#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:14 +0300 (Thu, 24 May 2018) $ #$Revision: 815 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000305.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_1000305 loop_ _publ_author_name 'Mills, S.' 'Mumme, G.' 'Grey, I.' 'Bordet, P.' _publ_section_title ; The crystal structure of perhamite Note: H positions unknown Locality: Emmons mine, Greenwood, Maine ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 201 _journal_page_last 209 _journal_paper_doi 10.1180/0026461067020324 _journal_volume 70 _journal_year 2006 _chemical_compound_source R110142 _chemical_formula_sum 'Al7.7 Ca2.7 H12.68 O45.862 P4 Si3 Sr0.3' _chemical_name_mineral Perhamite _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 7.021 _cell_length_b 7.021 _cell_length_c 20.218 _cell_volume 863.111 _exptl_crystal_density_diffrn 2.495 _cod_original_formula_sum 'Ca2.7 Sr.3 P4 Al7.7 Si3 O45.862 H12.68' _cod_database_code 9011829 _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 R110142.rod _rod_data_source.block 3500000 _rod_database.code 1000305 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 9011829 COD http://www.crystallography.net/cod/9011829.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 186.4334 0.0000000E+00 186.9155 19.29785 187.3976 39.56641 187.8798 60.96338 188.3619 82.92090 188.8440 102.0547 189.3261 113.5039 189.8082 115.7700 190.2903 114.3794 190.7725 112.2305 191.2546 113.7358 191.7367 114.4634 192.2188 104.8135 192.7009 92.28857 193.1830 74.51758 193.6652 51.51660 194.1473 30.49072 194.6294 15.35986 195.1115 5.819824 195.5936 0.9082030 196.0757 5.044434 196.5579 6.508301 197.0400 4.606934 197.5221 0.8242190 198.0042 7.375977 198.4863 13.74854 198.9684 19.90332 199.4506 27.44238 199.9327 36.82715 200.4148 47.22607 200.8969 56.70068 201.3790 65.29590 201.8611 72.94775 202.3433 80.11621 202.8254 87.01709 203.3075 91.14795 203.7896 91.59570 204.2717 89.72461 204.7538 89.28906 205.2360 90.83789 205.7181 91.37793 206.2002 88.02539 206.6823 79.60010 207.1644 75.07715 207.6465 77.30029 208.1287 83.45215 208.6108 85.23291 209.0929 81.72607 209.5750 76.23438 210.0571 70.29150 210.5392 63.47559 211.0214 58.33984 211.5035 55.94531 211.9856 55.24023 212.4677 51.97607 212.9498 44.99023 213.4319 38.61523 213.9140 36.95557 214.3962 41.31055 214.8783 43.81445 215.3604 43.66602 215.8425 39.54004 216.3246 36.78418 216.8067 37.57764 217.2889 38.08887 217.7710 35.36426 218.2531 27.33838 218.7352 21.89062 219.2173 19.97266 219.6994 20.95117 220.1816 22.01660 220.6637 22.58301 221.1458 23.93408 221.6279 27.56787 222.1100 36.02246 222.5921 39.80371 223.0743 36.91309 223.5564 28.78760 224.0385 21.92188 224.5206 16.95605 225.0027 12.67041 225.4848 7.943848 225.9670 1.119141 226.4491 1.356934 226.9312 3.231934 227.4133 12.86963 227.8954 17.57227 228.3775 14.92871 228.8597 10.80762 229.3418 8.797363 229.8239 10.13965 230.3060 10.37354 230.7881 7.848145 231.2702 3.647461 231.7524 3.521484 232.2345 9.226563 232.7166 16.09033 233.1987 21.48584 233.6808 25.41748 234.1629 27.27246 234.6451 25.75830 235.1272 21.93018 235.6093 21.05371 236.0914 