#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:07:55 +0300 (Thu, 24 May 2018) $ #$Revision: 652 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000184.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_1000184 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 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 R040011.rod _rod_data_source.block 3500000 _rod_database.code 1000184 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 118.9584 0.0000000E+00 119.4405 0.9224850 119.9227 11.54602 120.4048 22.31006 120.8869 30.30542 121.3690 39.85266 121.8511 51.23993 122.3332 65.53998 122.8154 85.49811 123.2975 119.6083 123.7796 156.6512 124.2617 187.5533 124.7438 212.3287 125.2259 224.7547 125.7081 213.6777 126.1902 182.3079 126.6723 142.2065 127.1544 99.59656 127.6365 61.04803 128.1186 31.50098 128.6008 12.94647 129.0829 2.637085 129.5650 1.204773 130.0471 1.055847 130.5292 4.577637 131.0113 5.554077 131.4935 4.461182 131.9756 3.132385 132.4577 1.444336 132.9398 4.9805000E-02 133.4219 0.4619140 133.9040 2.526550 134.3862 7.028259 134.8683 15.41229 135.3504 27.61267 135.8325 40.41278 136.3146 53.27051 136.7967 66.01678 137.2789 77.28522 137.7610 87.07196 138.2431 97.01929 138.7252 106.9470 139.2073 116.0377 139.6894 126.5863 140.1716 138.6738 140.6537 151.9756 141.1358 169.9515 141.6179 192.6719 142.1000 220.2053 142.5821 251.6767 143.0643 285.8093 143.5464 326.9208 144.0285 376.5939 144.5106 432.5640 144.9927 502.2703 145.4748 587.3640 145.9570 685.2801 146.4391 785.9388 146.9212 896.7119 147.4033 1002.618 147.8854 1100.221 148.3675 1212.187 148.8497 1280.071 149.3318 1304.360 149.8139 1284.554 150.2960 1212.398 150.7781 1049.105 151.2602 862.4250 151.7424 690.3966 152.2245 522.4407 152.7066 380.1851 153.1887 268.7094 153.6708 187.7857 154.1529 122.8196 154.6351 76.65643 155.1172 43.16663 155.5993 18.12939 156.0814 4.342468 156.5635 4.871948 157.0456 10.24866 157.5278 11.79102 158.0099 11.00732 158.4920 7.680725 158.9741 2.392883 159.4562 4.338684 159.9383 13.68207 160.4205 23.28522 160.9026 31.99506 161.3847 39.65625 161.8668 48.48468 162.3489 56.10370 162.8310 66.20062 163.3132 83.07318 163.7953 111.8931 164.2774 144.9225 164.7595 179.0219 165.2416 214.2661 165.7237 248.9088 166.2059 288.7853 166.6880 326.8703 167.1701 352.4596 167.6522 361.5876 168.1343 356.2926 168.6164 335.5434 169.0985 296.9531 169.5807 253.1656 170.0628 207.4249 170.5449 162.4640 171.0270 124.0911 171.5091 96.17810 171.9912 75.70569 172.4734 59.99115 172.9555 48.93726 173.4376 44.47815 173.9197 46.09930 174.4018 52.27136 174.8839 61.74738 175.3661 75.21765 175.8482 90.61963 176.3303 106.7275 176.8124 124.2270 177.2945 142.4994 177.7766 162.7264 178.2588 183.4794 178.7409 198.0155 179.2230 203.4528 179.7051 199.7489 180.1872 185.4193 180.6693 157.1746 181.1515 123.6891 181.6336 94.75043 182.1157 70.49152 182.5978 52.03296 183.0799 40.66077 183.5620 35.54968 184.0442 34.95215 184.5263 39.32391 185.0084 46.88110 185.4905 54.21228 185.9726 61.40051 186.4547 71.18567 186.9369 87.53741 187.4190 108.9204 187.9011 128.4377 188.3832 145.2514 188.8653 159.1241 189.3474 171.1308 189.8296 181.5656 190.3117 185.4807 190.7938 176.2378 191.2759 155.3073 191.7580 133.7499 192.2401 112.4960 192.7223 92.83765 193.2044 77.80743 193.6865 67.15558 194.1686 61.86713 194.6507 62.63037 195.1328 69.35706 195.6150 82.28760 196.0971 101.5298 196.5792 126.9336 197.0613 158.1807 197.5434 195.2252 198.0255 237.7528 198.5077 287.9667 198.9898 346.6702 