#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:03:52 +0300 (Thu, 26 Apr 2018) $
#$Revision: 644 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000178.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_1000178
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 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            R150130.rod
_rod_data_source.block           3500000
_rod_database.code               1000178
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
90.59570 0.0000000E+00
91.07782 23.01758
91.55994 3.139893
92.04205 56.56152
92.52417 148.4031
93.00629 257.1824
93.48840 355.0076
93.97052 410.5422
94.45264 405.0544
94.93475 390.3652
95.41687 370.9375
95.89898 350.8044
96.38110 331.9050
96.86321 312.7092
97.34533 289.4014
97.82745 254.6707
98.30956 222.0149
98.79168 191.6880
99.27380 166.3506
99.75591 145.4111
100.2380 128.0483
100.7201 114.1426
101.2023 102.9697
101.6844 95.35278
102.1665 91.99878
102.6486 92.30054
103.1307 97.50073
103.6128 108.2351
104.0950 124.4688
104.5771 148.8621
105.0592 181.1304
105.5413 220.6602
106.0234 268.7668
106.5055 325.8440
106.9877 390.8640
107.4698 462.4443
107.9519 543.2668
108.4340 627.7703
108.9161 713.2832
109.3982 800.0110
109.8804 888.1665
110.3625 977.9324
110.8446 1068.690
111.3267 1163.076
111.8088 1268.165
112.2909 1371.108
112.7731 1472.350
113.2552 1568.406
113.7373 1651.232
114.2194 1710.943
114.7015 1745.643
115.1836 1756.189
115.6658 1737.674
116.1479 1698.314
116.6300 1644.153
117.1121 1574.847
117.5942 1496.492
118.0763 1427.499
118.5584 1361.074
119.0406 1309.873
119.5227 1276.909
120.0048 1257.412
120.4869 1249.802
120.9690 1254.980
121.4511 1271.785
121.9333 1292.665
122.4154 1317.384
122.8975 1345.553
123.3796 1379.429
123.8617 1419.644
124.3438 1458.683
124.8260 1494.569
125.3081 1526.696
125.7902 1553.852
126.2723 1575.176
126.7544 1592.210
127.2365 1608.569
127.7187 1627.385
128.2008 1640.955
128.6829 1648.719
129.1650 1650.550
129.6471 1646.361
130.1292 1636.307
130.6114 1620.643
131.0935 1597.253
131.5756 1566.894
132.0577 1527.223
132.5398 1478.256
133.0219 1419.256
133.5041 1349.140
133.9862 1266.386
134.4683 1169.206
134.9504 1065.782
135.4325 952.0151
135.9146 836.4160
136.3968 721.4246
136.8789 608.3318
137.3610 500.6150
137.8431 403.0652
138.3252 316.0210
138.8073 241.9316
139.2895 183.5894
139.7716 137.0254
140.2537 98.88574
140.7358 69.42749
141.2179 45.33472
141.7000 23.12817
142.1821 2.530273
142.6643 15.57764
143.1464 30.75000
143.6285 43.12207
144.1106 53.14014
144.5927 60.33301
145.0748 65.52222
145.5570 69.28345
146.0391 71.69434
146.5212 74.41479
147.0033 79.29492
147.4854 86.64258
147.9675 93.11304
148.4497 87.37354
148.9318 81.44604
149.4139 76.15210
149.8960 71.08594
150.3781 65.94531
150.8602 59.70093
151.3424 51.80029
151.8245 43.87744
152.3066 36.61646
152.7887 29.15308
153.2708 20.51343
153.7529 10.40942
154.2351 0.4262700
154.7172 10.11670
155.1993 15.86353
155.6814 23.93018
156.1635 36.37109
156.6456 50.74780
157.1278 63.94873
157.6099 74.37012
158.0920 82.84155
158.5741 92.94580
159.0562 104.6931
159.5383 117.5789
160.0205 131.7107
160.5026 146.9329
160.9847 162.9937
161.4668 179.7600
161.9489 197.2385
162.4310 214.8245
