#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 12:48:15 +0300 (Thu, 26 Apr 2018) $
#$Revision: 443 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000023.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_1000023
loop_
_publ_author_name
'Ghose, S.'
'Sen Gupta, P. K.'
'Schlemper, E. O.'
_publ_section_title
;
 Leiteite, ZnAs2O4: A novel type of tetrahedral layer structure with
 arsenite chains
;
_journal_name_full               'American Mineralogist'
_journal_page_first              629
_journal_page_last               632
_journal_volume                  72
_journal_year                    1987
_chemical_compound_source        R040011
_chemical_formula_sum            'As2 O4 Zn'
_chemical_name_mineral           Leiteite
_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                 90.81
_cell_angle_gamma                90
_cell_length_a                   4.542
_cell_length_b                   5.022
_cell_length_c                   17.597
_cell_volume                     401.346
_exptl_crystal_density_diffrn    4.621
_cod_original_formula_sum        'As2 Zn O4'
_cod_database_code               9001071
_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            R040011.rod
_rod_data_source.block           3500000
_rod_database.code               1000023
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 9001071 COD http://www.crystallography.net/cod/9001071.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
118.6159 0.0000000E+00
119.0980 0.5897520
119.5801 2.591492
120.0622 10.47058
120.5444 21.16483
121.0265 31.98538
121.5086 41.99255
121.9907 57.85754
122.4728 82.93854
122.9549 115.1573
123.4371 151.0461
123.9192 194.6564
124.4013 234.4687
124.8834 261.9341
125.3655 277.3268
125.8476 278.6494
126.3298 259.3422
126.8119 217.6733
127.2940 177.6169
127.7761 142.9724
128.2582 113.7074
128.7403 91.21725
129.2225 75.86411
129.7046 64.87170
130.1867 53.38541
130.6688 40.09232
131.1509 28.95920
131.6330 19.85629
132.1152 12.96048
132.5973 8.380280
133.0794 6.147186
133.5615 6.474091
134.0436 10.74060
134.5257 22.25714
135.0079 34.33115
135.4900 45.89816
135.9721 57.48309
136.4542 70.31705
136.9363 85.38184
137.4184 102.5003
137.9006 118.1650
138.3827 131.2345
138.8648 144.3564
139.3469 158.0388
139.8290 172.5319
140.3111 189.0471
140.7933 208.5675
141.2754 231.3525
141.7575 256.3135
142.2396 282.5070
142.7217 311.2803
143.2038 343.2417
143.6860 378.1155
144.1681 418.1529
144.6502 467.1444
145.1323 522.5071
145.6144 581.3707
146.0965 651.2519
146.5787 724.3945
147.0608 782.9181
147.5429 826.1049
148.0250 849.4346
148.5071 855.8376
148.9892 843.8257
149.4714 811.6101
149.9535 751.8973
150.4356 662.6907
150.9177 573.0032
151.3998 474.5473
151.8819 383.2413
152.3641 303.3011
152.8462 235.8957
153.3283 181.1932
153.8104 139.6877
154.2925 114.3916
154.7746 95.93011
155.2568 86.33524
155.7389 80.40491
156.2210 75.18268
156.7031 69.98633
157.1852 65.87875
157.6673 64.62540
158.1495 68.45438
158.6316 71.69205
159.1137 73.16806
159.5958 74.58362
160.0779 77.83145
160.5600 83.60931
161.0422 90.83862
161.5243 97.40494
162.0064 103.1637
162.4885 108.7459
162.9706 113.3100
163.4527 117.8282
163.9349 124.2923
164.4170 133.6762
164.8991 145.1931
165.3812 157.8593
165.8633 172.9244
166.3454 185.8601
166.8276 196.3312
167.3097 203.6635
167.7918 202.6396
168.2739 188.4331
168.7560 165.8953
169.2381 140.5749
169.7203 112.0394
170.2024 83.84677
170.6845 59.13797
171.1666 38.10788
