1532 364.9050
197.6353 333.4927
198.1174 304.0206
198.5995 277.6173
199.0816 255.3946
199.5638 236.9134
200.0459 219.9420
200.5280 203.1476
201.0101 187.1282
201.4922 173.2122
201.9743 161.7048
202.4565 151.6573
202.9386 142.6594
203.4207 134.7787
203.9028 127.3802
204.3849 119.9990
204.8670 112.9275
205.3492 106.8009
205.8313 102.1461
206.3134 98.09027
206.7955 93.66791
207.2776 88.82867
207.7597 83.89319
208.2419 78.71545
208.7240 73.61102
209.2061 68.96976
209.6882 64.95804
210.1703 61.36130
210.6524 57.82913
211.1346 54.38580
211.6167 51.00714
212.0988 47.79199
212.5809 44.60092
213.0630 41.32428
213.5451 37.96841
214.0273 34.39621
214.5094 30.09882
214.9915 23.91644
215.4736 19.22113
215.9557 17.57550
216.4378 17.05450
216.9200 15.60971
217.4021 12.31647
217.8842 7.996185
218.3663 4.978485
218.8484 3.894623
219.3305 3.391235
219.8127 3.848297
220.2948 4.525940
220.7769 4.596619
221.2590 3.683319
221.7411 2.134918
222.2232 0.9743350
222.7054 0.2400210
223.1875 7.0343003E-02
223.6696 0.2563480
224.1517 0.9248350
224.6338 1.654388
225.1159 2.322357
225.5980 2.902222
226.0802 3.311798
226.5623 3.176300
227.0444 3.318848
227.5265 4.174408
228.0086 5.235413
228.4907 5.716827
228.9729 5.254517
229.4550 4.352325
229.9371 4.359070
230.4192 5.769958
230.9013 7.239014
231.3834 8.394470
231.8656 9.525055
232.3477 11.12314
232.8298 13.41913
233.3119 16.09113
233.7940 18.50171
234.2761 20.74518
234.7583 22.60297
235.2404 23.67212
235.7225 24.36639
236.2046 25.43369
236.6867 27.16245
237.1688 29.25403
237.6510 31.30661
238.1331 33.38629
238.6152 35.16061
239.0973 36.20612
239.5794 36.88437
240.0615 38.14566
240.5437 40.56931
241.0258 42.95789
241.5079 43.64087
241.9900 42.70584
242.4721 41.35229
242.9542 40.31570
243.4364 39.24579
243.9185 37.04160
244.4006 33.01059
244.8827 28.69461
245.3648 25.80377
245.8469 24.15033
246.3290 22.44293
246.8112 20.15540
247.2933 17.35251
247.7754 14.05536
248.2575 9.954254
248.7396 5.898621
249.2217 2.325806
249.7039 0.7456670
250.1860 3.116180
250.6681 4.177551
251.1502 4.360992
251.6323 5.410461
252.1144 7.974274
252.5966 10.45773
253.0787 12.03198
253.5608 12.84622
254.0429 13.22092
254.5250 13.18387
255.0071 12.83426
255.4893 12.59998
255.9714 12.70792
256.4535 12.53412
256.9356 11.49750
257.4177 10.08377
257.8998 9.161896
258.3820 9.488800
258.8641 10.52209
259.3462 10.23517
259.8283 7.739349
260.3104 5.330566
260.7925 4.053406
261.2747 3.214142
261.7568 1.977539
262.2389 2.1240000E-02
262.7210 2.777496
263.2031 6.479370
263.6852 12.13736
264.1674 16.99063
264.6495 19.58014
265.1316 21.48520
265.6137 24.58694
266.0958 29.76181
266.5779 35.89447
267.0601 40.24091
267.5422 41.68463
268.0243 43.22882
268.5064 44.72498
268.9885 46.79877
269.4706 50.16220
269.9528 55.03867
270.4349 60.80377
270.9170 66.27783
271.3991 71.13446
271.8812 76.28857
272.3633 81.25674
272.8455 86.80737
273.3276 93.50504
273.8097 101.4940
274.2918 110.4911
274.7739 120.1038
275.2560 130.4216
275.7382 141.2692
276.2202 152.5159
276.7024 164.2696
277.1845 176.5154
277.6666 189.3501
278.1487 203.0319
278.6308 218.0566
279.1129 235.0057
279.5951 251.1428
280.0772 265.5080
280.5593 280.0546
281.0414 296.5280
281.5235 314.4794
282.0056 331.8086
282.4878 346.4497
282.9699 358.2123
283.4520 369.0411