162.9131 232.6965
163.3953 250.4375
163.8774 267.1145
164.3595 282.9387
164.8416 299.7185
165.3237 319.2107
165.8058 340.4133
166.2880 360.8008
166.7701 379.4104
167.2522 397.8003
167.7343 417.4614
168.2164 438.3528
168.6985 460.6018
169.1807 484.3921
169.6628 509.4141
170.1449 535.8308
170.6270 564.0420
171.1091 593.3635
171.5912 622.0869
172.0734 649.5205
172.5555 677.6362
173.0376 707.6257
173.5197 738.7266
174.0018 769.9031
174.4839 800.0056
174.9661 829.5935
175.4482 861.9705
175.9303 900.6091
176.4124 938.4319
176.8945 972.0754
177.3766 1003.596
177.8588 1036.474
178.3409 1073.771
178.8230 1115.646
179.3051 1154.918
179.7872 1187.506
180.2693 1221.600
180.7515 1259.759
181.2336 1301.577
181.7157 1345.080
182.1978 1388.885
182.6799 1433.130
183.1620 1475.775
183.6441 1514.538
184.1263 1554.008
184.6084 1596.318
185.0905 1641.416
185.5726 1688.018
186.0547 1734.756
186.5368 1781.643
187.0190 1829.098
187.5011 1875.293
187.9832 1922.831
188.4653 1974.161
188.9474 2029.218
189.4296 2085.759
189.9117 2141.671
190.3938 2196.843
190.8759 2253.214
191.3580 2310.464
191.8401 2368.949
192.3223 2431.312
192.8044 2499.236
193.2865 2564.353
193.7686 2616.802
194.2507 2659.669
194.7328 2699.199
195.2150 2739.730
195.6971 2777.931
196.1792 2806.351
196.6613 2822.113
197.1434 2832.540
197.6255 2842.165
198.1077 2851.102
198.5898 2859.388
199.0719 2864.187
199.5540 2867.590
200.0361 2878.399
200.5182 2897.284
201.0004 2924.336
201.4825 2960.042
201.9646 3002.771
202.4467 3047.810
202.9288 3090.987
203.4109 3132.932
203.8930 3181.045
204.3752 3235.428
204.8573 3296.677
205.3394 3368.409
205.8215 3446.938
206.3036 3525.475
206.7857 3597.527
207.2679 3662.795
207.7500 3726.938
208.2321 3801.230
208.7142 3863.854
209.1963 3909.958
209.6784 3938.148
210.1606 3948.042
210.6427 3939.660
211.1248 3913.547
211.6069 3863.376
212.0890 3778.916
212.5711 3682.875
213.0533 3576.500
213.5354 3464.648
214.0175 3355.309
214.4996 3255.844
214.9817 3167.022
215.4638 3082.945
215.9460 2998.928
216.4281 2922.221
216.9102 2856.867
217.3923 2802.492
217.8744 2754.977
218.3565 2710.839
218.8387 2670.150
219.3208 2636.677
219.8029 2613.753
220.2850 2594.265
220.7671 2574.215
221.2492 2553.366
221.7314 2533.241
222.2135 2514.845
222.6956 2498.440
223.1777 2484.444
223.6598 2475.438
224.1419 2466.924
224.6240 2454.678
225.1062 2438.701
225.5883 2423.510
226.0704 2413.335
226.5525 2407.960
227.0346 2402.996
227.5167 2398.304
227.9989 2393.730
228.4810 2389.544
228.9631 2385.843
229.4452 2381.295
229.9273 2373.993
230.4094 2364.650
230.8916 2355.918
231.3737 2349.032
231.8558 2342.628
232.3379 2335.203
232.8200 2326.739
233.3021 2317.870
233.7843 2308.216
234.2664 2298.466
234.7485 2289.776
235.2306 2283.264
235.7127 2276.948
236.1948 2267.909
236.6770 2255.539
237.1591 2242.774
237.6412 2232.661
238.1233 2222.239
238.6054 2207.708
239.0875 2186.675
239.5697 2162.957
240.0518 2143.084
240.5339 2128.503
241.0160 2113.478
241.4981 2094.551
241.9802 2074.453
242.4624 2055.973
242.9445 2040.388
243.4266 2025.845
243.9087 2008.971
244.3908 1988.802
244.8729 1968.875
245.3550 1950.277
245.8372 1932.258
246.3193 1914.373
246.8014 1896.472
247.2835 1878.306
247.7656 1859.598
