#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/36/2013656.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2013656_Fobs
loop_
_publ_author_name
'Redhammer, G\"unther R.'
'Roth, G.'
_publ_section_title
;
 Lithium and sodium yttrium orthosilicate oxyapatite,
 LiY~9~(SiO~4~)~6~O~2~ and NaY~9~(SiO~4~)~6~O~2~, at both 100K and near
 room temperature
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i120
_journal_page_last               i124
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.3376
_cell_length_b                   9.3376
_cell_length_c                   6.7321
_exptl_crystal_F_000             646.00
_reflns_d_resolution_high        0.8004
_[local]_cod_data_source_file    ln1182LiY296Ksup2.hkl
_[local]_cod_data_source_block   LiY296K
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   LIY_OL4  Stoe IPDS measurement, RT'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            312.21
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, x, z+1/2'
'y, -x+y, z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, -x, -z-1/2'
'-y, x-y, -z-1/2'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
0 1 0 87.69 254.48 459.25 o
-1 2 0 38.08 79.02 242.47 o
0 2 0 5980.65 6260.91 344.05 o
-2 3 0 10468.12 11006.11 482.67 o
-1 3 0 4964.21 5263.80 286.80 o
0 3 0 22474.68 24558.39 1251.47 o
-3 4 0 2571.23 2440.89 207.91 o
-2 4 0 158.81 181.52 192.86 o
-1 4 0 7892.00 8730.93 598.20 o
0 4 0 8096.05 7815.69 322.88 o
-4 5 0 18505.49 18281.49 836.12 o
-3 5 0 1090.02 1155.13 189.82 o
-2 5 0 6006.22 5913.65 370.00 o
-1 5 0 22308.63 22523.87 1549.92 o
0 5 0 4630.51 4531.81 224.95 o
-5 6 0 2808.58 2791.90 185.47 o
-4 6 0 3647.41 3563.97 270.18 o
-3 6 0 44.00 254.57 166.03 o
-2 6 0 9592.85 9911.29 525.26 o
-1 6 0 383.54 451.36 147.40 o
0 6 0 1181.88 1285.80 146.66 o
-6 7 0 7965.69 8849.19 678.11 o
-5 7 0 5013.39 5561.00 410.20 o
-4 7 0 2492.27 2765.27 209.56 o
-3 7 0 198.97 234.09 141.07 o
-2 7 0 1254.05 1547.54 198.95 o
-1 7 0 8922.64 9828.87 539.97 o
0 7 0 1544.40 1855.88 167.45 o
-7 8 0 1113.64 1126.79 161.07 o
-6 8 0 2256.74 2326.67 195.99 o
-5 8 0 1100.42 1126.75 166.10 o
-4 8 0 16949.28 18883.33 1247.21 o
-3 8 0 1324.30 1610.05 154.42 o
-2 8 0 2863.57 2992.51 222.42 o
-1 8 0 7812.59 8784.52 717.86 o
0 8 0 7601.30 8884.88 628.30 o
-8 9 0 965.23 1190.97 207.24 o
-7 9 0 3853.89 3871.24 374.32 o
-6 9 0 734.84 885.26 156.79 o
-5 9 0 3497.83 3626.18 184.06 o
-4 9 0 651.83 867.21 162.16 o
-3 9 0 77.30 316.93 115.94 o
-2 9 0 3089.53 3140.95 182.33 o
-1 9 0 851.22 878.03 125.81 o
0 9 0 10619.23 11078.51 1353.82 o