171.6487 20.06140
172.1308 5.181152
172.6130 6.871643
173.0951 15.75342
173.5772 21.23468
174.0593 24.18909
174.5414 26.00632
175.0235 26.39505
175.5057 26.17001
175.9878 25.99240
176.4699 25.44974
176.9520 23.56747
177.4341 19.97885
177.9162 15.08737
178.3984 9.899567
178.8805 2.961273
179.3626 2.226105
179.8447 4.725250
180.3268 5.487122
180.8089 5.167175
181.2911 3.969330
181.7732 2.560852
182.2553 4.922241
182.7374 13.33887
183.2195 22.99466
183.7016 33.22198
184.1838 44.06912
184.6659 56.14679
185.1480 70.21454
185.6301 85.77271
186.1122 97.39774
186.5943 102.9422
187.0764 107.7197
187.5586 113.5998
188.0407 120.3807
188.5228 127.3540
189.0049 134.4702
189.4870 141.1888
189.9691 145.3667
190.4513 146.9371
190.9334 146.2402
191.4155 142.3727
191.8976 135.5860
192.3797 128.9192
192.8618 122.8816
193.3440 118.9779
193.8261 120.5372
194.3082 127.2349
194.7903 140.0565
195.2724 159.8307
195.7545 186.4494
196.2367 220.2557
196.7188 264.0891
197.2009 315.0808
197.6830 371.2470
198.1651 434.7272
198.6472 501.1053
199.1294 565.7076
199.6115 632.7869
200.0936 685.9525
200.5757 715.7918
201.0578 729.5611
201.5399 733.7072
202.0221 727.3583
202.5042 715.9276
202.9863 715.6977
203.4684 731.9318
203.9505 751.7237
204.4326 770.5560
204.9148 789.7416
205.3969 811.4664
205.8790 837.4962
206.3611 866.7406
206.8432 893.9673
207.3253 914.8839
207.8075 939.1326
208.2896 968.0477
208.7717 1001.535
209.2538 1039.304
209.7359 1080.844
210.2180 1126.513
210.7002 1178.134
211.1823 1232.097
211.6644 1296.623
212.1465 1371.144
212.6286 1457.704
213.1107 1558.087
213.5929 1672.752
214.0750 1802.767
214.5571 1961.149
215.0392 2147.707
215.5213 2360.050
216.0034 2629.144
216.4856 2925.133
216.9677 3195.745
217.4498 3418.278
217.9319 3584.346
218.4140 3584.961
218.8961 3380.439
219.3783 3095.366
219.8604 2737.839
220.3425 2330.893
220.8246 1925.564
221.3067 1544.301
221.7888 1195.476
222.2710 907.2319
222.7531 685.4940
223.2352 509.4411
223.7173 377.0553
224.1994 284.5771
224.6815 215.4153
225.1637 163.5619
225.6458 128.3412
226.1279 99.32715
226.6100 78.11441
227.0921 61.28607
227.5742 46.98721
228.0564 35.27316
228.5385 26.20328
229.0206 20.73126
229.5027 17.84802
229.9848 14.91638
230.4669 10.41214
230.9491 6.547638
231.4312 5.359467
231.9133 6.988373
232.3954 10.42319
232.8775 15.55554
233.3596 22.38574
233.8418 30.89093
234.3239 41.52136
234.8060 53.23526
235.2881 65.44940
235.7702 78.37228
236.2523 90.58936
236.7345 102.3952
237.2166 112.5961
237.6987 119.2998
238.1808 121.7005
238.6629 122.4853
239.1451 124.7220
239.6272 128.5637
240.1093 132.9369
240.5914 136.9832
241.0735 141.7187
241.5556 147.9339
242.0378 155.8463
242.5199 165.0050
243.0020 174.8139
243.4841 184.9614
243.9662 196.8250
244.4483 211.8261
244.9305 227.8542
245.4126 243.5164
245.8947 258.5159
246.3768 273.9383
246.8589 291.3499
247.3410 311.2230
247.8231 331.6371
248.3053 351.8020
248.7874 372.9249
249.2695 396.1489
249.7516 421.5211
250.2337 447.8633
250.7158 473.1096
251.1980 495.3855
251.6801 521.9926
252.1622 552.6335
252.6443 587.2725
253.1264 627.3165
253.6085 672.3006
254.0907 719.8759
254.5728 768.3787
255.0549 822.6982
255.5370 862.4599
256.0191 893.9756
256.5013 909.1069
256.9834 898.0493
257.4655 863.1998
257.9476 817.3044
258.4297 773.3945
258.9118 730.9030
259.3940 692.6567
259.8761 663.2109
260.3582 633.3319
260.8403 597.4426
261.3224 556.1400
261.8045 513.5101
262.2867 472.8916
262.7688 434.2140
263.2509 399.4866
263.7330 366.9886
