#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:46:36 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181883 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/72/2107272.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2107272
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   15.5643
_cell_length_b                   15.5643
_cell_length_c                   8.0123
_exptl_crystal_F_000             1668.00
_reflns_d_resolution_high        0.7395
_cod_data_source_file            ps5046shelx6sup7.hkl
_cod_data_source_block           shelx6
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' imzPbInP63barom in P6(3)/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            837.63
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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
-2 3 0 669.61 530.49 95.87 o
-1 3 0 399.06 549.31 73.65 o
0 3 0 63049.07 57118.20 766.31 o
-3 4 0 3146.38 5164.31 357.92 o
-2 4 0 1841.72 1636.22 217.31 o
-1 4 0 7340.33 5777.90 332.36 o
0 4 0 766.28 1751.27 204.53 o
-4 5 0 173617.16 149527.97 1857.32 o
-3 5 0 8122.73 8238.62 524.10 o
-2 5 0 6792.18 7593.08 556.06 o
-1 5 0 141595.73 150512.27 1780.02 o
0 5 0 56.44 952.33 172.57 o
-5 6 0 13518.98 15678.63 479.13 o
-4 6 0 8344.18 10219.98 619.97 o
-3 6 0 79037.11 68733.97 1885.49 o
-2 6 0 8818.09 10443.68 722.24 o
-1 6 0 16727.07 16941.46 457.31 o
0 6 0 701631.88 639147.94 9369.91 o
-6 7 0 18288.19 18514.69 1223.97 o
-5 7 0 233338.81 201350.77 3809.32 o
-4 7 0 4839.80 5388.02 498.54 o
-3 7 0 4738.95 4621.04 492.14 o
-2 7 0 181719.16 197374.00 2681.77 o
-1 7 0 16588.27 20101.81 674.30 o
0 7 0 115.52 2946.47 351.53 o
-7 8 0 126712.76 118319.06 2773.90 o
-6 8 0 13096.69 19329.63 601.99 o
-5 8 0 11402.58 9823.70 703.06 o
-4 8 0 10927.22 12942.75 869.24 o
-3 8 0 11009.91 11038.08 843.68 o
-2 8 0 20254.39 19731.12 540.98 o
-1 8 0 110548.91 115717.73 2620.51 o
0 8 0 51.31 153.40 102.26 o
-8 9 0 327.29 472.97 178.96 o
-7 9 0 633.33 307.46 82.70 o
-6 9 0 21915.30 18707.86 1035.42 o
-5 9 0 211.10 210.92 127.83 o
-4 9 0 326.61 210.92 134.22 o
-3 9 0 20208.40 17845.01 1150.47 o
-2 9 0 319.02 352.16 83.10 o
-1 9 0 156.75 472.97 185.35 o
0 9 0 4337.76 3713.45 460.19 o
-9 10 0 70.15 217.31 115.05 o
-8 10 0 6410.06 7863.96 469.77 o
-7 10 0 2809.84 3510.12 313.18 o
-6 10 0 869.19 754.19 217.31 o
-5 10 0 34776.32 37051.41 1706.52 o
-4 10 0 895.65 977.90 294.01 o
-3 10 0 4045.74 3462.69 254.88 o
-2 10 0 11366.41 8513.10 1048.20 o
-1 10 0 67.24 696.67 236.48 o
0 10 0 456.77 741.41 249.27 o
-10 11 0 25336.45 25661.79 1335.82 o
-9 11 0 483.68 754.19 230.09 o
-8 11 0 12152.38 9691.84 492.70 o
-7 11 0 58802.46 56475.11 2115.58 o
-6 11 0 3471.52 4889.48 632.76 o
-5 11 0 4754.49 6743.01 760.59 o
-4 11 0 67086.87 58533.17 2300.93 o
-3 11 0 7944.05 11025.06 1105.73 o
-2 11 0 945.37 715.28 348.34 o
-1 11 0 26607.92 27905.20 1367.78 o
0 11 0 234.53 2741.94 434.62 o
-11 12 0 5097.91 4288.68 575.23 o
-10 12 0 1268.45 1163.25 306.79 o
-9 12 0 47669.55 41327.31 1329.43 o
-8 12 0 8750.77 7214.91 514.51 o
-7 12 0 8274.30 10149.67 926.76 o
-6 12 0 135013.80 135627.19 3822.10 o
-5 12 0 12518.04 11364.05 1041.81 o
-4 12 0 7063.06 7169.71 407.44 o