-9 10 0 209.51 261.79 130.56 o
-8 10 0 1430.08 1352.27 151.66 o
-7 10 0 5624.78 5565.54 371.09 o
-6 10 0 72.12 123.30 145.29 o
-5 10 0 5523.85 5395.99 462.09 o
-4 10 0 2246.98 2211.08 142.89 o
-3 10 0 2163.74 1989.30 121.19 o
-2 10 0 687.11 668.45 118.67 o
-1 10 0 80.91 111.66 123.70 o
0 10 0 261.62 302.87 139.15 o
-8 11 0 1357.03 1291.90 146.37 o
-7 11 0 421.22 366.91 151.98 o
-6 11 0 1391.52 1220.59 147.60 o
-5 11 0 4698.48 4494.96 296.43 o
-4 11 0 1122.46 1417.68 162.05 o
-3 11 0 96.51 28.11 120.55 o
0 1 1 38.42 72.83 81.51 o
-1 2 1 1536.02 1665.96 105.06 o
0 2 1 111.87 250.44 103.63 o
-2 3 1 24567.15 24937.99 824.09 o
-1 3 1 15346.39 15149.48 321.84 o
0 3 1 688.87 808.41 107.99 o
-3 4 1 1411.75 1418.25 113.65 o
-2 4 1 3217.43 2967.05 117.43 o
-1 4 1 280.16 202.75 92.06 o
0 4 1 70.81 107.60 110.79 o
-4 5 1 559.04 606.97 110.76 o
-3 5 1 8189.18 7356.59 332.78 o
-2 5 1 7862.83 7549.25 235.82 o
-1 5 1 378.10 350.65 100.58 o
0 5 1 454.27 433.16 112.62 o
-5 6 1 5726.30 5553.40 306.86 o
-4 6 1 68.57 51.73 103.25 o
-3 6 1 14249.73 13267.70 578.06 o
-2 6 1 493.78 374.34 100.36 o
-1 6 1 1923.19 1915.28 116.88 o
0 6 1 2.89 5.87 105.95 o
-6 7 1 5144.80 5177.15 254.94 o
-5 7 1 5940.45 6135.48 259.71 o
-4 7 1 5877.32 6056.07 283.60 o
-3 7 1 294.80 285.10 100.86 o
-2 7 1 3825.04 3840.49 172.36 o
-1 7 1 5181.20 5421.49 300.00 o
0 7 1 174.49 162.73 105.13 o
-7 8 1 2058.89 2168.65 107.81 o
-6 8 1 1627.34 1633.59 110.12 o
-5 8 1 768.59 1002.36 112.00 o
-4 8 1 1048.32 1064.84 133.21 o
-3 8 1 870.53 1017.73 89.37 o
-2 8 1 3700.46 3766.43 160.20 o
-1 8 1 730.72 751.46 92.62 o
0 8 1 61.40 74.73 97.89 o
-8 9 1 11.63 34.91 94.50 o
-7 9 1 1832.76 1843.92 107.29 o
-6 9 1 3364.82 3231.68 190.18 o
-5 9 1 281.06 271.20 102.05 o
-4 9 1 681.95 643.70 95.22 o
-3 9 1 1538.35 1653.56 86.17 o
-2 9 1 403.85 420.96 82.40 o
-1 9 1 72.63 122.27 89.03 o
0 9 1 1002.09 1000.35 101.64 o
-9 10 1 489.48 501.35 120.35 o
-8 10 1 3058.99 3157.69 281.51 o
-7 10 1 5897.22 6119.71 360.87 o
-6 10 1 496.13 464.53 105.94 o
-5 10 1 1129.63 1082.08 95.85 o
-4 10 1 2503.95 2583.21 138.06 o
-3 10 1 4683.26 4632.75 156.69 o
-2 10 1 2694.51 2859.21 169.69 o
-1 10 1 104.98 220.02 95.08 o
0 10 1 161.20 127.62 98.28 o
-8 11 1 281.57 158.39 125.82 o
-7 11 1 159.23 110.66 102.81 o
-6 11 1 3868.37 3746.18 169.93 o
-5 11 1 4212.39 4039.99 180.97 o
-4 11 1 736.16 752.39 89.66 o
-3 11 1 613.98 651.60 85.27 o
0 0 2 35088.52 37436.51 1068.90 o
0 1 2 7100.04 7143.85 99.65 o
-1 2 2 13710.11 13801.12 289.49 o
0 2 2 2566.26 2587.96 83.53 o
-2 3 2 301.63 331.70 71.26 o