199.4719 398.4727 199.9540 440.4294 200.4361 472.4916 200.9182 493.5401 201.4004 501.5889 201.8825 504.2802 202.3646 508.0306 202.8467 512.5974 203.3288 520.2717 203.8109 532.8043 204.2931 549.3682 204.7752 562.9935 205.2573 573.6021 205.7394 581.5051 206.2215 586.3297 206.7036 587.3810 207.1858 588.6241 207.6679 590.0209 208.1500 591.8711 208.6321 598.5595 209.1142 609.6065 209.5963 626.3427 210.0785 650.0632 210.5606 680.4963 211.0427 718.2247 211.5248 762.5902 212.0069 813.7083 212.4890 877.2860 212.9712 953.7155 213.4533 1042.383 213.9354 1139.756 214.4175 1243.115 214.8996 1365.532 215.3817 1511.499 215.8639 1679.773 216.3460 1875.385 216.8281 2122.872 217.3102 2365.928 217.7923 2548.345 218.2744 2684.015 218.7565 2726.357 219.2387 2657.461 219.7208 2476.321 220.2029 2231.448 220.6850 1897.294 221.1671 1532.190 221.6492 1199.291 222.1314 887.1693 222.6135 626.8228 223.0956 434.9130 223.5777 310.4620 224.0598 213.5422 224.5419 149.5880 225.0241 106.0988 225.5062 69.85071 225.9883 42.30334 226.4704 19.52997 226.9525 1.497253 227.4346 11.99054 227.9168 22.29443 228.3989 29.15466 228.8810 33.13574 229.3631 34.51471 229.8452 32.50311 230.3273 29.49866 230.8095 26.14117 231.2916 22.49329 231.7737 17.08319 232.2558 10.01312 232.7379 1.083496 233.2200 9.400696 233.7022 19.47382 234.1843 34.95148 234.6664 57.62408 235.1485 87.35052 235.6306 119.6251 236.1127 156.8655 236.5949 194.5897 237.0770 229.0214 237.5591 260.4976 238.0412 287.8593 238.5233 310.0370 239.0054 327.1066 239.4876 342.8234 239.9697 355.3879 240.4518 368.6785 240.9339 386.4766 241.4160 411.3483 241.8981 435.5380 242.3803 457.0519 242.8624 476.1146 243.3445 497.2645 243.8266 520.4528 244.3087 545.9358 244.7908 573.9925 245.2730 605.0153 245.7551 637.7445 246.2372 671.6228 246.7193 706.7883 247.2014 745.0967 247.6835 784.4650 248.1657 829.0710 248.6478 881.3146 249.1299 941.7380 249.6120 1008.754 250.0941 1079.850 250.5762 1156.391 251.0584 1250.022 251.5405 1360.986 252.0226 1487.629 252.5047 1628.002 252.9868 1785.934 253.4689 1952.597 253.9511 2139.457 254.4332 2337.610 254.9153 2497.740 255.3974 2638.905 255.8795 2713.535 256.3616 2685.188 256.8438 2527.716 257.3259 2332.708 257.8080 2088.375 258.2901 1813.612 258.7722 1571.987 259.2543 1363.615 259.7365 1187.022 260.2186 1039.249 260.7007 926.4142 261.1828 828.5629 261.6649 746.1376 262.1470 677.9387 262.6292 617.9767 263.1113 566.7444 263.5934 523.4711 264.0755 488.3153 264.5576 461.7217 265.0397 440.4979 265.5219 424.4440 266.0040 413.4993 266.4861 407.8923 266.9682 409.5111 267.4503 412.3036 267.9324 415.4788 268.4146 421.4236 268.8967 416.1243 269.3788 397.3405 269.8609 369.2992 270.3430 339.4287 270.8251 307.3134 271.3073 275.0884 271.7894 242.9498 272.2715 210.2748 272.7536 184.4079 273.2357 167.0792 273.7178 154.7512 274.2000 142.2704 274.6821 129.6321 275.1642 116.8331 275.6463 103.4828 276.1284 89.55786 276.6105 77.14044 277.0927 65.97882 277.5748 56.73090 278.0569 50.65063 278.5390 48.08179 279.0211 46.45471 279.5032 44.77826 279.9854 43.22229 280.4675 43.27576 280.9496 45.34137 281.4317 47.98163 281.9138 49.52570 282.3959 49.90820 282.8781 50.59326 283.3602 52.27466 283.8423 54.65125 284.3244 56.23364 284.8065 56.57874 285.2886 56.48242 285.7708 57.44977 286.2529 59.58417 286.7350 61.23486 287.2171 61.95129 287.6992 62.41699 288.1813 64.46204 288.6635 68.07751 289.1456 72.00531 289.6277 75.56458 290.1098 78.80328 290.5919 81.15894 291.0740 81.97168 291.5562 82.21082 292.0383 84.62787 