264.2151 339.2730
264.6972 317.4710
265.1794 301.5676
265.6615 290.8939
266.1436 285.4992
266.6257 285.5984
267.1078 285.2198
267.5899 286.3315
268.0721 285.1647
268.5542 281.0673
269.0363 273.6211
269.5184 261.5079
270.0005 243.3889
270.4826 219.5910
270.9648 196.6147
271.4469 172.7435
271.9290 151.2191
272.4111 133.7412
272.8932 119.6812
273.3753 107.2574
273.8575 95.53557
274.3396 84.66272
274.8217 75.39093
275.3038 68.98798
275.7859 62.43460
276.2680 53.85791
276.7502 44.48685
277.2323 36.87730
277.7144 32.35234
278.1965 30.10542
278.6786 27.91702
279.1607 25.77678
279.6428 23.70618
280.1249 21.33324
280.6071 19.07460
281.0892 17.89090
281.5713 18.27298
282.0534 19.32440
282.5355 19.22914
283.0176 17.54828
283.4998 16.50920
283.9819 16.95039
284.4640 18.30801
284.9461 19.78441
285.4282 21.18829
285.9103 22.54903
286.3925 23.95619
286.8746 25.45169
287.3567 26.74913
287.8388 27.37976
288.3209 27.94386
288.8030 29.47354
289.2852 32.26350
289.7673 35.03220
290.2494 36.18608
290.7315 35.82794
291.2136 35.77385
291.6957 36.13351
292.1779 37.01073
292.6600 38.64182
293.1421 41.05740
293.6242 43.81001
294.1063 46.93594
294.5884 50.16205
295.0706 52.13794
295.5527 51.65323
296.0348 50.60960
296.5169 50.59315
296.9990 51.61472
297.4811 53.05084
297.9633 54.69106
298.4454 56.43047
298.9275 57.99687
299.4096 59.76164
299.8917 60.92216
300.3738 60.53749
300.8560 58.82057
301.3381 57.35126
301.8202 57.08331
302.3023 57.28815
302.7844 56.52028
303.2665 54.63965
303.7487 52.19304
304.2308 49.09969
304.7129 45.61737
305.1950 42.73296
305.6771 41.03851
306.1592 39.68230
306.6414 37.60611
307.1235 34.89433
307.6056 31.26172
308.0877 25.54744
308.5698 18.86197
309.0519 13.90491
309.5341 11.55923
310.0162 10.21710
310.4983 8.060516
310.9804 5.222260
311.4625 2.842361
311.9446 1.361649
312.4268 0.5282140
312.9089 7.2052002E-02
313.3910 3.6423001E-02
313.8731 1.5945001E-02
314.3552 0.5992580
314.8373 1.524979
315.3195 2.182434
315.8016 2.098114
316.2837 1.900482
316.7658 2.411026
317.2479 3.667847
317.7300 4.792862
318.2122 5.313980
318.6943 5.282761
319.1764 4.871124
319.6585 3.706696
320.1406 2.644669
320.6227 2.436005
321.1049 2.979858
321.5870 3.551788
322.0691 3.833801
322.5512 3.980530
323.0333 4.388016
323.5154 5.275986
323.9976 5.732849
324.4797 4.725113
324.9618 2.827484
325.4439 1.895798
325.9260 2.663620
326.4081 4.136734
326.8903 5.191498
327.3724 5.872406
327.8545 6.041290
328.3366 5.085495
328.8187 3.736786
329.3008 3.474197
329.7830 4.764023
330.2651 5.963120
330.7472 5.074097
331.2293 2.522079
331.7114 0.6043090
332.1935 6.8832003E-02
332.6757 0.1546330
333.1578 0.1621550
333.6399 5.3344999E-02
334.1220 0.1531980
334.6041 0.4866490
335.0862 0.9032140
335.5684 1.231964
336.0505 1.388260
336.5326 1.518372
337.0147 1.770615
337.4968 2.139008
337.9789 2.371002
338.4611 2.066223
338.9432 1.749359
339.4253 2.710373
339.9074 5.356110
340.3895 8.102295
340.8716 10.72438
341.3538 12.93991
341.8359 13.82361
342.3180 12.78741
342.8001 11.59480
343.2822 13.10625
343.7643 17.52682
344.2465 21.55260
344.7286 23.88570
345.2107 25.87135
345.6928 28.99724
346.1749 33.48305
346.6570 38.69684
347.1392 44.18211
347.6213 49.96851
348.1034 55.63168
348.5855 61.39709
349.0676 66.87866
349.5497 71.93452
350.0319 76.54506
350.5140 80.59534
350.9961 83.98213
351.4782 86.79572
351.9603 89.45355
352.4424 91.81140
352.9246 94.22644
353.4067 96.87399
353.8888 99.65811
354.3709 102.2221
354.8530 104.3581
355.3351 106.6641
