#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:36:29 +0300 (Thu, 24 May 2018) $ #$Revision: 767 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000268.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_1000268 loop_ _publ_author_name 'Romming, C.' 'Kocharian, A. K.' 'Raade, G.' _publ_section_title ; The crystal structure of kamphaugite-(Y) ; _journal_name_full 'European Journal of Mineralogy' _journal_page_first 685 _journal_page_last 690 _journal_volume 5 _journal_year 1993 _chemical_compound_source R080085 _chemical_formula_sum 'C2 H3 Ca O8 Y' _chemical_name_mineral Kamphaugite-(Y) _space_group_IT_number 92 _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_space_group_name_H-M 'P 41 21 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 7.434 _cell_length_b 7.434 _cell_length_c 21.793 _cell_volume 1204.376 _exptl_crystal_density_diffrn 3.126 _cod_original_formula_sum 'Y Ca C2 O8 H3' _cod_database_code 9005138 _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 R080085.rod _rod_data_source.block 3500000 _rod_database.code 1000268 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 9005138 COD http://www.crystallography.net/cod/9005138.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 126.1017 0.0000000E+00 126.5838 0.7660680 127.0659 0.3082580 127.5480 0.3327330 128.0302 2.779480 128.5123 6.050537 128.9944 8.673676 129.4765 10.71533 129.9586 13.32382 130.4407 18.08762 130.9229 24.31326 131.4050 29.12955 131.8871 31.39905 132.3692 32.30246 132.8513 34.30762 133.3334 36.95609 133.8156 38.91940 134.2977 40.50888 134.7798 42.77475 135.2619 44.52118 135.7440 45.16071 136.2261 45.08325 136.7083 46.49011 137.1904 49.76813 137.6725 53.30109 138.1546 55.55988 138.6367 56.49530 139.1188 56.60190 139.6010 55.79755 140.0831 54.08545 140.5652 52.77676 141.0473 51.98792 141.5294 51.39874 142.0115 50.53290 142.4937 49.07028 142.9758 48.12350 143.4579 48.06967 143.9400 49.07861 144.4221 49.97574 144.9042 50.68378 145.3864 51.31042 145.8685 52.07721 146.3506 53.37357 146.8327 54.28345 147.3148 54.47070 147.7969 53.60739 148.2791 52.74603 148.7612 51.45782 149.2433 50.20679 149.7254 50.08954 150.2075 52.91547 150.6896 55.30939 151.1718 55.98471 151.6539 53.35098 152.1360 51.36334 152.6181 50.26779 153.1002 49.89197 153.5823 49.72836 154.0645 50.17551 154.5466 50.50320 155.0287 50.37668 155.5108 49.68253 155.9929 48.61401 156.4750 47.05362 156.9572 45.10403 157.4393 43.47446 157.9214 41.94858 158.4035 40.96936 158.8856 40.56064 159.3677 41.25940 159.8499 41.76706 160.3320 41.16125 160.8141 39.64597 161.2962 38.64606 161.7783 38.77402 162.2604 39.27551 162.7426 39.30942 163.2247 38.50705 163.7068 37.28955 164.1889 35.58804 164.6710 33.47095 165.1531 31.63751 165.6353 30.69049 166.1174 30.12012 166.5995 29.37537 167.0816 27.80704 167.5637 26.33307 168.0458 25.79517 168.5280 26.19769 169.0101 26.30173 169.4922 25.27536 169.9743 23.47379 170.4564 21.39465 170.9385 18.75101 171.4207 16.20609 171.9028 14.33426 172.3849 13.17593 172.8670 12.48816 173.3491 12.41669 173.8312 12.66757 174.3134 12.67642 174.7955 11.97528 175.2776 10.99152 175.7597 10.23352 176.2418 9.736084 176.7239 9.335266 177.2061 8.953552 177.6882 8.546112 178.1703 8.000427 178.6524 7.060120 179.1345 5.988403 179.6166 5.254120 180.0988 4.897369 180.5809 4.752151 181.0630 4.884323 181.5451 5.154861 182.0272 5.005005 182.5093 3.596436 182.9915 1.570023 183.4736 0.6564180 183.9557 1.074158 184.4378 1.939560 184.9199 1.937225 185.4020 1.190491 185.8842 0.4759830 186.3663 0.4290010 186.8484 0.8036960 187.3305 0.6773380 187.8126 9.3139999E-02 188.2947 1.190628 188.7769 2.212173 189.2590 3.154633 189.7411 3.940125 190.2232 4.619751 190.7053 5.147110 191.1874 5.173218 191.6696 4.546906 192.1517 3.646118 192.6338 3.244797 193.1159 3.363556 193.5980 3.408966 194.0801 2.874084 194.5623 1.822525 195.0444 1.226563 195.5265 1.344986 196.0086 1.723694 196.4907 1.281830 196.9728 7.5989000E-02 197.4550 1.439453 197.9371 2.163818 198.4192 2.235458 198.9013 2.515503 199.3834 3.065216 199.8655 3.871246 200.3477 4.998474 200.8298 6.518433 201.3119 8.026443 201.7940 9.405685 202.2761 10.69592 202.7582 11.31618 203.2404 10.90913 203.7225 10.03363 204.2046 10.49792 204.6867 12.75497 205.1688 14.86276 205.6509 15.32785 206.1331 13.76743 206.6152 12.85167 207.0973 12.99690 207.5794 13.90488 208.0615 14.58366 208.5436 14.94370 209.0258 15.34647 209.5079 16.03287 209.9900 17.04044 210.4721 17.84842 210.9542 18.41541 211.4363 18.83467 211.9185 19.24933 212.4006 19.53955 212.8827 20.02859 213.3648 20.95573 213.8469 22.45732 214.3290 23.94873 214.8112 25.65953 215.2933 27.27324 215.7754 27.48299 216.2575 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