#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:01:11 +0300 (Thu, 24 May 2018) $
#$Revision: 872 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000356.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_1000356
loop_
_publ_author_name
'Hazen, R. M.'
'Finger, L. W.'
'Mariathasan, J. W. E.'
_publ_section_title
;
 High-pressure crystal chemistry of scheelite-type tungstates and
 molybdates Note: P = 0.0001 GPa, in air
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              253
_journal_page_last               263
_journal_paper_doi               10.1016/0022-3697(85)90039-3
_journal_volume                  46
_journal_year                    1985
_chemical_compound_source        R150130
_chemical_formula_sum            'Ca O4 W'
_chemical_name_mineral           Scheelite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2429
_cell_length_b                   5.2429
_cell_length_c                   11.3737
_cell_volume                     312.640
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    6.117
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ca W O4'
_cod_database_code               9009626
_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            R150130.rod
_rod_data_source.block           3500000
_rod_database.code               1000356
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 9009626 COD http://www.crystallography.net/cod/9009626.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
89.78320 0.0000000E+00
90.26532 1.714127
90.74744 3.019058
91.22955 3.693466
91.71167 3.965530
92.19379 3.902100
92.67590 3.601181
93.15802 3.124237
93.64014 2.335480
94.12225 1.677704
94.60437 1.683807
95.08649 2.295807
95.56860 3.199677
96.05072 3.429352
96.53284 2.997543
97.01495 2.273727
97.49707 1.424149
97.97919 0.4447630
98.46130 0.2389980
98.94342 0.4930730
99.42554 0.3544010
99.90765 6.5734997E-02
100.3898 0.3896480
100.8719 0.9153590
101.3540 1.263779
101.8361 1.251526
102.3182 1.657562
102.8004 2.785263
103.2825 4.711304
103.7646 6.897552
104.2467 9.229507
104.7288 11.87108
105.2109 15.17032
105.6931 18.98508
106.1752 23.60504
106.6573 29.21649
107.1394 36.13184
107.6215 43.37300
108.1036 50.82751
108.5858 58.52885
109.0679 66.68620
109.5500 75.35361
110.0321 84.43715
110.5142 93.82567
110.9963 104.2654
111.4785 114.2065
111.9606 123.5093
112.4427 132.1952
112.9248 140.2369
113.4069 149.0103
113.8890 156.5262
114.3712 161.3702
114.8533 162.7441
115.3354 161.7704
115.8175 158.5202
116.2996 152.8859
116.7817 146.2195
117.2639 137.7894
117.7460 128.9275
118.2281 121.2323
118.7102 115.4673
119.1923 110.9348
119.6744 107.0878
120.1566 103.9466
120.6387 102.2924
121.1208 102.8049
121.6029 104.8162
122.0850 107.3151
122.5671 109.7240
123.0493 112.2643
123.5314 115.4511
124.0135 119.4498
124.4956 123.5821
124.9777 127.6665
125.4598 131.6410
125.9420 134.7289
126.4241 135.8561
126.9062 135.7117
127.3883 135.6814
127.8704 136.1934
128.3525 136.7936
128.8347 136.8525
129.3168 136.3257
129.7989 135.3491
130.2810 134.4533
130.7631 133.3171
131.2452 130.5746
131.7274 125.6786
132.2095 119.1138
132.6916 112.0418
133.1737 104.3858
133.6558 96.33082
134.1379 87.72844
134.6201 78.58304
135.1022 69.24287
135.5843 59.53588
136.0664 49.65882
136.5485 41.42117
137.0306 34.92625
137.5128 29.75559
137.9949 25.20602
138.4770 21.20976
138.9591 18.12253
139.4412 16.16837
139.9233 15.43719
140.4055 14.89320
140.8876 14.60630