25.78125 236.5735 29.83984 237.0556 29.48779 237.5378 22.40137 238.0199 16.28418 238.5020 12.01465 238.9841 9.207520 239.4662 6.075684 239.9483 2.608887 240.4305 0.7524410 240.9126 3.789063 241.3947 6.542969 241.8768 8.479492 242.3589 9.274414 242.8410 9.185059 243.3232 9.440918 243.8053 11.72266 244.2874 12.15234 244.7695 8.169434 245.2516 3.533203 245.7337 11.66309 246.2159 14.33594 246.6980 13.18945 247.1801 13.79834 247.6622 17.62061 248.1443 20.77100 248.6264 20.82471 249.1086 15.00146 249.5907 12.68115 250.0728 14.86572 250.5549 20.50195 251.0370 27.09082 251.5191 35.99121 252.0013 43.97363 252.4834 49.52197 252.9655 51.34424 253.4476 54.12549 253.9297 57.71240 254.4118 62.37402 254.8940 69.10791 255.3761 79.90137 255.8582 89.38867 256.3403 94.27344 256.8224 91.22217 257.3046 94.65381 257.7867 107.3652 258.2688 124.4790 258.7509 136.2700 259.2330 140.3174 259.7151 143.4658 260.1973 148.8413 260.6794 157.6377 261.1615 162.1890 261.6436 160.4482 262.1257 156.2583 262.6078 156.2383 263.0900 161.6816 263.5721 168.5859 264.0542 175.8755 264.5363 183.9087 265.0184 191.8604 265.5005 200.4863 265.9827 208.6626 266.4648 213.7793 266.9469 213.3306 267.4290 217.2534 267.9111 230.5527 268.3932 254.0381 268.8754 271.2285 269.3575 280.8208 269.8396 285.8765 270.3217 289.5767 270.8038 291.5459 271.2859 292.6084 271.7681 292.0811 272.2502 290.0063 272.7323 291.4351 273.2144 297.6279 273.6965 304.5439 274.1786 308.2085 274.6608 308.6309 275.1429 305.9492 275.6250 299.1479 276.1071 289.0156 276.5892 281.0898 277.0714 276.2026 277.5535 271.4692 278.0356 263.9507 278.5177 253.3457 278.9998 242.4902 279.4819 231.2822 279.9641 220.2993 280.4462 214.4092 280.9283 215.3770 281.4104 213.6460 281.8925 198.6572 282.3746 170.2026 282.8568 147.2549 283.3389 134.7681 283.8210 128.4878 284.3031 115.5591 284.7852 95.57861 285.2673 76.45654 285.7495 64.21631 286.2316 58.54443 286.7137 54.09814 287.1958 50.45361 287.6779 47.51611 288.1600 44.76514 288.6422 42.15576 289.1243 40.69775 289.6064 41.89209 290.0885 44.96826 290.5706 45.88037 291.0527 43.66016 291.5349 40.13428 292.0170 38.22949 292.4991 37.71387 292.9812 37.14795 293.4633 35.39551 293.9454 32.88477 294.4276 31.21484 294.9097 30.63330 295.3918 30.28369 295.8739 28.76758 296.3560 26.43506 296.8381 24.82422 297.3203 24.05322 297.8024 24.65625 298.2845 28.88184 298.7666 37.15088 299.2487 44.62842 299.7308 45.44092 300.2130 41.54395 300.6951 38.35449 301.1772 38.19385 301.6593 39.69580 302.1414 41.82910 302.6235 44.75488 303.1057 47.33447 303.5878 46.78955 304.0699 44.70557 304.5520 44.14307 305.0341 47.98389 305.5162 52.07520 305.9984 51.49121 306.4805 46.79004 306.9626 41.75732 307.4447 37.32812 307.9268 34.63770 308.4089 35.88281 308.8911 44.76904 309.3732 52.90479 309.8553 52.38379 310.3374 45.17529 310.8195 37.87451 311.3016 34.04541 311.7838 31.91699 312.2659 29.63916 312.7480 26.12012 313.2301 24.12402 313.7122 26.11572 314.1943 30.80811 314.6765 35.45508 315.1586 41.29053 315.6407 44.99219 316.1228 43.49609 316.6049 35.02930 317.0870 27.46582 317.5692 26.52637 318.0513 28.17139 318.5334 26.73486 319.0155 15.74121 319.4976 