248.2477 1841.261
248.7299 1819.948
249.2120 1793.493
249.6941 1765.266
250.1762 1737.972
250.6583 1712.373
251.1404 1687.147
251.6226 1659.910
252.1047 1630.324
252.5868 1599.587
253.0689 1566.472
253.5510 1533.369
254.0331 1502.290
254.5153 1473.634
254.9974 1445.627
255.4795 1415.210
255.9616 1380.894
256.4437 1347.546
256.9258 1315.886
257.4080 1284.659
257.8901 1252.765
258.3722 1220.157
258.8543 1187.615
259.3364 1156.384
259.8185 1127.639
260.3007 1097.109
260.7828 1062.475
261.2649 1027.996
261.7470 996.3250
262.2291 967.6345
262.7112 940.8088
263.1934 914.6040
263.6755 889.4333
264.1576 863.2380
264.6397 834.1538
265.1218 805.8423
265.6039 780.3438
266.0861 757.7556
266.5682 737.0505
267.0503 717.3472
267.5324 698.7712
268.0145 680.7222
268.4966 664.5742
268.9788 647.6316
269.4609 628.0715
269.9430 606.3774
270.4251 584.6460
270.9072 564.7449
271.3893 546.9004
271.8715 526.7021
272.3536 502.8584
272.8357 478.5200
273.3178 455.5933
273.7999 433.4067
274.2820 410.1763
274.7642 384.8037
275.2463 357.2507
275.7284 327.2795
276.2105 291.4866
276.6926 257.4319
277.1747 227.4067
277.6568 200.8960
278.1389 176.9585
278.6211 155.3015
279.1032 135.4912
279.5853 115.5684
280.0674 93.31421
280.5495 73.45215
281.0316 58.46802
281.5138 46.52466
281.9959 34.30566
282.4780 20.33374
282.9601 5.516846
283.4422 7.595459
283.9243 18.96045
284.4065 29.15112
284.8886 37.93262
285.3707 45.69043
285.8528 53.35986
286.3349 61.41064
286.8170 68.43262
287.2992 71.52295
287.7813 69.51343
288.2634 67.99683
288.7455 67.62476
289.2276 68.29736
289.7097 70.23706
290.1919 73.54517
290.6740 77.24976
291.1561 80.47314
291.6382 83.35742
292.1203 84.35815
292.6024 82.60083
293.0846 79.29663
293.5667 75.85474
294.0488 72.40454
294.5309 67.66089
295.0130 60.09229
295.4951 49.57446
295.9773 39.32471
296.4594 30.94189
296.9415 21.79395
297.4236 9.123291
297.9057 6.809570
298.3878 22.69189
298.8700 35.56641
299.3521 46.35767
299.8342 60.70825
300.3163 80.78711
300.7984 102.1711
301.2805 121.8484
301.7627 140.4470
302.2448 161.2073
302.7269 185.8684
303.2090 214.1631
303.6911 244.8435
304.1732 278.6072
304.6554 313.5481
305.1375 347.4590
305.6196 381.8472
306.1017 420.7454
306.5838 465.8647
307.0659 515.8567
307.5481 567.4465
308.0302 619.2249
308.5123 676.3479
308.9944 739.7871
309.4765 809.6868
309.9586 885.7905
310.4408 967.7524
310.9229 1055.763
311.4050 1150.167
311.8871 1250.846
312.3692 1356.116
312.8513 1464.617
313.3335 1577.914
313.8156 1699.216
314.2977 1828.757
314.7798 1963.952
315.2619 2104.331
315.7440 2250.073
316.2262 2395.918
316.7083 2535.856
317.1904 2679.697
317.6725 2832.647
318.1546 2996.051
318.6367 3173.447
319.1188 3368.119
319.6010 3580.089
320.0831 3803.839
320.5652 4036.173
321.0473 4283.834
321.5294 4548.218
322.0115 4829.884
322.4937 5135.616
322.9758 5466.253
323.4579 5824.064
323.9400 6205.218
324.4221 6607.611
324.9042 7033.065
325.3864 7486.918
325.8685 7964.178
326.3506 8463.526
326.8327 8988.209
327.3148 9524.407
327.7969 10060.21
328.2791 10603.85
328.7612 11106.57
329.2433 11583.25
329.7254 12001.41
330.2075 12334.85
330.6896 12579.15
331.1718 12712.26
331.6539 12712.32
332.1360 12564.60
332.6181 12289.31
333.1002 11852.95
333.5823 11316.93
