#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:11 +0300 (Thu, 24 May 2018) $ #$Revision: 857 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000344.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_1000344 loop_ _publ_author_name 'Nord, A. G.' 'Kierkegaard, P.' _publ_section_title ; The crystal structure of Mg3(PO4)2 Locality: synthetic ; _journal_name_full 'Acta Chemica Scandinavica' _journal_page_first 1466 _journal_page_last 1474 _journal_paper_doi 10.3891/acta.chem.scand.22-1466 _journal_volume 22 _journal_year 1968 _chemical_compound_source R130127 _chemical_formula_sum 'Mg3 O8 P2' _chemical_name_mineral Farringtonite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 94.05 _cell_angle_gamma 90 _cell_length_a 7.5957 _cell_length_b 8.2305 _cell_length_c 5.0775 _cell_volume 316.634 _exptl_crystal_density_diffrn 2.757 _cod_original_formula_sum 'Mg3 P2 O8' _cod_database_code 9012534 _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 R130127.rod _rod_data_source.block 3500000 _rod_database.code 1000344 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 9012534 COD http://www.crystallography.net/cod/9012534.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 89.84375 0.0000000E+00 90.32587 1.572403 90.80798 2.669373 91.29010 2.541565 91.77222 1.967667 92.25433 1.696320 92.73645 2.024689 93.21857 2.570587 93.70068 2.799698 94.18280 3.029907 94.66492 2.778595 95.14703 1.288849 95.62915 0.6973270 96.11127 0.8599240 96.59338 1.132782 97.07550 3.768951 97.55762 5.408432 98.03973 6.131203 98.52185 6.689018 99.00397 7.231369 99.48608 7.654343 99.96820 8.594818 100.4503 10.34728 100.9324 12.29292 101.4146 12.96172 101.8967 11.92619 102.3788 10.81462 102.8609 10.36240 103.3430 10.56110 103.8251 11.36623 104.3073 13.04401 104.7894 15.33373 105.2715 17.20135 105.7536 18.58470 106.2357 19.46308 106.7178 19.84790 107.2000 19.29774 107.6821 19.07388 108.1642 19.35062 108.6463 20.20148 109.1284 21.26635 109.6105 22.65512 110.0927 24.24465 110.5748 25.89666 111.0569 27.63126 111.5390 29.26768 112.0211 30.73027 112.5032 32.00482 112.9854 33.07095 113.4675 33.86839 113.9496 34.49588 114.4317 35.06406 114.9138 35.42023 115.3959 35.84808 115.8781 36.54655 116.3602 37.78016 116.8423 38.87135 117.3244 39.37053 117.8065 39.49094 118.2886 39.83319 118.7708 41.01353 119.2529 42.28127 119.7350 43.05515 120.2171 42.75562 120.6992 42.64484 121.1813 43.65168 121.6635 45.58490 122.1456 47.48461 122.6277 48.93846 123.1098 49.98590 123.5919 50.65439 124.0740 50.33178 124.5562 49.94861 125.0383 50.75266 125.5204 52.56045 126.0025 54.81413 126.4846 57.19580 126.9667 59.68025 127.4489 62.32449 127.9310 65.22659 128.4131 68.33912 128.8952 71.38679 129.3773 74.36073 129.8594 77.44096 130.3416 80.69362 130.8237 83.85423 131.3058 87.00460 131.7879 89.92943 132.2700 92.11128 132.7521 93.04848 133.2343 92.64812 133.7164 91.39473 134.1985 89.79475 134.6806 88.03664 135.1627 86.15942 