292.5204 89.14349 293.0025 93.69843 293.4846 96.72247 293.9667 98.68640 294.4489 101.2048 294.9310 104.4500 295.4131 108.3014 295.8952 112.5275 296.3773 117.1635 296.8594 122.4608 297.3416 129.2600 297.8237 136.8265 298.3058 143.0689 298.7879 147.6292 299.2700 152.1982 299.7521 159.1194 300.2343 167.7626 300.7164 175.7747 301.1985 182.8452 301.6806 188.4113 302.1627 190.8394 302.6448 189.9183 303.1270 188.4937 303.6091 189.5028 304.0912 191.9282 304.5733 193.7075 305.0554 194.9307 305.5375 194.5544 306.0197 191.3660 306.5018 185.4241 306.9839 177.2805 307.4660 166.9625 307.9481 154.8466 308.4302 141.4315 308.9124 125.6660 309.3945 109.6860 309.8766 94.20825 310.3587 79.48199 310.8408 67.59503 311.3229 62.41821 311.8051 59.47382 312.2872 54.00049 312.7693 42.64288 313.2514 32.27209 313.7335 27.66693 314.2156 27.37250 314.6978 27.04889 315.1799 24.30115 315.6620 20.99597 316.1441 18.47504 316.6262 17.02197 317.1083 16.11414 317.5905 16.33246 318.0726 16.85822 318.5547 16.26642 319.0368 12.75354 319.5189 9.020874 320.0010 6.396423 320.4832 5.113770 320.9653 4.271606 321.4474 3.387390 321.9295 2.887451 322.4116 3.272095 322.8937 6.693298 323.3759 9.056152 323.8580 8.774536 324.3401 5.670410 324.8222 2.712524 325.3043 0.3510130 325.7864 2.737366 326.2686 3.843201 326.7507 2.125671 327.2328 0.7708130 327.7149 0.4414670 328.1970 1.028564 328.6791 1.161438 329.1613 0.1337890 329.6434 1.192993 330.1255 1.156372 330.6076 1.372803 331.0897 3.191284 331.5718 4.071777 332.0540 4.218445 332.5361 4.249512 333.0182 4.238953 333.5003 4.008606 333.9824 3.260437 334.4645 1.274414 334.9467 0.9379270 335.4288 3.244629 335.9109 6.504333 336.3930 7.782715 336.8751 6.209656 337.3572 4.838074 337.8394 4.876404 338.3215 6.453613 338.8036 6.193726 339.2857 3.223633 339.7678 0.1145020 340.2499 0.9734500 340.7320 1.201111 341.2141 2.818176 341.6963 2.924805 342.1784 1.866272 342.6605 1.083008 343.1426 0.5249630 343.6247 0.5444340 344.1068 2.372986 344.5890 5.836365 345.0711 6.442932 345.5532 2.789856 346.0353 2.993286 346.5174 6.156433 346.9995 6.775513 347.4817 7.474670 347.9638 10.08533 348.4459 14.11731 348.9280 17.93347 349.4101 21.46741 349.8922 24.49554 350.3744 26.14484 350.8565 26.80194 351.3386 28.04578 351.8207 31.39429 352.3028 35.51190 352.7849 38.02637 353.2671 38.92413 353.7492 39.69812 354.2313 41.29663 354.7134 43.70410 355.1955 46.99487 355.6776 51.69092 356.1598 56.76746 356.6419 61.02344 357.1240 64.71399 357.6061 69.18982 358.0882 75.69684 358.5703 83.21191 359.0525 90.60333 359.5346 97.42163 360.0167 104.5475 360.4988 111.8363 360.9809 119.7336 361.4630 129.1631 361.9452 141.9482 362.4273 155.2702 362.9094 166.8108 363.3915 175.3305 363.8736 186.7689 364.3557 206.0737 364.8379 228.2169 365.3200 247.2267 365.8021 262.6873 366.2842 273.9970 366.7663 280.5396 367.2484 282.3735 367.7306 281.0840 368.2127 277.1772 368.6948 270.0349 369.1769 259.2319 369.6590 242.0856 370.1411 224.5176 370.6233 205.5808 371.1054 186.0986 371.5875 169.2751 372.0696 155.3304 372.5517 144.0762 373.0338 135.5472 373.5160 130.4041 373.9981 125.9334 374.4802 121.7249 374.9623 118.5251 375.4444 118.2034 375.9265 122.4863 376.4087 124.7889 376.8908 122.4398 377.3729 115.6082 377.8550 110.7361 378.3371 108.7025 378.8192 106.5215 379.3014 101.1370 379.7835 92.43079 380.2656 82.76263 380.7477 72.20251 381.2298 61.48456 381.7119 52.70538 382.1941 45.85522 382.6762 38.95148 383.1583 29.84143 383.6404 19.40460 384.1225 11.44159 384.6046 6.677856 385.0868 3.869385 