334.0645 10693.93
334.5466 9999.878
335.0287 9283.543
335.5108 8574.349
335.9929 7874.347
336.4750 7210.456
336.9572 6565.887
337.4393 5961.999
337.9214 5406.977
338.4035 4897.406
338.8856 4432.149
339.3677 4011.776
339.8499 3632.891
340.3320 3293.226
340.8141 2994.085
341.2962 2723.912
341.7783 2486.109
342.2604 2273.821
342.7426 2081.201
343.2247 1907.332
343.7068 1749.736
344.1889 1606.034
344.6710 1479.480
345.1531 1362.495
345.6353 1255.770
346.1174 1159.487
346.5995 1075.737
347.0816 1004.083
347.5637 938.6655
348.0458 875.0962
348.5280 813.0913
349.0101 758.2473
349.4922 711.4089
349.9743 669.5803
350.4564 632.7554
350.9385 600.5024
351.4207 571.8750
351.9028 546.5469
352.3849 524.4268
352.8670 504.9121
353.3491 488.1289
353.8312 474.0703
354.3134 461.6226
354.7955 452.2998
355.2776 448.9741
355.7597 452.4595
356.2418 458.7432
356.7239 461.7612
357.2061 459.0288
357.6882 457.9585
358.1703 457.5723
358.6524 459.3467
359.1345 464.8530
359.6166 473.8420
360.0987 484.4377
360.5808 494.9446
361.0630 505.3284
361.5451 515.8074
362.0272 527.0872
362.5093 537.6934
362.9914 547.0579
363.4735 555.4089
363.9557 563.1194
364.4378 570.3877
364.9199 577.3259
365.4020 584.3579
365.8841 591.0720
366.3662 599.0122
366.8484 608.5437
367.3305 619.0115
367.8126 630.7554
368.2947 643.5918
368.7768 655.3508
369.2589 662.3987
369.7411 663.0334
370.2232 663.1060
370.7053 661.7747
371.1874 660.3743
371.6695 659.6194
372.1516 659.5972
372.6338 659.9355
373.1159 660.5583
373.5980 661.4253
374.0801 661.4248
374.5622 659.0068
375.0443 657.5669
375.5265 659.1523
376.0086 662.3066
376.4907 664.3359
376.9728 663.3718
377.4549 661.5947
377.9370 664.2246
378.4192 672.8137
378.9013 681.4697
379.3834 688.1267
379.8655 694.4871
380.3476 701.9614
380.8297 710.8003
381.3119 720.0034
381.7940 728.2285
382.2761 735.4624
382.7582 744.2974
383.2403 755.1201
383.7224 767.6914
384.2046 781.6689
384.6867 796.9202
385.1688 813.2715
385.6509 830.9248
386.1330 849.4392
386.6151 867.4463
387.0973 884.3889
387.5794 902.9158
388.0615 925.4895
388.5436 950.4844
389.0257 975.3274
389.5078 997.8340
389.9900 1023.147
390.4721 1056.412
390.9542 1097.126
391.4363 1140.104
391.9184 1183.502
392.4005 1228.809
392.8827 1278.064
393.3648 1331.254
393.8469 1386.406
394.3290 1441.607
394.8111 1498.604
395.2932 1561.841
395.7754 1633.310
396.2575 1702.327
396.7396 1760.509
397.2217 1807.576
397.7038 1848.728
398.1859 1889.388
398.6681 1920.070
399.1501 1936.049
399.6323 1937.151
400.1144 1922.255
400.5965 1889.384
401.0786 1842.444
401.5607 1792.248
402.0428 1738.396
402.5250 1682.507
403.0071 1622.682
403.4892 1561.847
403.9713 1504.905
404.4534 1452.837
404.9355 1400.320
405.4177 1340.933
405.8998 1273.568
406.3819 1206.139
406.8640 1140.081
407.3461 1072.964
407.8282 1001.443
408.3104 927.5562
408.7925 856.0930
409.2746 789.3032
409.7567 726.8989
410.2388 666.2021
410.7209 605.9663
411.2031 549.6450
411.6852 496.7488
412.1673 448.1597
412.6494 405.1353
413.1315 367.7627
413.6136 334.2449
414.0958 302.3796
414.5779 271.8967
415.0600 243.5527
415.5421 218.1917
416.0242 194.4280
416.5063 171.6677
416.9885 150.0371
417.4706 130.4141
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