135.6448 84.36704 136.1270 82.71354 136.6091 80.90347 137.0912 78.87622 137.5733 76.68090 138.0554 74.41454 138.5375 72.03452 139.0197 69.69978 139.5018 67.54533 139.9839 65.61925 140.4660 63.68581 140.9481 61.71989 141.4302 59.71950 141.9124 57.63935 142.3945 55.46686 142.8766 53.23528 143.3587 50.96087 143.8408 48.59515 144.3229 46.29854 144.8051 44.14089 145.2872 42.15060 145.7693 40.04183 146.2514 37.68188 146.7335 35.28270 147.2156 33.12440 147.6978 32.97285 148.1799 32.74213 148.6620 32.32767 149.1441 31.82274 149.6262 30.85879 150.1083 28.96093 150.5905 26.68549 151.0726 25.00810 151.5547 24.38142 152.0368 23.97110 152.5189 23.55705 153.0010 23.23731 153.4832 22.70904 153.9653 21.89206 154.4474 20.88203 154.9295 19.84618 155.4116 18.76611 155.8937 17.68483 156.3759 16.61619 156.8580 15.45602 157.3401 14.45010 157.8222 13.89695 158.3043 13.60791 158.7864 12.88755 159.2686 11.04406 159.7507 9.002979 160.2328 7.350990 160.7149 6.705063 161.1970 5.991024 161.6791 4.784775 162.1613 3.164787 162.6434 1.613625 163.1255 0.3426060 163.6076 0.7826420 164.0897 1.881882 164.5718 2.924957 165.0540 4.015617 165.5361 5.295975 166.0182 6.749504 166.5003 8.027508 166.9824 8.833275 167.4645 9.383244 167.9467 9.954113 168.4288 10.67183 168.9109 11.42768 169.3930 12.22766 169.8751 13.07819 170.3572 13.71144 170.8394 13.76682 171.3215 13.48280 171.8036 13.28669 172.2857 13.78454 172.7678 14.22653 173.2499 13.88050 173.7321 12.65095 174.2142 10.82821 174.6963 8.470284 175.1784 5.645683 175.6605 2.491234 176.1426 0.6264040 176.6248 4.092949 177.1069 8.506569 177.5890 14.05314 178.0711 20.09715 178.5532 25.84016 179.0353 31.52840 179.5175 37.72453 179.9996 45.33281 180.4817 53.61856 180.9638 61.33954 181.4459 68.31855 181.9280 74.83746 182.4102 81.44981 182.8923 87.99132 183.3744 94.45457 183.8565 100.7796 184.3386 106.9720 184.8207 112.6882 185.3029 117.8097 185.7850 122.7150 186.2671 128.1050 186.7492 133.9477 187.2313 140.2114 187.7134 147.2260 188.1956 154.8211 188.6777 161.5851 189.1598 167.0505 189.6419 172.0116 190.1240 178.4224 190.6061 186.4691 191.0883 194.5754 191.5704 201.4986 192.0525 207.4489 192.5346 213.5927 193.0167 219.9702 193.4988 226.5155 193.9810 232.4827 194.4631 237.5430 194.9452 242.6080 195.4273 246.5802 195.9094 249.4947 196.3915 252.9417 196.8737 257.3210 197.3558 262.3649 197.8379 267.4829 198.3200 272.7534 198.8021 277.6775 199.2842 281.5072 199.7664 284.2212 200.2485 287.2520 200.7306 291.1082 201.2127 295.5644 201.6948 299.5265 202.1769 303.0235 202.6591 306.0789 203.1412 308.5844 203.6233 310.5363 204.1054 312.2691 204.5875 313.7653 205.0696 315.0754 205.5518 316.7997 206.0339 319.1777 206.5160 321.4195 206.9981 322.5817 207.4802 322.3731 207.9623 322.2693 208.4445 322.8312 208.9266 324.0089 209.4087 323.9252 209.8908 322.2155 210.3729 319.9655 210.8550 318.3825 211.3372 317.6279 211.8193 316.8787 212.3014 315.9507 212.7835 314.8247 213.2656 313.6341 