141.3697 14.42844
141.8518 14.10350
142.3339 13.57434
142.8160 13.03314
143.2982 12.60537
143.7803 12.46382
144.2624 11.87338
144.7445 10.66856
145.2266 9.062103
145.7087 7.616211
146.1909 6.416199
146.6730 5.233688
147.1551 3.940262
147.6372 2.641838
148.1193 1.658859
148.6014 1.164688
149.0836 1.009361
149.5657 0.6248700
150.0478 0.3186870
150.5299 1.205818
151.0120 1.776436
151.4941 1.845688
151.9763 1.809059
152.4584 1.605370
152.9405 1.275482
153.4226 1.036659
153.9047 1.018471
154.3868 1.022163
154.8690 0.9396290
155.3511 0.5392680
155.8332 0.2916720
156.3153 0.3493190
156.7974 0.6739730
157.2795 0.9376750
157.7617 1.189804
158.2438 1.294037
158.7259 1.149162
159.2080 0.4818570
159.6901 0.1973720
160.1722 0.7948070
160.6544 1.306137
161.1365 1.650909
161.6186 1.577240
162.1007 1.407227
162.5828 1.427483
163.0649 1.852745
163.5471 2.389702
164.0292 2.927849
164.5113 3.462418
164.9934 3.984360
165.4755 4.571571
165.9576 5.122147
166.4398 5.508446
166.9219 5.415443
167.4040 5.329094
167.8861 5.620110
168.3682 6.322060
168.8503 7.077660
169.3325 7.610222
169.8146 8.051704
170.2967 8.613213
170.7788 9.456257
171.2609 10.42865
171.7430 11.46278
172.2252 12.58283
172.7073 13.52784
173.1894 13.84925
173.6715 13.82355
174.1536 14.06550
174.6357 14.99650
175.1179 16.30080
175.6000 17.66427
176.0821 19.08699
176.5642 20.41137
177.0463 21.40842
177.5284 22.16402
178.0106 22.92418
178.4927 23.76838
178.9748 24.71276
179.4569 25.77583
179.9390 26.98011
180.4211 28.28737
180.9033 29.68980
181.3854 31.18025
181.8675 32.69765
182.3496 34.25135
182.8317 35.81173
183.3138 37.35389
183.7960 38.82735
184.2781 40.33610
184.7602 41.96866
185.2423 43.75019
185.7244 45.73418
186.2065 47.93526
186.6887 50.35985
187.1708 53.11359
187.6529 56.26918
188.1350 59.66993
188.6171 62.84935
189.0992 65.83075
189.5814 69.10105
190.0635 73.22869
190.5456 78.12358
191.0277 82.64330
191.5098 86.56778
191.9919 90.18900
192.4741 94.18727
192.9562 98.58668
193.4383 102.7215
193.9204 106.0415
194.4025 108.5830
194.8846 110.9316
195.3668 113.1536
195.8489 115.2238
196.3310 117.0436
196.8131 118.5953
197.2952 119.9678
197.7773 121.1551
198.2595 122.1440
198.7416 123.2827
199.2237 124.5009
199.7058 125.9766
200.1879 128.1545
200.6700 131.0612
201.1522 134.6601
201.6343 138.9653
202.1164 143.9906
202.5985 149.6180
203.0806 155.8379
203.5627 162.5880
204.0449 169.5779
204.5270 176.7756
205.0091 184.3000
205.4912 192.4708
205.9733 201.5186
206.4554 209.9215
206.9376 217.7887
207.4197 224.7840
207.9018 230.0221
208.3839 233.6114
208.8660 235.1391
209.3481 234.5134
209.8303 231.9617
210.3124 226.1802
210.7945 216.3097
211.2766 203.2498
211.7587 190.2336
212.2408 177.2787
212.7230 164.2666
213.2051 150.7703
213.6872 136.2898
214.1693 122.9109
214.6514 110.9360
215.1335 100.2307
215.6157 90.73453
216.0978 82.49330
216.5799 75.27087
217.0620 68.92702
217.5441 63.56588
218.0262 58.71814
218.5084 54.33210
218.9905 50.36788
219.4726 46.87258
219.9547 43.92960
220.4368 41.22717
220.9189 38.59080
221.4011 35.96198
221.8832 33.64735
222.3653 31.77279
222.8474 30.23807
223.3295 28.45641
223.8116 26.26240
224.2938 24.11950
224.7759 22.29987
225.2580 20.87607
225.7401 19.61696
226.2222 18.51924
226.7043 17.55151
227.1865 16.60958
227.6686 15.76772
228.1507 14.93566
228.6328 14.02068
229.1149 12.88085
229.5970 11.96745
230.0792 11.43253
230.5613 11.16441
231.0434 10.64476
231.5255 9.570274
232.0076 8.620193
232.4897 8.281487
