#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:00:14 +0300 (Thu, 26 Apr 2018) $ #$Revision: 589 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000129.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_1000129 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 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 R110142.rod _rod_data_source.block 3500000 _rod_database.code 1000129 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 94.49622 0.0000000E+00 94.97833 4.495972 95.46045 10.62433 95.94257 18.07068 96.42468 20.88470 96.90680 15.95337 97.38892 11.69727 97.87103 11.10034 98.35315 13.24878 98.83527 16.08508 99.31738 16.04852 99.79950 12.95508 100.2816 9.804382 100.7637 7.066833 101.2458 4.755371 101.7280 2.574402 102.2101 0.4197390 102.6922 0.6079710 103.1743 0.7052610 103.6564 0.2341310 104.1385 0.9301760 104.6207 2.760376 105.1028 5.513184 105.5849 7.914185 106.0670 9.203308 106.5491 9.764709 107.0313 9.825745 107.5134 9.191956 107.9955 8.352661 108.4776 8.097656 108.9597 8.904846 109.4418 8.908752 109.9240 6.303101 110.4061 3.356689 110.8882 1.750854 111.3703 2.077759 111.8524 3.519348 112.3345 4.221252 112.8167 2.857300 113.2988 2.607910 113.7809 5.177979 114.2630 9.562317 114.7451 13.87610 115.2272 16.61273 115.7094 17.68378 116.1915 18.15472 116.6736 19.01154 117.1557 19.67664 117.6378 19.82074 118.1199 20.09070 118.6021 20.64545 119.0842 21.27533 119.5663 22.10193 120.0484 23.12354 120.5305 24.58221 121.0126 26.01184 121.4948 27.47894 121.9769 29.08215 122.4590 30.09918 122.9411 29.16699 123.4232 26.86401 123.9053 24.95776 124.3875 24.72174 124.8696 25.38055 125.3517 24.62927 125.8338 21.36700 126.3159 17.72559 126.7980 15.01434 127.2802 13.21191 127.7623 12.20233 128.2444 12.27045 128.7265 13.58929 129.2086 14.18842 129.6907 13.15289 130.1729 11.88452 130.6550 11.19769 131.1371 11.10168 131.6192 10.87024 132.1013 9.368286 132.5834 5.497681 133.0656 2.479736 133.5477 0.5463260 134.0298 0.7901610 134.5119 1.850464 134.9940 2.749939 135.4761 3.464478 135.9583 3.924500 136.4404 4.645142 136.9225 4.399658 137.4046 2.406494 137.8867 0.4606320 138.3688 3.128357 138.8510 5.227905 139.3331 6.554382 139.8152 6.340027 140.2973 3.804810 140.7794 1.238953 141.2615 0.6058960 141.7437 1.745361 142.2258 2.251099 142.7079 1.972107 143.1900 1.102966 143.6721 0.1382450 144.1542 1.109619 144.6364 2.185242 145.1185 2.414063 145.6006 1.607483 146.0827 1.143127 146.5648 2.427368 147.0469 4.221802 147.5291 5.201599 148.0112 4.709839 148.4933 3.348022 148.9754 2.395325 149.4575 1.794617 149.9396 1.796143 150.4218 2.677063 150.9039 4.036865 151.3860 5.350220 151.8681 6.300415 152.3502 7.752197 152.8323 9.289429 153.3145 11.13257 153.7966 12.83777 154.2787 14.32959 154.7608 15.61023 155.2429 16.66772 155.7250 17.44275 156.2072 17.87958 156.6893 18.85687 157.1714 21.14880 157.6535 23.15979 158.1356 23.61493 158.6177 22.90546 159.0999 22.86823 159.5820 25.47217 160.0641 31.34076 160.5462 35.09180 161.0283 35.01306 161.5104 34.19977 161.9926 35.08032 162.4747 37.95465 162.9568 41.34192 163.4389 43.61694 163.9210 44.84064 164.4031 46.30652 164.8853 48.43854 165.3674 50.87579 165.8495 53.16693 166.3316 55.36511 166.8137 57.12311 167.2958 57.96387 167.7780 58.05237 168.2601 57.92242 168.7422 57.52039 169.2243 57.06500 169.7064 57.39655 170.1885 59.04810 170.6707 60.91766 171.1528 62.48120 171.6349 63.74023 172.1170 64.62708 172.5991 64.75439 173.0812 64.03656 173.5634 64.10229 