213.7477 312.3312 214.2299 311.0271 214.7120 309.7970 215.1941 308.6123 215.6762 307.6286 216.1583 306.9629 216.6404 306.5967 217.1226 306.0811 217.6047 305.3430 218.0868 304.5143 218.5689 303.8767 219.0510 303.6436 219.5331 303.0993 220.0153 302.0201 220.4974 300.3605 220.9795 298.8665 221.4616 297.8154 221.9437 296.6974 222.4258 294.8931 222.9080 292.1671 223.3901 289.2422 223.8722 286.3290 224.3543 283.5152 224.8364 280.1291 225.3185 275.7286 225.8007 271.1664 226.2828 267.5949 226.7649 265.5006 227.2470 263.3712 227.7291 260.7573 228.2112 257.6425 228.6934 254.4862 229.1755 251.4219 229.6576 248.2286 230.1397 244.5101 230.6218 239.9743 231.1039 235.5505 231.5861 231.5917 232.0682 228.2532 232.5503 224.7184 233.0324 220.7024 233.5145 216.8361 233.9966 213.9223 234.4788 212.2777 234.9609 210.9452 235.4430 209.8435 235.9251 209.0999 236.4072 207.3639 236.8893 203.7885 237.3715 199.8687 237.8536 197.5711 238.3357 197.8442 238.8178 198.0298 239.2999 197.3967 239.7820 195.7705 240.2642 194.4555 240.7463 193.6595 241.2284 192.9714 241.7105 191.8421 242.1926 189.9038 242.6747 188.1590 243.1569 186.8803 243.6390 186.1339 244.1211 185.3929 244.6032 185.0635 245.0853 184.4012 245.5674 182.3768 246.0496 177.9835 246.5317 174.1257 247.0138 171.6490 247.4959 170.7310 247.9780 169.2516 248.4601 166.9290 248.9423 164.3679 249.4244 162.2471 249.9065 160.7855 250.3886 159.3730 250.8707 157.8987 251.3528 156.3546 251.8350 154.8433 252.3171 153.4142 252.7992 151.9484 253.2813 150.2892 253.7634 148.2783 254.2455 146.3693 254.7277 144.6417 255.2098 143.0925 255.6919 141.6255 256.1740 140.2216 256.6561 138.8925 257.1382 137.7087 257.6204 136.9263 258.1025 135.6390 258.5846 133.4217 259.0667 130.3486 259.5488 128.0774 260.0309 126.8411 260.5131 126.0630 260.9952 125.2196 261.4773 124.2427 261.9594 123.4783 262.4415 123.0859 262.9236 123.0235 263.4058 122.5978 263.8879 121.8080 264.3700 120.7133 264.8521 119.3354 265.3342 117.5492 265.8163 115.8782 266.2985 114.3995 266.7806 113.0858 267.2627 111.9509 267.7448 111.2589 268.2269 110.1578 268.7090 107.7547 269.1912 103.5642 269.6733 100.1849 270.1554 98.20764 270.6375 97.19159 271.1196 95.26776 271.6017 92.13251 272.0839 88.91138 272.5660 86.46216 273.0481 84.93896 273.5302 83.11517 274.0123 80.71930 274.4944 78.06128 274.9766 76.18152 275.4587 75.30487 275.9408 74.36060 276.4229 72.51910 276.9050 69.68433 277.3871 67.39026 277.8693 65.96466 278.3514 64.89374 278.8335 62.87769 279.3156 59.75177 279.7977 56.67981 280.2798 54.12372 280.7620 52.08252 281.2441 51.14508 281.7262 51.74927 282.2083 52.70703 282.6904 51.53540 283.1725 48.06171 283.6547 44.85706 284.1368 43.43744 284.6189 43.62213 285.1010 43.22809 285.5831 42.04883 286.0652 40.73218 286.5474 40.70459 287.0295 41.91998 287.5116 42.07574 287.9937 39.32886 288.4758 34.35126 288.9579 31.23120 289.4401 30.13220 289.9222 29.91919 290.4043 29.45880 290.8864 28.75146 291.3685 27.77588 291.8506 