5.296387 319.9797 0.1938480 320.4619 0.2148440 320.9440 1.909180 321.4261 7.551270 321.9082 13.74512 322.3903 17.63477 322.8724 16.52734 323.3546 14.99512 323.8367 14.48682 324.3188 14.92725 324.8009 14.07422 325.2830 10.67676 325.7651 6.532715 326.2473 2.844727 326.7294 0.2524410 327.2115 2.607422 327.6936 3.946289 328.1757 4.231445 328.6578 3.818359 329.1400 2.432129 329.6221 0.2939450 330.1042 2.807617 330.5863 9.850586 331.0684 12.84277 331.5505 8.211426 332.0327 3.9551001E-02 332.5148 2.370605 332.9969 4.179688 333.4790 11.73340 333.9611 17.31738 334.4432 19.67334 334.9254 24.36914 335.4075 32.96484 335.8896 42.12793 336.3717 47.17285 336.8538 46.59570 337.3359 44.84277 337.8180 42.83887 338.3001 40.71533 338.7823 41.74121 339.2644 47.63916 339.7465 54.14062 340.2286 56.44189 340.7107 53.63721 341.1928 49.19629 341.6750 43.27246 342.1571 37.25000 342.6392 36.59229 343.1213 42.40088 343.6034 48.93359 344.0855 50.49268 344.5677 46.54492 345.0498 43.86670 345.5319 43.75830 346.0140 46.41699 346.4961 52.03125 346.9782 60.13965 347.4604 67.88330 347.9425 73.15674 348.4246 77.11768 348.9067 84.36377 349.3888 95.51855 349.8709 107.4912 350.3531 117.0776 350.8352 124.7954 351.3173 132.3315 351.7994 139.5903 352.2815 147.5293 352.7636 157.7119 353.2458 169.8198 353.7279 183.0640 354.2100 196.7539 354.6921 211.0405 355.1742 226.2827 355.6563 243.6475 356.1385 261.0020 356.6206 276.8477 357.1027 291.1694 357.5848 303.5693 358.0669 312.6597 358.5490 320.4893 359.0312 329.4980 359.5133 341.8833 359.9954 352.0181 360.4775 356.4214 360.9596 356.3682 361.4417 354.4336 361.9239 350.1587 362.4060 345.8247 362.8881 342.8770 363.3702 341.6147 363.8523 340.2202 364.3344 337.9150 364.8166 334.8687 365.2987 331.5039 365.7808 325.9570 366.2629 322.3672 366.7450 323.3188 367.2271 328.7559 367.7093 331.4375 368.1914 327.1372 368.6735 321.8408 369.1556 319.4121 369.6377 323.2808 370.1198 325.7939 370.6020 326.9058 371.0841 326.3916 371.5662 323.4243 372.0483 316.3511 372.5304 308.7192 373.0125 302.3027 373.4947 298.6724 373.9768 291.5288 374.4589 279.7427 374.9410 265.2778 375.4231 251.0547 375.9052 236.5273 376.3874 223.9409 376.8695 214.6343 377.3516 208.5547 377.8337 202.2603 378.3158 195.7388 378.7979 189.3804 379.2801 184.8179 379.7622 182.3618 380.2443 175.0532 380.7264 159.2588 381.2085 139.5728 381.6906 128.2798 382.1728 125.4067 382.6549 126.0679 383.1370 129.0503 383.6191 133.0234 384.1012 132.9224 384.5833 127.8066 385.0655 119.2651 385.5476 107.2661 386.0297 93.02002 386.5118 81.67334 386.9939 77.72754 387.4760 77.29199 387.9582 75.09082 388.4403 71.04395 388.9224 65.71191 389.4045 58.66260 389.8866 51.03125 390.3687 44.35156 390.8509 40.10010 391.3330 36.40576 391.8151 32.71191 392.2972 28.77344 392.7793 23.37061 393.2614 11.93604 393.7436 1.354492 394.2257 2.928223 394.7078 2.815430 395.1899 7.982910 395.6720 9.043457 396.1541 7.010742 396.6363 3.545410 397.1184 5.600586 397.6005 11.88721 398.0826 11.10254 398.5647 2.013184 399.0468 4.945801 399.5290 10.66211 400.0111 12.78760 400.4932 9.206543 400.9753 10.24756 401.4574 21.45557 401.9395 18.22803 402.4217 4.196777 402.9038 