283.9341 380.4564
284.4162 389.7401
284.8983 395.2633
285.3805 397.6330
285.8626 398.3548
286.3447 398.3438
286.8268 397.6351
287.3089 398.6310
287.7910 402.4322
288.2732 406.6171
288.7553 409.7920
289.2374 412.8819
289.7195 417.5580
290.2016 424.8078
290.6837 434.4482
291.1659 445.9028
291.6480 460.0862
292.1301 474.9062
292.6122 490.0659
293.0943 505.6561
293.5764 521.7875
294.0586 538.5867
294.5407 556.0122
295.0228 574.0474
295.5049 594.7777
295.9870 613.5328
296.4691 629.9355
296.9513 644.3779
297.4334 658.0021
297.9155 671.0081
298.3976 681.5046
298.8797 686.3422
299.3618 684.5675
299.8440 677.3968
300.3261 663.9629
300.8082 645.9190
301.2903 623.4849
301.7724 597.1488
302.2545 568.7127
302.7367 540.0600
303.2188 511.4073
303.7009 481.7756
304.1830 448.6515
304.6651 416.5162
305.1472 387.8573
305.6294 362.8439
306.1115 340.6158
306.5936 320.6304
307.0757 302.8918
307.5578 286.0529
308.0399 269.6302
308.5221 254.4275
309.0042 241.0376
309.4863 229.1542
309.9684 218.2349
310.4505 208.0537
310.9326 198.6436
311.4148 190.2583
311.8969 182.6063
312.3790 176.1552
312.8611 171.1523
313.3432 167.4275
313.8253 164.7434
314.3075 163.0564
314.7896 162.2736
315.2717 162.0781
315.7538 162.5503
316.2359 163.3647
316.7180 164.4480
317.2001 165.9859
317.6823 168.2604
318.1644 171.2657
318.6465 174.6893
319.1286 178.1510
319.6107 181.2834
320.0928 185.5597
320.5750 191.4903
321.0571 198.1288
321.5392 204.9614
322.0213 211.7697
322.5034 218.4183
322.9855 224.6441
323.4677 230.3445
323.9498 236.4865
324.4319 242.8669
324.9140 249.8394
325.3961 257.5721
325.8782 265.9679
326.3604 274.9883
326.8425 284.7105
327.3246 295.1228
327.8067 305.8218
328.2888 316.0340
328.7709 327.3676
329.2531 340.8674
329.7352 355.6286
330.2173 370.0953
330.6994 383.5014
331.1815 396.4144
331.6636 410.4922
332.1458 426.8861
332.6279 443.0833
333.1100 459.6625
333.5921 475.6050
334.0742 489.9301
334.5563 502.2745
335.0385 513.2874
335.5206 524.0084
336.0027 535.8528
336.4848 543.1954
336.9669 544.8309
337.4490 543.5362
337.9312 541.0198
338.4133 537.4017
338.8954 531.8363
339.3775 523.3800
339.8596 511.7785
340.3417 500.1585
340.8239 488.3040
341.3060 476.6764
341.7881 464.8449
342.2702 453.3640
342.7523 443.3107
343.2344 435.3766
343.7166 429.4117
344.1987 424.7918
344.6808 422.1967
345.1629 420.3287
345.6450 419.0048
346.1271 418.4087
346.6093 418.8140
347.0914 420.3054
347.5735 422.6864
348.0556 425.6712
348.5377 430.1353
349.0198 433.6086
349.5020 435.5150
349.9841 437.0199
350.4662 439.1759
350.9483 441.9150
351.4304 444.1806
351.9125 444.8385
352.3947 443.7948
352.8768 441.7502
353.3589 439.7620
353.8410 435.7603
354.3231 428.7270
354.8052 419.0863
355.2874 407.6876
355.7695 395.0487
356.2516 381.2488
356.7337 366.4102
357.2158 350.1100
357.6979 333.2169
358.1800 315.9491
358.6621 298.1801
359.1443 279.5958
359.6264 259.9873
360.1085 240.2646
360.5906 221.9108
361.0727 205.2421
361.5548 189.1585
362.0370 173.2917
362.5191 158.1504
363.0012 144.1969
363.4833 131.3143
363.9654 119.1873
364.4475 107.3315
364.9297 95.69086
365.4118 85.25729
365.8939 76.43842
366.3760 68.52286
366.8581 61.22519
367.3402 54.60428
367.8224 48.90723
368.3045 44.61160
368.7866 41.11606
369.2687 36.38608
369.7508 29.46072
370.2329 23.48694
370.7151 19.89417