355.8173 110.3473
356.2994 115.9600
356.7815 121.7360
357.2636 127.9378
357.7457 134.0158
358.2278 139.3478
358.7100 143.8497
359.1921 148.0237
359.6742 152.3107
360.1563 156.7141
360.6384 161.3495
361.1205 166.3839
361.6027 171.4680
362.0848 176.2336
362.5669 180.8357
363.0490 185.9737
363.5311 192.2230
364.0132 199.3292
364.4954 205.0717
364.9775 208.6043
365.4596 211.8559
365.9417 216.4414
366.4238 220.5411
366.9059 221.6310
367.3881 218.6978
367.8702 212.7519
368.3523 205.7988
368.8344 197.6585
369.3165 188.5693
369.7986 176.9036
370.2808 165.4833
370.7629 156.5586
371.2450 150.3292
371.7271 145.2830
372.2092 139.6566
372.6913 132.9700
373.1735 128.5545
373.6556 126.0325
374.1377 126.0930
374.6198 129.9431
375.1019 136.5044
375.5840 144.1032
376.0662 151.9742
376.5483 159.6117
377.0304 164.3018
377.5125 165.5781
377.9946 164.2549
378.4767 160.8020
378.9589 154.7922
379.4410 145.3148
379.9231 132.1906
380.4052 117.1094
380.8873 102.1761
381.3694 86.95882
381.8516 73.38428
382.3337 61.60100
382.8158 51.70041
383.2979 44.21420
383.7800 38.71204
384.2621 33.92874
384.7443 28.89951
385.2264 23.71797
385.7085 19.07812
386.1906 14.97932
386.6727 11.71136
387.1548 9.567947
387.6370 7.987701
388.1191 6.280823
388.6012 4.237778
389.0833 2.240036
389.5654 0.7427370
390.0475 0.2956850
390.5297 1.164185
391.0118 1.932922
391.4939 2.541321
391.9760 2.935760
392.4581 3.102692
392.9402 3.051788
393.4224 2.487823
393.9045 1.599274
394.3866 1.677246
394.8687 3.568634
395.3508 5.315125
395.8329 4.956940
396.3151 3.125336
396.7972 1.800476
397.2793 2.166565
397.7614 3.181610
398.2435 3.482056
398.7256 3.056091
399.2078 2.013763
399.6899 0.1444090
400.1720 2.205566
400.6541 4.349152
401.1362 6.463013
401.6183 8.014252
402.1004 8.277466
402.5826 7.669006
403.0647 7.150574
403.5468 6.759369
404.0289 7.251221
404.5110 10.61496
404.9931 17.28375
405.4753 21.73447
405.9574 20.80130
406.4395 18.53604
406.9216 18.95621
407.4037 22.29913
407.8858 26.37839
408.3680 29.59149
408.8501 32.00836
409.3322 34.51501
409.8143 36.72754
410.2964 39.45374
410.7785 43.45825
411.2607 48.09033
411.7428 52.06461
412.2249 54.79547
412.7070 57.21240
413.1891 61.19852
413.6712 68.27411
414.1534 74.19928
414.6355 78.42120
415.1176 81.95697
415.5997 84.86072
416.0818 87.56284
416.5639 91.44250
417.0461 98.09421
417.5282 107.5762
418.0103 114.5007
418.4924 115.2561
418.9745 117.3091
419.4566 123.3164
419.9388 131.3048
420.4209 138.3728
420.9030 143.1385
421.3851 146.9612
421.8672 152.4929
422.3493 160.0374
422.8315 168.6224
423.3136 179.2254
423.7957 190.0313
424.2778 199.4369
424.7599 207.7519
425.2420 216.9133
425.7242 228.7605
426.2063 243.0970
426.6884 257.5757
427.1705 272.1418
427.6526 286.9311
428.1347 301.8804
428.6169 317.1522
429.0990 332.8446
429.5811 348.6640
430.0632 365.7347
430.5453 385.1775
431.0274 406.9799
431.5096 431.7879
431.9917 460.4228
432.4738 491.7998
432.9559 523.9762
433.4380 556.9783
433.9201 593.0726
434.4023 631.6309
434.8844 674.4172
435.3665 724.8268
435.8486 783.6273
436.3307 846.6783
436.8128 910.2177
437.2950 975.7975
437.7771 1047.778
438.2592 1127.758
438.7413 1212.983
439.2234 1302.625
439.7055 1396.170
440.1877 1493.938
440.6698 1597.205
441.1519 1699.795
441.6340 1792.096
442.1161 1868.823
442.5982 1950.224
443.0804 2040.649
443.5625 2133.311
444.0446 2224.179
444.5267 2312.734
445.0088 2400.923
445.4909 2489.325
445.9731 2578.817
446.4552 2679.199
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