232.9719 9.095604
233.4540 9.292473
233.9361 8.555061
234.4182 7.164917
234.9003 6.107841
235.3824 5.484581
235.8646 5.090668
236.3467 4.868530
236.8288 4.990746
237.3109 4.887543
237.7930 4.441277
238.2751 3.775764
238.7573 3.276588
239.2394 3.035126
239.7215 2.817635
240.2036 2.493584
240.6857 1.910477
241.1678 1.577072
241.6500 1.606033
242.1321 1.851219
242.6142 1.936302
243.0963 1.738663
243.5784 1.559303
244.0605 1.558365
244.5427 1.913910
245.0248 1.971527
245.5069 1.541916
245.9890 0.8917850
246.4711 0.6413420
246.9532 1.061806
247.4354 1.436195
247.9175 1.431664
248.3996 0.8342060
248.8817 0.5800780
249.3638 0.8106610
249.8459 1.306091
250.3281 1.670174
250.8102 1.885086
251.2923 2.004173
251.7744 2.041595
252.2565 1.979355
252.7386 1.881691
253.2208 1.669914
253.7029 1.480888
254.1850 1.538628
254.6671 1.899475
255.1492 2.406708
255.6313 3.074867
256.1135 3.963173
256.5956 4.550392
257.0777 4.665085
257.5598 4.628632
258.0419 4.876823
258.5240 5.489014
259.0062 6.191818
259.4883 6.968407
259.9704 7.814255
260.4525 8.466240
260.9346 8.844704
261.4167 9.113106
261.8989 9.451622
262.3810 9.867912
262.8631 10.32126
263.3452 10.79538
263.8273 11.30379
264.3094 11.83904
264.7916 12.42378
265.2737 13.02861
265.7558 13.63303
266.2379 14.21310
266.7200 14.88564
267.2021 15.83186
267.6843 16.95890
268.1664 17.29644
268.6485 16.53773
269.1306 15.62293
269.6127 15.48998
270.0948 16.42412
270.5770 16.82682
271.0591 16.32566
271.5412 15.09268
272.0233 13.90372
272.5054 12.75051
272.9875 11.69315
273.4697 10.84872
273.9518 10.27630
274.4339 9.471077
274.9160 8.289589
275.3981 6.889816
275.8802 5.781906
276.3624 5.056747
276.8445 4.309822
277.3266 3.205566
277.8087 1.704361
278.2908 0.4654920
278.7729 0.4153370
279.2551 1.054665
279.7372 1.702164
280.2193 2.369385
280.7014 2.971786
281.1835 3.478340
281.6656 3.888618
282.1478 4.184601
282.6299 4.371529
283.1120 4.432457
283.5941 4.242378
284.0762 3.779190
284.5583 3.466606
285.0405 3.596649
285.5226 4.109688
286.0047 4.409821
286.4868 4.456467
286.9689 4.417793
287.4510 4.600395
287.9332 4.982529
288.4153 5.132462
288.8974 4.812088
289.3795 4.130165
289.8616 3.508888
290.3438 2.956650
290.8259 2.366592
291.3080 1.567963
291.7901 0.6226500
292.2722 0.1972730
292.7543 0.7059780
293.2365 1.070129
293.7186 1.638802
294.2007 2.405823
294.6828 3.363937
295.1649 4.543266
295.6470 5.889656
296.1292 7.311790
296.6113 8.798042
297.0934 10.31807
297.5755 11.76463
298.0576 13.16647
298.5397 14.73386
299.0219 16.70068
299.5040 19.00069
299.9861 21.44633
300.4682 24.01958
300.9503 26.65318
301.4324 29.25189
301.9146 31.84714
302.3967 34.69121
302.8788 37.96619
303.3609 41.51680
303.8430 44.92586
304.3251 47.99132
304.8073 51.57715
305.2894 56.63853
305.7715 62.81935
306.2536 69.43024
306.7357 76.33055
307.2178 83.37601
307.7000 90.10999
308.1821 96.40271
308.6642 103.2117
309.1463 111.0515
309.6284 119.8521
310.1105 129.6472
310.5927 140.3088
311.0748 151.9116
311.5569 164.7505
312.0390 178.8412
312.5211 193.6502
313.0032 209.0041
313.4854 225.0467
313.9675 241.7176
314.4496 258.9841
314.9317 276.8305
315.4138 295.3598
315.8959 314.5393
316.3781 334.6880
316.8602 356.3973
317.3423 378.6584
317.8244 400.6279
318.3065 421.4304
318.7886 442.8777
319.2708 465.4128
319.7529 488.9119
320.2350 513.1287
320.7171 536.9395
321.1992 561.9465
321.6813 588.8262
322.1635 617.5952
322.6456 648.3753
323.1277 681.5236
323.6098 716.6311
324.0919 753.1746