371.1972 17.50250
371.6793 15.29776
372.1614 13.05759
372.6435 10.65768
373.1256 7.901337
373.6078 4.769104
374.0899 1.632019
374.5720 1.811127
375.0541 4.861511
375.5362 6.969116
376.0183 8.183868
376.5005 9.013947
376.9826 9.764893
377.4647 10.40244
377.9468 10.78415
378.4289 10.84638
378.9110 10.77881
379.3932 10.80267
379.8753 10.79288
380.3574 10.45959
380.8395 9.557617
381.3216 8.436401
381.8037 7.659088
382.2859 7.240570
382.7680 6.344086
383.2501 4.197906
383.7322 1.624908
384.2143 3.5216998E-02
384.6964 0.5345150
385.1786 0.9013370
385.6607 1.518250
386.1428 2.442993
386.6249 3.999817
387.1070 6.476074
387.5891 8.992401
388.0713 10.36548
388.5534 10.71368
389.0355 11.16840
389.5176 12.23993
389.9997 13.34634
390.4818 13.68271
390.9640 13.27634
391.4461 13.12137
391.9282 13.81183
392.4103 15.36163
392.8924 17.54428
393.3745 20.35846
393.8567 23.73642
394.3388 27.85849
394.8209 32.49976
395.3030 37.10461
395.7851 41.47104
396.2672 45.93893
396.7494 51.17920
397.2315 57.37259
397.7136 63.94116
398.1957 71.63190
398.6778 79.22498
399.1599 85.34451
399.6420 90.09421
400.1241 95.07608
400.6063 101.8588
401.0884 110.5609
401.5705 117.7847
402.0526 122.6023
402.5347 127.2162
403.0168 132.2102
403.4990 137.4752
403.9811 142.8159
404.4632 148.1292
404.9453 153.2747
405.4274 157.8598
405.9095 161.4526
406.3917 165.1566
406.8738 168.6326
407.3559 172.4712
407.8380 177.2470
408.3201 182.9282
408.8022 188.9363
409.2844 194.7325
409.7665 200.2580
410.2486 206.1388
410.7307 212.3784
411.2128 218.9948
411.6949 226.1357
412.1771 233.6134
412.6592 241.2673
413.1413 249.1030
413.6234 256.7775
414.1055 263.5406
414.5876 269.3136
415.0698 274.4872
415.5519 279.3339
416.0340 283.4638
416.5161 286.5910
416.9982 288.6853
417.4803 289.7686
417.9625 289.8431
418.4446 288.9265
418.9267 287.2062
419.4088 285.0555
419.8909 281.3885
420.3730 274.9156
420.8552 266.6010
421.3373 258.3538
421.8194 250.8136
422.3015 243.6212
422.7836 236.4359
423.2657 229.2700
423.7479 221.9770
424.2300 214.4102
424.7121 206.7824
425.1942 199.4501
425.6763 192.5569
426.1584 185.3467
426.6406 176.9995
427.1227 168.2520
427.6048 160.5151
428.0869 154.0090
428.5690 147.9069
429.0511 141.4544
429.5333 134.6605
430.0154 128.3957
430.4975 122.9149
430.9796 117.7137
431.4617 112.4112
431.9438 107.1805
432.4260 102.2585
432.9081 97.70612
433.3902 93.77417
433.8723 91.14627
434.3544 91.41623
434.8365 90.39343
435.3187 86.40652
435.8008 82.11969
436.2829 80.08102
436.7650 80.34286
437.2471 80.94006
437.7292 79.87854
438.2114 77.03400
438.6935 75.42197
439.1756 76.08545
439.6577 76.94083
440.1398 77.39554
440.6219 77.77841
441.1040 78.68835
441.5862 80.41177
442.0683 82.64581
442.5504 84.62964
443.0325 85.94827
443.5146 87.84418
443.9967 90.73413
444.4789 94.13873
444.9610 97.80740
445.4431 101.6456
445.9252 105.7038
446.4073 110.0177
446.8894 114.6965
447.3716 120.0303
447.8537 126.4355
448.3358 132.3514
448.8179 137.6067
449.3000 141.7094
449.7821 143.9175
450.2643 143.9622
450.7464 142.9857
451.2285 142.1869
451.7106 141.2875
452.1927 138.8724
452.6748 134.6388
453.1570 128.8124
453.6391 120.9221
454.1212 111.4073
454.6033 102.0435
455.0854 93.25528
455.5675 84.86420
456.0497 76.44620
456.5318 68.09720
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