26.34058 292.3328 24.64862 292.8149 23.32050 293.2970 22.37439 293.7791 21.55151 294.2612 20.67944 294.7433 19.72968 295.2255 18.54138 295.7076 16.78131 296.1897 14.90326 296.6718 13.88080 297.1539 13.69373 297.6360 13.77557 298.1182 13.85211 298.6003 13.82501 299.0824 13.43866 299.5645 12.37787 300.0466 11.19611 300.5287 10.81262 301.0109 11.12311 301.4930 11.43066 301.9751 11.06915 302.4572 10.38977 302.9393 9.994141 303.4214 10.14362 303.9036 10.40808 304.3857 10.32971 304.8678 9.973938 305.3499 9.600342 305.8320 9.057251 306.3141 8.703308 306.7963 9.105225 307.2784 10.64093 307.7605 12.14801 308.2426 12.61487 308.7247 12.31158 309.2068 11.84827 309.6890 11.20868 310.1711 10.72607 310.6532 10.80585 311.1353 11.58252 311.6174 12.35767 312.0995 12.33899 312.5817 11.99640 313.0638 12.08649 313.5459 13.41119 314.0280 15.01367 314.5101 16.52264 314.9922 17.92181 315.4744 18.85107 315.9565 18.36536 316.4386 17.55841 316.9207 17.65796 317.4028 20.69794 317.8849 23.28778 318.3671 23.75055 318.8492 22.14636 319.3313 20.59161 319.8134 20.20135 320.2955 19.99493 320.7776 19.20178 321.2598 16.84686 321.7419 14.64313 322.2240 13.11969 322.7061 12.12256 323.1882 10.84589 323.6703 8.474487 324.1525 6.200867 324.6346 4.697388 325.1167 4.512207 325.5988 4.589172 326.0809 5.233215 326.5630 6.078674 327.0452 6.221985 327.5273 4.578857 328.0094 3.117310 328.4915 2.579773 328.9736 3.453674 329.4557 4.203796 329.9379 5.129700 330.4200 5.880798 330.9021 5.781494 331.3842 3.900208 331.8663 2.265442 332.3484 1.533875 332.8306 1.929382 333.3127 1.863403 333.7948 0.9023440 334.2769 0.1583860 334.7590 0.3322750 335.2411 0.7854610 335.7233 1.956238 336.2054 3.190002 336.6875 4.435730 337.1696 4.404907 337.6517 2.407898 338.1339 0.3995970 338.6160 0.1999510 339.0981 2.226074 339.5802 4.131897 340.0623 5.526428 340.5444 6.599854 341.0266 8.000549 341.5087 9.888855 341.9908 11.38123 342.4729 11.72467 342.9550 10.90472 343.4371 10.29993 343.9193 9.973267 344.4014 9.982300 344.8835 10.62006 345.3656 11.87610 345.8477 12.94312 346.3298 13.35944 346.8120 13.21198 347.2941 12.77686 347.7762 12.00006 348.2583 11.51379 348.7404 12.44641 349.2225 14.43311 349.7047 15.93536 350.1868 16.05005 350.6689 15.47131 351.1510 15.43451 351.6331 15.91840 352.1152 16.51489 352.5974 16.91510 353.0795 17.18610 353.5616 17.48364 354.0437 17.98749 354.5258 18.34924 355.0079 18.27710 355.4901 17.77802 355.9722 16.89233 356.4543 14.94562 356.9364 12.96661 357.4185 12.26996 357.9006 13.73273 358.3828 14.75708 358.8649 12.77753 359.3470 9.210510 359.8291 6.907043 360.3112 8.576111 360.7933 10.78113 361.2755 11.38458 361.7576 9.977722 362.2397 8.480286 362.7218 7.745605 363.2039 7.249817 363.6860 6.410767 364.1682 4.656555 364.6503 2.930603 365.1324 1.452087 365.6145 0.2225340 366.0966 0.6078490 366.5787 0.4705810 367.0609 0.2619020 367.5430 0.5552370 368.0251 1.929871 368.5072 3.179138 368.9893 4.517944 369.4714 5.714294 