385.5689 2.259277 386.0510 1.394043 386.5331 0.1712650 387.0152 4.310242 387.4973 8.953369 387.9795 10.95740 388.4616 10.43921 388.9437 9.208191 389.4258 8.333374 389.9079 7.598694 390.3900 6.758789 390.8722 5.202637 391.3543 4.115906 391.8364 4.741394 392.3185 6.608215 392.8006 8.307617 393.2827 9.712769 393.7649 10.64563 394.2470 10.72711 394.7291 9.492798 395.2112 7.964966 395.6933 6.333862 396.1754 4.880859 396.6576 3.762878 397.1397 3.973877 397.6218 3.309692 398.1039 0.5279540 398.5860 4.554321 399.0681 7.608032 399.5503 5.176147 400.0324 2.630737 400.5145 3.888733 400.9966 12.60699 401.4787 20.02051 401.9608 25.57208 402.4430 29.20850 402.9251 31.01428 403.4072 29.76208 403.8893 29.35077 404.3714 31.29193 404.8535 35.98700 405.3357 40.96381 405.8178 46.17487 406.2999 51.65814 406.7820 57.40613 407.2641 63.40295 407.7462 69.61664 408.2284 75.78571 408.7105 82.09625 409.1926 90.96204 409.6747 102.8217 410.1568 114.0261 410.6389 120.0637 411.1211 122.0753 411.6032 127.1160 412.0853 136.8755 412.5674 149.1740 413.0495 161.9800 413.5316 175.1220 414.0138 187.3083 414.4959 196.5750 414.9780 205.0863 415.4601 216.1412 415.9422 230.1208 416.4243 245.0631 416.9065 260.2313 417.3886 275.2205 417.8707 289.0304 418.3528 299.1354 418.8349 310.2136 419.3170 325.7117 419.7992 345.1632 420.2813 365.3690 420.7634 385.8361 421.2455 406.4215 421.7276 426.9224 422.2097 447.2520 422.6919 468.0870 423.1740 489.2588 423.6561 511.1781 424.1382 535.0462 424.6203 561.2063 425.1024 588.5113 425.5846 616.9741 426.0667 646.4930 426.5488 676.7678 427.0309 706.1588 427.5130 738.1121 427.9951 775.4624 428.4773 820.8774 428.9594 865.5839 429.4415 907.3157 429.9236 948.5577 430.4057 996.0966 430.8878 1049.501 431.3700 1109.931 431.8521 1179.539 432.3342 1258.336 432.8163 1334.411 433.2984 1405.420 433.7805 1481.905 434.2627 1576.157 434.7448 1687.357 435.2269 1806.382 435.7090 1930.773 436.1911 2064.165 436.6732 2210.682 437.1554 2371.137 437.6375 2548.029 438.1196 2744.343 438.6017 2957.741 439.0838 3185.213 439.5659 3427.844 440.0480 3680.927 440.5302 3946.953 441.0123 4222.239 441.4944 4500.631 441.9765 4784.668 442.4586 5066.806 442.9407 5339.095 443.4229 5601.416 443.9050 5873.696 444.3871 6164.607 444.8692 6464.342 445.3513 6765.555 445.8334 7064.338 446.3156 7371.072 446.7977 7671.818 447.2798 7982.229 447.7619 8329.439 448.2440 8726.998 448.7261 9146.111 449.2083 9573.063 449.6904 10008.17 450.1725 10480.64 450.6546 10987.53 451.1367 11528.27 451.6188 12101.49 452.1010 12713.40 452.5831 13351.78 453.0652 14030.19 453.5473 14732.05 454.0294 15448.87 454.5115 16189.86 454.9937 16891.12 455.4758 17555.59 455.9579 18167.15 456.4400 18665.22 456.9221 19058.30 457.4042 19296.56 457.8864 19346.50 458.3685 19206.77 458.8506 18870.08 459.3327 18324.06 459.8148 17599.62 460.2969 16690.93 460.7791 15620.50 461.2612 14490.75 461.7433 13295.95 462.2254 12102.78 462.7075 10977.45 463.1896 9914.310 463.6718 8926.609 464.1539 8030.487 464.6360 7213.986 465.1181 6481.175 465.6002 5849.486 466.0823 5282.486 466.5645 4783.076 467.0466 4346.654 467.5287 3956.561 468.0108 3624.939 468.4929 3327.592 468.9750 3056.933 469.4572 2814.460 469.9393 2595.780 470.4214 2405.336 470.9035 2236.450 471.3856 2083.135 471.8677 1946.677 472.3499 1821.058 472.8320 1703.339 473.3141 1594.475 473.7962 1496.835 474.2783 1411.044 474.7604 1332.106 475.2426 1258.149 475.7247 1188.596 476.2068 1121.897 476.6889 1057.487 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