2.919922 403.3859 1.335449 403.8680 5.883789 404.3501 4.474609 404.8322 6.130859 405.3144 10.72656 405.7965 7.013672 406.2786 6.3477002E-02 406.7607 2.166992 407.2428 1.692383 407.7249 4.988281 408.2071 5.316895 408.6892 3.149902 409.1713 0.9316410 409.6534 1.642090 410.1355 2.690918 410.6176 0.7348630 411.0998 7.701660 411.5819 12.76562 412.0640 14.66992 412.5461 14.47363 413.0282 13.01123 413.5103 10.60840 413.9925 9.223145 414.4746 11.22314 414.9567 14.54785 415.4388 15.93262 415.9209 15.04883 416.4030 13.12744 416.8852 10.40430 417.3673 7.519531 417.8494 5.497070 418.3315 6.964844 418.8136 7.715820 419.2957 4.244141 419.7779 2.714355 420.2600 8.855469 420.7421 12.87793 421.2242 14.73926 421.7063 14.11035 422.1884 9.536621 422.6706 4.940918 423.1527 0.7807620 423.6348 2.779785 424.1169 5.421875 424.5990 6.491699 425.0811 7.169922 425.5633 7.001953 426.0454 5.353027 426.5275 6.786621 427.0096 13.79639 427.4917 21.70312 427.9738 26.37549 428.4560 25.23145 428.9381 26.06494 429.4202 30.59473 429.9023 37.37305 430.3844 41.73779 430.8665 43.10205 431.3487 43.60742 431.8308 45.02246 432.3129 47.60889 432.7950 45.66162 433.2771 37.86084 433.7592 29.12305 434.2414 27.08594 434.7235 31.10205 435.2056 32.52686 435.6877 27.45605 436.1698 19.05176 436.6519 13.61084 437.1341 11.12549 437.6162 10.26465 438.0983 12.03174 438.5804 14.34277 439.0625 12.68945 439.5446 5.037109 440.0268 2.164551 440.5089 2.115234 440.9910 2.582520 441.4731 6.578613 441.9552 6.982422 442.4373 6.235840 442.9195 5.624512 443.4016 5.151367 443.8837 4.842285 444.3658 3.279785 444.8479 2.507813 445.3300 4.250488 445.8122 13.24219 446.2943 18.82031 446.7764 16.51514 447.2585 9.382324 447.7406 5.310059 448.2227 6.631836 448.7049 9.338867 449.1870 12.79102 449.6691 17.31836 450.1512 20.80176 450.6333 23.49854 451.1154 25.02979 451.5976 24.60107 452.0797 21.49609 452.5618 19.42773 453.0439 18.89404 453.5260 19.49902 454.0081 20.01855 454.4903 20.32861 454.9724 20.93457 455.4545 22.40283 455.9366 25.06055 456.4187 29.11035 456.9008 34.17041 457.3830 40.21875 457.8651 47.43750 458.3472 55.68164 458.8293 63.67627 459.3114 72.36133 459.7935 80.48828 460.2757 85.73877 460.7578 88.04492 461.2399 89.42578 461.7220 90.40576 462.2041 92.02051 462.6862 95.51855 463.1684 100.9731 463.6505 106.5845 464.1326 112.6348 464.6147 117.8608 465.0968 120.9668 465.5789 121.0229 466.0611 119.1348 466.5432 115.1133 467.0253 109.1787 467.5074 103.2358 467.9895 99.93262 468.4716 95.19922 468.9538 86.20947 469.4359 68.16211 469.9180 56.46924 470.4001 53.53027 470.8822 55.04053 471.3643 54.90674 471.8465 53.10400 472.3286 49.18555 472.8107 41.87109 473.2928 32.19287 473.7749 25.95605 474.2570 23.40234 474.7392 22.95605 475.2213 24.16895 475.7034 26.76660 476.1855 28.89941 476.6676 30.40771 477.1497 31.56934 477.6319 32.74170 478.1140 33.63867 478.5961 33.68506 479.0782 30.98730 479.5603 28.66260 480.0424 31.06201 480.5246 37.73535 481.0067 44.86914 481.4888 48.58545 481.9709 52.13184 482.4530 58.53809 482.9352 69.01953 483.4173 80.60645 483.8994 93.38232 484.3815 106.1968 484.8636 117.1831 485.3457 123.9258 485.8279 130.7422 486.3100 