369.9536 5.892944 370.4357 3.842957 370.9178 2.047852 371.3999 1.582397 371.8820 3.082520 372.3641 4.273376 372.8463 5.146606 373.3284 5.708862 373.8105 5.905701 374.2926 5.517578 374.7747 5.262817 375.2568 5.506226 375.7390 6.259094 376.2211 6.122986 376.7032 4.781006 377.1853 3.372864 377.6674 3.110046 378.1495 4.145386 378.6317 4.742676 379.1138 4.486511 379.5959 3.637451 380.0780 2.970886 380.5601 2.528992 381.0422 2.131775 381.5244 1.345764 382.0065 0.3328860 382.4886 0.3482670 382.9707 1.756348 383.4528 3.479431 383.9349 3.959290 384.4171 3.360474 384.8992 2.585999 385.3813 1.965942 385.8634 1.490234 386.3455 1.091797 386.8276 0.7512210 387.3098 0.5886230 387.7919 1.119751 388.2740 1.870361 388.7561 1.973999 389.2382 0.8049320 389.7203 0.7202760 390.2025 1.792175 390.6846 2.520508 391.1667 3.425537 391.6488 5.670532 392.1309 7.701477 392.6130 8.025940 393.0952 5.573242 393.5773 3.231750 394.0594 2.062256 394.5415 1.817444 395.0236 2.101379 395.5057 3.527344 395.9879 4.881714 396.4700 5.668640 396.9521 5.802490 397.4342 5.763245 397.9163 5.430054 398.3984 5.014648 398.8806 4.720825 399.3627 4.633423 399.8448 4.609131 400.3269 4.702637 400.8090 4.901001 401.2911 4.981079 401.7733 4.759033 402.2554 4.571045 402.7375 4.560425 403.2196 4.574768 403.7017 5.290466 404.1838 7.126343 404.6660 9.335571 405.1481 10.28851 405.6302 9.604553 406.1123 9.153259 406.5944 9.792175 407.0765 11.44702 407.5587 12.08789 408.0408 11.49792 408.5229 10.73926 409.0050 10.99695 409.4871 12.19257 409.9692 13.24451 410.4514 13.71838 410.9335 14.12292 411.4156 15.81342 411.8977 18.65173 412.3798 21.26587 412.8619 22.42822 413.3441 22.75525 413.8262 23.55505 414.3083 25.09137 414.7904 26.55725 415.2725 26.69025 415.7546 26.19647 416.2368 26.54364 416.7189 29.33789 417.2010 32.55817 417.6831 34.59967 418.1652 35.46875 418.6473 36.11316 419.1295 36.82568 419.6116 37.64111 420.0937 38.63916 420.5758 40.50873 421.0579 41.60175 421.5400 40.97766 422.0222 39.19019 422.5043 37.58691 422.9864 37.05115 423.4685 36.28436 423.9506 34.72900 424.4327 32.17444 424.9149 29.54041 425.3970 26.57275 425.8791 23.66760 426.3612 21.14722 426.8433 18.53082 427.3254 17.12561 427.8076 17.69299 428.2897 19.92651 428.7718 20.99310 429.2539 20.50476 429.7360 19.37299 430.2181 18.11786 430.7003 16.74011 431.1824 15.25293 431.6645 13.63818 432.1466 12.01263 432.6287 10.34729 433.1108 8.624084 433.5930 7.633911 434.0751 8.185913 434.5572 9.757141 435.0393 10.32709 435.5214 9.835999 436.0035 9.069336 436.4857 8.396362 436.9678 8.082031 437.4499 8.932495 437.9320 11.71686 438.4141 14.47382 438.8962 14.82434 439.3784 13.34546 439.8605 11.70435 440.3426 10.40979 440.8247 9.432190 441.3068 8.804688 441.7889 8.601807 442.2711 8.642639 442.7532 9.226563 443.2353 9.823120 443.7174 9.883179 444.1995 8.672791 444.6816 7.501587 445.1638 6.594604 445.6459 5.950195 446.1280 5.649048 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