174.0455 65.88800 174.5276 67.87640 175.0097 69.59076 175.4918 70.94342 175.9739 71.95148 176.4561 72.34998 176.9382 71.50922 177.4203 72.31390 177.9024 76.01282 178.3845 80.17627 178.8666 83.54962 179.3488 85.95837 179.8309 88.02948 180.3130 90.59241 180.7951 93.99622 181.2772 97.07147 181.7593 99.29456 182.2415 101.5670 182.7236 104.6595 183.2057 108.7093 183.6878 113.1406 184.1699 117.0931 184.6520 120.2416 185.1342 123.5496 185.6163 127.3588 186.0984 131.2248 186.5805 134.6193 187.0626 137.3624 187.5447 139.7385 188.0269 142.3772 188.5090 145.6414 188.9911 147.8829 189.4732 148.5026 189.9553 147.8745 190.4374 146.5645 190.9196 144.6207 191.4017 142.1666 191.8838 139.5051 192.3659 136.7601 192.8480 133.2595 193.3301 128.0833 193.8123 121.7674 194.2944 116.2374 194.7765 112.3239 195.2586 109.2443 195.7407 106.0153 196.2228 102.5320 196.7050 99.11407 197.1871 95.96918 197.6692 93.08539 198.1513 90.42047 198.6334 87.87488 199.1155 85.60614 199.5977 83.83911 200.0798 82.60547 200.5619 81.65778 201.0440 80.64374 201.5261 79.46356 202.0082 78.92615 202.4904 80.13635 202.9725 81.22620 203.4546 81.18170 203.9367 79.92145 204.4188 78.09491 204.9009 76.32654 205.3831 74.41040 205.8652 73.19916 206.3473 73.44690 206.8294 73.78601 207.3115 73.44202 207.7936 72.29742 208.2758 70.72437 208.7579 69.17297 209.2400 67.40369 209.7221 66.23230 210.2042 66.59277 210.6863 66.80841 211.1685 65.33960 211.6506 62.06396 212.1327 58.43781 212.6148 56.62445 213.0969 58.01044 213.5790 58.40393 214.0612 57.20111 214.5433 55.46741 215.0254 54.01996 215.5075 53.05603 215.9896 52.22833 216.4717 51.08588 216.9539 49.55096 217.4360 47.76617 217.9181 45.53339 218.4002 43.14813 218.8823 40.64551 219.3644 38.03546 219.8466 35.93286 220.3287 35.60034 220.8108 37.59570 221.2929 38.10065 221.7750 35.30933 222.2571 31.25275 222.7393 28.54462 223.2214 27.83765 223.7035 27.84076 224.1856 27.03589 224.6677 25.50342 225.1498 23.89594 225.6320 21.90210 226.1141 20.05188 226.5962 19.60931 227.0783 21.30719 227.5604 22.84637 228.0425 21.06488 228.5247 16.82202 229.0068 13.65106 229.4889 13.84985 229.9710 16.00543 230.4531 16.81726 230.9352 15.43713 231.4174 13.81439 231.8995 13.68506 232.3816 14.55377 232.8637 15.07959 233.3458 14.44641 233.8279 12.95483 234.3101 11.56573 234.7922 10.40656 235.2743 9.186707 235.7564 7.195129 236.2385 5.014526 236.7206 3.902893 237.2028 5.196167 237.6849 8.175415 238.1670 9.757935 238.6491 9.486267 239.1312 8.333679 239.6133 6.113525 240.0955 3.499878 240.5776 1.651184 241.0597 1.514160 241.5418 2.624756 242.0239 2.688416 242.5060 0.7694700 242.9882 0.9647220 243.4703 2.043518 243.9524 2.526062 244.4345 2.483215 244.9166 1.897949 245.3987 0.8858640 245.8809 7.8739999E-03 246.3630 0.4210210 246.8451 1.140625 247.3272 2.711609 247.8093 4.533203 248.2914 5.763123 248.7736 5.911011 249.2557 5.283569 249.7378 5.140381 250.2199 6.049316 250.7020 6.761108 251.1841 6.910461 251.6663 6.847290 252.1484 6.992798 252.6305 7.551331 253.1126 8.419128 253.5947 9.289001 254.0768 10.72858 254.5590 11.41394 255.0411 10.33490 255.5232 8.831543 256.0053 8.487549 256.4874 9.970459 256.9695 12.57013 257.4517 14.56671 257.9338 14.97656 258.4159 15.94983 258.8980 18.08069 259.3801 20.52991 259.8622 22.42096 260.3444 23.45050 260.8265 23.94373 261.3086 24.48999 261.7907 24.92804 262.2728 25.71588 262.7549 27.43481 263.2371 29.31281 263.7192 30.27673 264.2013 30.08521 264.6834 29.64508 265.1655 30.22931 265.6476 