-1 3 2 1802.59 1735.90 79.62 o
0 3 2 1905.86 1872.90 76.13 o
-3 4 2 4645.32 4332.42 130.67 o
-2 4 2 23070.84 22530.59 563.00 o
-1 4 2 5514.85 5225.08 135.04 o
0 4 2 25060.45 24927.59 606.99 o
-4 5 2 25.08 62.52 85.11 o
-3 5 2 3865.62 3544.84 106.92 o
-2 5 2 67.46 91.69 83.00 o
-1 5 2 502.14 462.57 88.83 o
0 5 2 23754.11 23376.02 551.94 o
-5 6 2 489.69 522.02 93.45 o
-4 6 2 1306.79 1404.22 104.46 o
-3 6 2 8817.35 8331.54 360.34 o
-2 6 2 479.21 398.97 92.43 o
-1 6 2 2145.91 2126.42 94.71 o
0 6 2 3567.47 3719.21 155.93 o
-6 7 2 599.15 676.49 105.51 o
-5 7 2 5428.13 5460.36 251.34 o
-4 7 2 113.76 275.87 96.83 o
-3 7 2 2514.52 2551.74 128.05 o
-2 7 2 13905.10 14891.84 551.08 o
-1 7 2 2503.25 2516.78 106.61 o
0 7 2 808.18 800.48 97.35 o
-7 8 2 3830.06 3721.81 184.07 o
-6 8 2 368.27 479.61 102.39 o
-5 8 2 7603.50 7853.37 329.17 o
-4 8 2 1838.93 2032.85 122.23 o
-3 8 2 6897.86 7057.46 286.43 o
-2 8 2 505.05 591.67 88.40 o
-1 8 2 48.79 95.19 87.62 o
0 8 2 14382.85 14585.20 682.30 o
-8 9 2 2344.97 2307.94 120.94 o
-7 9 2 39.57 15.69 98.93 o
-6 9 2 3829.44 3760.68 163.29 o
-5 9 2 8373.39 8397.42 438.13 o
-4 9 2 7097.64 7222.90 374.00 o
-3 9 2 5451.70 5428.88 248.19 o
-2 9 2 2.14 44.45 83.27 o
-1 9 2 7217.10 7341.65 369.99 o
0 9 2 151.18 301.12 92.28 o
-9 10 2 295.44 378.68 92.39 o
-8 10 2 2019.77 2133.82 105.51 o
-7 10 2 388.17 540.55 96.46 o
-6 10 2 263.25 226.98 92.58 o
-5 10 2 784.37 760.66 89.36 o
-4 10 2 39.99 238.95 107.44 o
-3 10 2 112.61 152.13 93.95 o
-2 10 2 3288.00 3355.32 153.42 o
-1 10 2 1798.80 1691.62 89.32 o
-7 11 2 2350.21 2185.31 95.91 o
-6 11 2 47.39 237.38 85.95 o
-5 11 2 533.29 576.66 93.27 o
-4 11 2 1737.69 1875.75 142.07 o
0 1 3 94.64 76.16 59.73 o
-1 2 3 6307.88 6256.54 104.89 o
0 2 3 1179.95 1242.16 67.68 o
-2 3 3 22804.38 22545.62 397.66 o
-1 3 3 13548.48 12930.70 182.79 o
0 3 3 417.36 383.18 72.84 o
-3 4 3 163.45 225.67 70.20 o
-2 4 3 1442.99 1394.11 76.32 o
-1 4 3 327.52 280.34 70.55 o
0 4 3 103.30 145.98 71.89 o
-4 5 3 1200.53 1261.93 80.79 o
-3 5 3 8901.16 8805.50 218.89 o
-2 5 3 3127.70 3029.61 92.52 o
-1 5 3 1163.98 1122.49 83.62 o
0 5 3 235.53 137.63 72.95 o
-5 6 3 5307.63 5443.90 149.56 o
-4 6 3 80.89 155.97 87.13 o
-3 6 3 6957.18 7229.42 262.74 o
-2 6 3 1588.77 1672.98 88.28 o
-1 6 3 791.93 871.35 85.73 o
0 6 3 11.72 131.27 87.94 o
-6 7 3 3530.06 3624.42 106.23 o
-5 7 3 5435.83 5579.15 193.13 o
-4 7 3 6596.53 6731.71 293.98 o
-3 7 3 165.97 204.11 90.29 o
-2 7 3 3735.27 3740.60 165.04 o
-1 7 3 4512.55 4313.92 159.50 o
0 7 3 130.05 192.82 90.11 o
-7 8 3 1275.82 1314.47 90.27 o
-6 8 3 2854.41 2871.17 105.77 o