138.4692 486.7921 147.2471 487.2742 157.2715 487.7563 168.5884 488.2384 181.4863 488.7206 196.4775 489.2027 215.0972 489.6848 231.5591 490.1669 244.6152 490.6490 256.9653 491.1311 273.3501 491.6133 294.0234 492.0954 316.0806 492.5775 339.2329 493.0596 362.8579 493.5417 384.5942 494.0238 404.2222 494.5060 424.1675 494.9881 445.4150 495.4702 468.0835 495.9523 493.3799 496.4344 521.3394 496.9165 551.2329 497.3987 584.9712 497.8808 619.9453 498.3629 650.6973 498.8450 673.3389 499.3271 692.5859 499.8092 710.6099 500.2914 727.7646 500.7735 743.9609 501.2556 760.2803 501.7377 775.4590 502.2198 789.1641 502.7019 802.6011 503.1841 812.0713 503.6662 816.7031 504.1483 817.4224 504.6304 814.9307 505.1125 805.9678 505.5946 799.3262 506.0768 797.9404 506.5589 799.9971 507.0410 795.7505 507.5231 782.9775 508.0052 769.9194 508.4873 760.2266 508.9695 753.9702 509.4516 751.3564 509.9337 753.0688 510.4158 754.4785 510.8979 748.9541 511.3800 738.1665 511.8622 729.5337 512.3443 725.6465 512.8264 723.2910 513.3085 718.4492 513.7906 711.5737 514.2728 704.2900 514.7549 699.3306 515.2370 693.6436 515.7191 683.8735 516.2012 669.3257 516.6833 653.9141 517.1655 639.5356 517.6476 625.4355 518.1297 610.8745 518.6118 595.1821 519.0939 579.6895 519.5760 566.3940 520.0582 553.4893 520.5403 536.0825 521.0224 509.3862 521.5045 485.1265 521.9866 467.2266 522.4688 455.5557 522.9509 441.8335 523.4330 425.4185 523.9151 407.9912 524.3972 389.8564 524.8793 370.9639 525.3615 355.3853 525.8436 343.8032 526.3257 334.1582 526.8078 324.7817 527.2899 315.1519 527.7720 302.9531 528.2542 286.3315 528.7363 267.5103 529.2184 248.4614 529.7005 229.5234 530.1826 211.6421 530.6647 194.9624 531.1469 180.0273 531.6290 166.9102 532.1111 155.6030 532.5932 147.1484 533.0753 145.0942 533.5574 144.8862 534.0396 141.8242 534.5217 132.2710 535.0038 123.2949 535.4859 115.9922 535.9680 110.0283 536.4501 104.2095 536.9323 98.66309 537.4144 92.96826 537.8965 85.80908 538.3786 76.96533 538.8607 76.01562 539.3428 85.24121 539.8250 95.05371 540.3071 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567.3056 0.8183590 567.7877 3.252441 568.2698 1.888184 568.7520 4.532227 569.2341 9.947266 569.7162 11.58252 570.1983 10.97314 570.6804 10.21289 571.1625 9.397461 571.6447 9.721191 572.1268 14.22314 572.6089 18.79395 573.0910 18.62012 573.5731 12.46875 574.0552 6.770508 574.5374 5.026855 575.0195 4.814453 575.5016 3.889648 575.9837 2.356445 576.4658 0.3066410 576.9479 4.667480 577.4301 9.794922 577.9122 13.86914 578.3943 15.90527 578.8764 18.43750 579.3585 22.44922 579.8406 27.45312 580.3228 30.64990 580.8049 31.98389 581.2870 31.75342 581.7691 28.62695 582.2512 23.97266 582.7333 24.43359 583.2155 31.11279 583.6975 37.04248 584.1796 34.13574 584.6617 26.63721 585.1439 21.46973 585.6260 21.04688 586.1081 22.74414 586.5902 28.45361 587.0723 34.86084 587.5544 35.48486 588.0366 18.90576 588.5187 5.541992 589.0008 3.992188 589.4829 13.65723 589.9650 19.48975 590.4471 19.18115 590.9293 17.79785 591.4114 17.29248 591.8935 17.39746 592.3756 18.91406 592.8577 22.52344 593.3398 25.91748 593.8220 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