324.5740 790.8839
325.0562 829.7073
325.5383 869.9719
326.0204 912.2617
326.5025 953.6055
326.9846 994.6591
327.4667 1034.239
327.9489 1071.647
328.4310 1110.968
328.9131 1143.709
329.3952 1169.318
329.8773 1187.841
330.3594 1198.166
330.8416 1201.458
331.3237 1195.537
331.8058 1178.600
332.2879 1147.945
332.7700 1110.379
333.2521 1064.758
333.7343 1012.151
334.2164 957.2595
334.6985 899.8840
335.1806 841.4554
335.6627 781.9665
336.1448 720.3931
336.6270 662.3289
337.1091 608.1869
337.5912 558.1091
338.0733 511.7403
338.5554 469.7413
339.0375 430.7619
339.5197 394.1565
340.0018 360.1946
340.4839 329.3291
340.9660 302.2974
341.4481 278.0132
341.9302 255.9180
342.4124 235.8500
342.8945 217.5947
343.3766 201.1452
343.8587 186.3925
344.3408 171.8665
344.8229 157.5026
345.3051 144.3470
345.7872 133.7486
346.2693 125.4616
346.7514 117.4751
347.2335 109.4393
347.7156 101.5631
348.1978 94.40201
348.6799 87.94365
349.1620 82.01009
349.6441 76.40829
350.1262 71.23018
350.6083 66.80548
351.0905 63.22241
351.5726 60.06119
352.0547 56.71475
352.5368 53.34767
353.0189 50.46098
353.5010 48.53709
353.9832 47.12158
354.4653 45.69652
354.9474 44.22525
355.4295 42.81116
355.9116 41.20851
356.3937 39.77798
356.8759 39.10422
357.3580 40.16125
357.8401 41.43437
358.3222 41.62622
358.8043 40.89848
359.2864 40.50761
359.7686 41.30463
360.2507 42.69511
360.7328 44.10591
361.2149 45.15727
361.6970 46.53813
362.1791 48.78101
362.6613 51.57840
363.1434 54.20834
363.6255 56.41377
364.1076 58.44363
364.5897 60.28825
365.0718 61.66666
365.5540 63.70346
366.0361 66.78291
366.5182 70.55910
367.0003 74.61746
367.4824 79.32732
367.9645 83.89035
368.4467 88.35930
368.9288 92.69073
369.4109 96.13782
369.8930 97.68851
370.3751 99.14297
370.8572 101.7548
371.3394 106.2666
371.8215 110.6416
372.3036 114.6966
372.7857 118.5149
373.2678 122.4640
373.7499 126.6974
374.2321 130.8469
374.7142 134.7733
375.1963 138.5916
375.6784 141.7481
376.1605 144.0840
376.6426 145.9258
377.1248 147.6181
377.6069 149.1340
378.0890 150.7589
378.5711 152.5832
379.0532 154.6009
379.5353 156.7308
380.0175 159.0529
380.4996 161.1835
380.9817 162.6391
381.4638 163.4972
381.9459 164.4525
382.4280 165.6459
382.9102 166.9936
383.3923 168.2287
383.8744 169.3901
384.3565 170.8034
384.8386 172.6836
385.3207 174.9560
385.8029 177.3276
386.2850 179.7260
386.7671 182.5743
387.2492 186.4914
387.7313 191.2184
388.2134 196.0989
388.6956 200.3141
389.1777 204.8215
389.6598 210.5439
390.1419 217.4554
390.6240 225.0935
391.1061 233.7485
391.5883 242.8247
392.0704 251.7324
392.5525 260.2466
393.0346 268.6432
393.5167 277.3947
393.9988 286.2651
394.4810 294.6897
394.9631 303.1671
395.4452 310.6151
395.9273 316.6800
396.4094 321.6282
396.8915 324.1988
397.3737 324.7508
397.8558 322.5965
398.3379 316.8897
398.8200 305.5410
399.3021 292.7120
399.7842 279.0578
400.2664 264.5848
400.7485 248.9022
401.2306 231.0045
401.7127 213.0670
402.1948 196.4992
402.6769 181.6447
403.1591 167.4241
403.6412 153.7117
404.1233 140.6665
404.6054 128.2860
405.0875 116.6844
405.5696 105.7899
406.0518 95.73997
406.5339 86.56154
407.0160 77.25018
407.4981 67.74805
407.9802 58.55374
408.4623 50.28040
408.9445 42.89284
409.4266 36.13361
409.9087 29.97150
410.3908 24.37138
410.8729 19.33777
411.3550 14.85014
411.8372 10.89177
412.3193 7.450470
412.8014 4.484909
413.2835 1.899857
413.7656 0.3056490
414.2477 2.271149
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