-5 8 3 664.92 572.64 89.46 o
-4 8 3 39.89 69.74 90.12 o
-3 8 3 599.92 572.94 91.02 o
-2 8 3 3020.11 2969.36 133.59 o
-1 8 3 282.30 304.06 85.31 o
0 8 3 34.73 68.04 84.86 o
-8 9 3 33.17 142.03 86.44 o
-7 9 3 1126.09 1069.84 92.19 o
-6 9 3 1625.03 1619.07 89.39 o
-5 9 3 84.37 233.46 90.20 o
-4 9 3 492.04 490.23 96.03 o
-3 9 3 532.38 470.07 85.43 o
-2 9 3 853.47 810.82 92.19 o
-1 9 3 417.49 371.68 91.33 o
0 9 3 803.70 709.01 83.21 o
-8 10 3 3480.93 3253.36 118.57 o
-7 10 3 6225.98 6094.41 200.85 o
-6 10 3 272.31 332.87 87.82 o
-5 10 3 843.02 804.52 98.17 o
-4 10 3 1529.10 1650.86 97.54 o
-3 10 3 3003.48 2944.45 185.66 o
-2 10 3 2715.38 2495.44 126.52 o
0 0 4 97476.04 101406.34 9548.42 o
0 1 4 25.19 79.25 61.39 o
-1 2 4 303.36 359.67 62.42 o
0 2 4 1807.10 1712.60 64.97 o
-2 3 4 4642.76 4493.87 90.58 o
-1 3 4 5275.16 5081.75 74.84 o
0 3 4 9677.38 9292.94 164.29 o
-3 4 4 370.81 395.53 72.97 o
-2 4 4 5.63 126.24 65.85 o
-1 4 4 435.29 460.36 68.93 o
0 4 4 5021.47 4995.68 88.95 o
-4 5 4 11247.61 11719.99 382.15 o
-3 5 4 273.36 305.47 74.12 o
-2 5 4 3080.62 3013.02 82.46 o
-1 5 4 14318.69 15205.92 407.43 o
0 5 4 5286.32 5474.92 169.90 o
-5 6 4 3068.30 3168.57 82.85 o
-4 6 4 4622.91 4927.80 135.93 o
-3 6 4 129.83 188.00 76.70 o
-2 6 4 5265.81 5368.67 150.76 o
-1 6 4 161.81 220.14 79.38 o
0 6 4 1117.41 1203.54 81.28 o
-6 7 4 5384.43 5553.36 161.88 o
-5 7 4 1329.72 1524.38 79.38 o
-4 7 4 1879.03 1925.61 87.65 o
-3 7 4 63.00 94.91 78.66 o
-2 7 4 63.32 160.56 84.01 o
-1 7 4 7754.58 7607.20 292.62 o
0 7 4 628.60 780.69 86.76 o
-7 8 4 884.10 1015.56 95.22 o
-6 8 4 1230.51 1234.43 83.00 o
-5 8 4 898.51 928.46 105.01 o
-4 8 4 14623.17 15501.19 700.97 o
-3 8 4 977.72 928.13 79.33 o
-2 8 4 3667.90 3513.32 122.12 o
-1 8 4 5625.86 5482.76 199.62 o
0 8 4 5809.41 5613.33 183.26 o
-8 9 4 257.59 438.37 87.97 o
-7 9 4 2535.43 2498.04 90.58 o
-6 9 4 656.00 504.93 88.68 o
-5 9 4 2488.45 2340.13 109.86 o
-4 9 4 919.16 1020.18 86.52 o
-3 9 4 93.80 16.86 82.57 o
-2 9 4 2107.54 2130.43 86.02 o
-1 9 4 1170.46 1087.12 94.53 o
-7 10 4 3641.25 3585.83 174.48 o
-6 10 4 205.59 241.43 86.53 o
-5 10 4 2961.16 2949.47 173.47 o
-4 10 4 1339.07 1272.95 86.07 o
-3 10 4 1667.15 1543.93 87.71 o
0 1 5 50.06 7.45 63.63 o
-1 2 5 503.23 570.54 65.33 o
0 2 5 300.22 351.69 65.16 o
-2 3 5 11415.33 11988.49 227.26 o
-1 3 5 7198.10 7260.86 126.15 o
0 3 5 110.35 171.97 68.23 o
-3 4 5 879.78 922.19 75.11 o
-2 4 5 2188.38 2187.33 83.04 o
-1 4 5 138.62 181.08 69.54 o
0 4 5 81.88 217.75 72.69 o
-4 5 5 192.85 447.41 82.81 o
-3 5 5 4106.45 4143.93 143.91 o