32.35590 266.1298 34.37256 266.6119 35.96729 267.0940 37.60236 267.5761 39.91620 268.0582 43.04718 268.5403 46.19556 269.0225 48.45398 269.5046 49.62524 269.9867 50.22864 270.4688 49.64117 270.9509 48.95502 271.4330 49.12524 271.9152 50.34430 272.3973 52.00439 272.8794 53.68494 273.3615 55.36584 273.8436 56.31848 274.3257 55.77722 274.8079 55.11670 275.2900 55.97766 275.7721 58.26215 276.2542 59.69373 276.7363 58.24963 277.2184 54.23407 277.7006 51.22113 278.1827 49.77698 278.6648 48.82996 279.1469 48.19067 279.6290 47.76044 280.1111 46.58075 280.5933 43.70068 281.0754 39.72394 281.5575 36.84534 282.0396 36.08392 282.5217 35.18591 283.0038 32.41144 283.4860 28.12555 283.9681 24.21478 284.4502 21.58588 284.9323 19.83521 285.4144 17.92212 285.8965 15.59418 286.3787 13.69855 286.8608 13.22321 287.3429 13.69287 287.8250 13.22870 288.3071 10.82532 288.7892 7.758118 289.2714 5.916016 289.7535 5.396851 290.2356 5.039917 290.7177 4.112122 291.1998 2.925903 291.6819 2.399780 292.1641 2.967407 292.6462 3.782959 293.1283 3.922180 293.6104 3.464355 294.0925 2.833008 294.5746 1.917969 295.0568 0.9901120 295.5389 0.6897580 296.0210 1.253479 296.5031 1.962280 296.9852 2.238770 297.4673 2.178345 297.9495 1.959473 298.4316 1.078308 298.9137 0.2885740 299.3958 1.069824 299.8779 3.815552 300.3600 6.362000 300.8422 7.097046 301.3243 6.644348 301.8064 5.935791 302.2885 4.855103 302.7706 3.922241 303.2527 3.869080 303.7349 4.749023 304.2170 5.565125 304.6991 5.550964 305.1812 5.364136 305.6633 5.988831 306.1454 7.829895 306.6276 9.784119 307.1097 11.07538 307.5918 11.70184 308.0739 11.47198 308.5560 9.558105 309.0381 7.439453 309.5203 7.097900 310.0024 8.786255 310.4845 10.04987 310.9666 8.619629 311.4487 5.123657 311.9308 2.728271 312.4130 2.360107 312.8951 2.849487 313.3772 3.183533 313.8593 3.378784 314.3414 3.546814 314.8235 3.855042 315.3057 4.171509 315.7878 4.132935 316.2699 3.653137 316.7520 2.950806 317.2341 1.964294 317.7162 0.8794560 318.1984 0.1380620 318.6805 0.2388920 319.1626 0.6260990 319.6447 0.1937870 320.1268 1.313232 320.6089 2.333740 321.0911 1.316895 321.5732 0.5637820 322.0553 1.660095 322.5374 1.387390 323.0195 0.6714480 323.5016 0.5424800 323.9838 1.004272 324.4659 1.165894 324.9480 0.4413450 325.4301 0.5866700 325.9122 1.268372 326.3943 1.597717 326.8765 1.489197 327.3586 0.3874510 327.8407 1.408813 328.3228 2.070068 328.8049 0.5834350 329.2870 1.348083 329.7692 1.917297 330.2513 1.237854 330.7334 0.4549560 331.2155 0.1617430 331.6976 0.4643550 332.1797 0.1725460 332.6619 2.254639 333.1440 4.036560 333.6261 3.558289 334.1082 1.637878 334.5903 0.1403810 335.0724 0.4230350 335.5546 1.029907 336.0367 0.3235470 336.5188 3.860962 337.0009 7.007385 337.4830 8.049927 337.9651 7.764221 338.4473 7.633423 338.9294 7.881775 339.4115 8.208252 339.8936 8.179932 340.3757 7.922546 340.8578 8.379517 341.3400 10.21362 341.8221 12.41663 342.3042 13.43500 342.7863 13.09119 343.2684 12.81360 343.7505 13.43127 344.2327 14.59705 344.7148 15.47681 345.1969 15.83716 345.6790 16.11249 346.1611 16.90643 346.6432 18.17517 347.1254 19.27985 347.6075 19.26306 348.0896 19.22479 348.5717 20.92535 349.0538 24.60144 349.5359 28.37665 350.0181 30.93286 350.5002 32.43573 350.9823 33.82782 351.4644 35.02582 351.9465 36.07019 352.4286 36.84863 352.9108 37.51794 353.3929 38.70648 353.8750 40.80688 354.3571 43.45270 354.8392 45.70361 355.3214 47.24054 355.8035 49.31378 356.2856 52.78589 356.7677 56.92792 