-2 5 5 5752.51 5800.22 183.88 o
-1 5 5 84.37 135.73 70.24 o
0 5 5 493.55 501.91 75.30 o
-5 6 5 3867.17 4026.28 144.70 o
-4 6 5 115.24 90.34 77.69 o
-3 6 5 9962.34 10100.20 360.73 o
-2 6 5 173.72 223.25 75.36 o
-1 6 5 1591.50 1684.33 80.55 o
0 6 5 7.32 154.36 73.37 o
-6 7 5 3662.79 3752.68 89.62 o
-5 7 5 3570.22 3645.35 97.49 o
-4 7 5 2748.76 2727.55 98.76 o
-3 7 5 183.12 65.20 84.08 o
-2 7 5 2679.64 2575.58 103.02 o
-1 7 5 3085.58 3106.49 108.30 o
0 7 5 305.36 367.48 88.93 o
-7 8 5 1557.34 1428.32 91.24 o
-6 8 5 792.34 856.50 84.21 o
-5 8 5 504.45 505.56 83.56 o
-4 8 5 960.70 951.54 89.49 o
-3 8 5 606.01 563.34 84.17 o
-2 8 5 2624.65 2687.22 134.72 o
-1 8 5 731.69 653.22 83.35 o
0 8 5 27.24 -4.79 89.81 o
-6 9 5 2732.73 2696.06 145.47 o
-5 9 5 281.73 323.93 89.95 o
-4 9 5 642.34 542.53 82.27 o
-3 9 5 1461.86 1402.19 83.16 o
0 0 6 22664.34 23446.27 2053.26 o
0 1 6 3314.05 3465.38 95.31 o
-1 2 6 8728.94 9121.33 157.84 o
0 2 6 65.25 66.88 68.05 o
-2 3 6 329.93 335.96 68.24 o
-1 3 6 66.88 18.45 65.74 o
0 3 6 71.13 225.53 72.84 o
-3 4 6 622.60 582.68 75.68 o
-2 4 6 8151.63 8257.10 148.85 o
-1 4 6 5048.92 4848.01 145.63 o
0 4 6 11436.60 11480.20 241.40 o
-4 5 6 25.47 65.26 72.41 o
-3 5 6 635.29 685.67 74.37 o
-2 5 6 1.98 41.80 75.94 o
-1 5 6 215.51 302.19 77.64 o
0 5 6 9671.82 9915.54 256.13 o
-5 6 6 25.25 60.09 74.86 o
-4 6 6 141.76 146.72 73.39 o
-3 6 6 6210.59 6511.38 179.66 o
-2 6 6 732.18 804.05 81.15 o
-1 6 6 669.96 631.52 79.19 o
0 6 6 3095.15 3228.60 117.02 o
-6 7 6 713.39 849.72 76.25 o
-5 7 6 1417.46 1417.10 78.86 o
-4 7 6 61.06 148.55 81.94 o
-3 7 6 715.67 870.67 86.26 o
-2 7 6 4549.78 4591.01 203.20 o
-1 7 6 1057.01 1284.59 84.79 o
0 7 6 85.97 122.62 80.04 o
-5 8 6 3763.56 3623.19 180.42 o
-4 8 6 811.75 720.72 86.17 o
-3 8 6 3983.43 3854.83 154.39 o
0 1 7 0.62 -1.05 66.43 o
-1 2 7 1436.50 1567.71 67.40 o
0 2 7 99.00 139.22 70.24 o
-2 3 7 7987.20 7803.40 169.36 o
-1 3 7 5700.51 5782.90 129.62 o
0 3 7 101.89 -0.27 69.64 o
-3 4 7 8.73 24.04 75.32 o
-2 4 7 1093.47 1262.80 70.18 o
-1 4 7 191.28 312.97 71.68 o
0 4 7 90.07 45.42 72.89 o
-4 5 7 310.66 192.32 73.15 o
-3 5 7 3356.63 3258.05 81.19 o
-2 5 7 1987.88 1918.09 84.07 o
-1 5 7 428.78 432.79 75.11 o
0 5 7 12.99 147.30 76.68 o
-5 6 7 2521.39 2510.07 80.97 o
-4 6 7 57.51 86.42 75.41 o
-3 6 7 4676.81 4573.82 139.98 o
-2 6 7 302.47 285.85 82.43 o
-1 6 7 861.50 768.41 81.35 o
0 0 8 25352.20 24267.42 2275.25 o
0 1 8 53.63 171.21 66.61 o
-1 2 8 51.19 210.19 69.77 o
0 2 8 520.14 590.60 82.75 o
-2 3 8 1858.88 1789.91 71.98 o
-1 3 8 2930.67 2689.34 102.21 o
0 3 8 3021.50 2828.59 103.06 o