357.2498 60.50153 357.7319 63.16162 358.2141 65.26093 358.6962 67.15424 359.1783 68.77130 359.6604 70.58270 360.1425 72.34253 360.6246 74.54321 361.1068 78.05316 361.5889 82.83313 362.0710 87.38751 362.5531 90.55145 363.0352 92.26831 363.5173 93.20148 363.9995 92.36835 364.4816 91.80133 364.9637 92.58997 365.4458 94.42737 365.9279 96.49652 366.4100 98.40137 366.8922 100.1792 367.3743 101.9131 367.8564 102.9752 368.3385 104.8652 368.8206 108.7787 369.3027 113.1932 369.7849 116.2966 370.2670 117.5876 370.7491 117.8729 371.2312 118.2331 371.7133 118.7816 372.1954 119.0156 372.6776 118.9208 373.1597 118.5577 373.6418 118.0363 374.1239 117.3035 374.6060 116.0958 375.0881 114.0846 375.5703 111.3229 376.0524 109.3292 376.5345 109.2603 377.0166 108.6240 377.4987 106.7120 377.9808 103.8455 378.4630 100.5579 378.9451 97.20294 379.4272 93.83978 379.9093 90.55469 380.3914 87.83124 380.8735 84.26007 381.3557 78.62738 381.8378 73.04468 382.3199 69.25549 382.8020 67.34967 383.2841 65.97858 383.7662 63.65302 384.2484 60.17169 384.7305 57.24188 385.2126 55.34454 385.6947 53.63995 386.1768 51.98029 386.6589 50.25421 387.1411 48.25421 387.6232 45.99371 388.1053 43.50766 388.5874 40.58276 389.0695 36.72723 389.5516 33.32651 390.0338 30.69766 390.5159 28.41199 390.9980 26.26089 391.4801 24.31476 391.9622 22.60681 392.4443 21.09326 392.9265 19.69958 393.4086 18.04562 393.8907 15.87546 394.3728 13.84579 394.8549 12.37775 395.3370 11.38016 395.8192 10.49918 396.3013 9.715851 396.7834 8.870789 397.2655 7.187134 397.7476 4.072479 398.2297 1.675995 398.7119 1.785736 399.1940 3.079803 399.6761 3.909729 400.1582 3.723541 400.6403 3.276154 401.1224 3.504730 401.6046 4.341187 402.0867 4.627533 402.5688 3.873596 403.0509 2.550873 403.5330 1.047607 404.0151 0.6625370 404.4973 1.818604 404.9794 1.726990 405.4615 0.9672240 405.9436 0.5085450 406.4257 0.4689330 406.9078 0.6884160 407.3900 1.278503 407.8721 2.060577 408.3542 2.191101 408.8363 0.8893430 409.3184 0.4375920 409.8005 0.7477720 410.2827 0.2910460 410.7648 8.1789996E-03 411.2469 0.3271790 411.7290 0.9105530 412.2111 0.7705690 412.6932 0.4980470 413.1754 1.369476 413.6575 1.331543 414.1396 0.9094240 414.6217 0.7683110 415.1038 0.9772030 415.5859 0.9153140 416.0681 0.1446840 416.5502 2.358368 417.0323 3.788696 417.5144 3.874084 417.9965 3.914307 418.4786 4.395874 418.9608 5.210114 419.4429 6.056122 419.9250 6.767792 420.4071 7.482758 420.8892 8.600098 421.3713 10.55487 421.8535 12.25946 422.3356 14.19513 422.8177 15.55353 423.2998 15.09601 423.7819 13.04684 424.2640 11.32968 424.7462 12.23898 425.2283 16.06342 425.7104 18.23364 426.1925 17.02774 426.6746 15.94220 427.1567 15.75266 427.6389 16.38376 428.1210 17.76553 428.6031 19.96689 429.0852 22.48630 429.5673 24.33917 430.0494 25.48022 430.5316 26.14417 431.0137 25.40704 431.4958 24.87653 431.9779 26.07928 432.4600 28.92230 432.9421 31.31943 433.4243 31.21649 433.9064 29.25092 434.3885 28.26541 434.8706 28.69650 435.3527 29.39178 435.8348 29.60284 436.3170 29.57562 436.7991 29.74847 437.2812 30.41425 437.7633 31.04404 438.2454 31.36536 438.7275 31.31094 439.2097 30.20450 439.6918 27.30167 440.1739 24.01291 440.6560 22.74637 441.1381 23.63678 441.6202 24.04297 442.1024 22.82864 442.5845 20.97610 443.0666 19.47800 443.5487 18.45148 444.0308 17.85580 444.5129 17.78748 444.9951 18.15277 445.4772 18.03952 445.9593 17.05600 446.4414 16.12857 446.9235 15.71182 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