-3 12 0 53174.74 40867.11 2013.32 o
-2 12 0 1676.88 786.15 274.83 o
-1 12 0 4512.36 5087.62 600.80 o
0 12 0 69230.83 64637.03 2307.32 o
-12 13 0 5967.46 4723.30 619.97 o
-11 13 0 46731.51 40566.72 1840.75 o
-10 13 0 2007.50 3074.30 492.14 o
-9 13 0 3678.19 2616.92 329.16 o
-8 13 0 59574.68 53094.02 2230.63 o
-7 13 0 889.19 3157.39 524.10 o
-6 13 0 2303.06 2665.25 536.88 o
-5 13 0 57997.05 56085.23 2422.37 o
-4 13 0 983.11 1815.18 409.05 o
-3 13 0 4215.32 2281.76 472.97 o
-2 13 0 43745.13 41193.08 2077.23 o
-1 13 0 3246.52 5819.57 509.30 o
0 13 0 112.87 1278.30 364.31 o
-13 14 0 15490.26 15582.43 1156.86 o
-12 14 0 3266.12 3323.57 575.23 o
-11 14 0 5750.10 7343.81 811.72 o
-10 14 0 16665.78 11900.51 594.52 o
-9 14 0 1656.85 441.04 226.90 o
-8 14 0 504.68 1323.04 389.88 o
-7 14 0 20826.60 18797.34 1393.34 o
-6 14 0 1862.52 1457.26 383.49 o
-5 14 0 846.28 1016.25 332.36 o
-4 14 0 11692.72 13390.15 1163.25 o
-3 14 0 10049.19 7011.45 875.63 o
-2 14 0 3615.93 4224.77 664.71 o
-1 14 0 15155.30 15279.23 869.95 o
0 14 0 274.24 830.89 345.14 o
-14 15 0 15.19 51.13 166.18 o
-13 15 0 345.12 -230.09 230.09 o
-12 15 0 8686.27 7254.33 837.28 o
-11 15 0 58.66 351.53 242.88 o
-10 15 0 742.74 1073.77 345.14 o
-9 15 0 2382.82 2414.13 297.94 o
-8 15 0 0.59 -223.70 223.70 o
-7 15 0 182.53 -172.57 281.23 o
-6 15 0 2089.32 2102.80 492.14 o
-5 15 0 232.81 428.23 230.09 o
-4 15 0 149.87 -83.09 223.70 o
-3 15 0 8317.18 7484.42 926.76 o
-2 15 0 501.11 -236.48 287.62 o
-1 15 0 31.80 -5.64 265.25 o
0 15 0 1368.96 1498.70 288.62 o
-15 16 0 209.57 818.11 332.36 o
-14 16 0 3056.38 3438.62 607.19 o
-13 16 0 993.20 1035.42 377.10 o
-12 16 0 159.58 25.57 210.92 o
-11 16 0 3083.39 3451.40 613.58 o
-10 16 0 38.08 -6.39 159.79 o
-9 16 0 114.59 279.01 158.04 o
-8 16 0 1986.28 1623.44 434.62 o
-7 16 0 0.51 -236.48 306.79 o
-6 16 0 6.55 -134.22 204.53 o
-5 16 0 3003.21 3374.70 645.54 o
-4 16 0 2.64 147.00 210.92 o
-3 16 0 1131.84 1239.95 472.97 o
-2 16 0 4062.41 3189.35 664.71 o
-1 16 0 686.81 639.15 255.66 o
0 16 0 14.98 -120.06 166.18 o
-16 17 0 3088.26 3197.51 488.95 o
-15 17 0 380.56 409.05 306.79 o
-14 17 0 4515.74 3093.48 619.97 o
-13 17 0 8724.21 8628.50 997.07 o
-12 17 0 220.20 1188.82 383.49 o
-11 17 0 554.43 1105.73 377.10 o
-10 17 0 7712.41 8296.14 997.07 o
-9 17 0 155.71 1054.59 402.66 o
-8 17 0 943.70 696.67 338.75 o
-7 17 0 9603.43 8922.50 1054.59 o
-6 17 0 11.43 920.37 396.27 o
-5 17 0 1451.22 1808.79 530.49 o
-4 17 0 8997.40 8960.85 1060.99 o
-3 17 0 1994.53 3035.95 658.32 o
-2 17 0 94.80 19.17 281.23 o
-1 17 0 3633.84 3643.14 735.02 o
-15 18 0 8775.12 7158.46 945.94 o
-14 18 0 837.42 543.28 306.79 o
-13 18 0 1022.93 1879.09 549.67 o
-12 18 0 10902.40 11396.01 1233.56 o
-11 18 0 1061.07 325.97 249.27 o
-10 18 0 110.20 -325.97 325.97 o
-9 18 0 19925.04 19347.01 1585.09 o
-8 18 0 400.50 345.14 294.01 o
-7 18 0 681.85 562.45 313.18 o
-6 18 0 12342.57 13901.47 1361.39 o
-5 18 0 2025.80 1354.99 485.75 o
-4 18 0 575.37 779.76 402.66 o
-3 18 0 9337.38 9261.25 1150.47 o
-12 19 0 677.14 671.11 357.92 o
-11 19 0 11321.47 12949.14 1354.99 o
-10 19 0 10.35 121.44 242.88 o
-9 19 0 1045.84 121.44 242.88 o
-8 19 0 12586.42 10539.55 1201.60 o
-7 19 0 16.34 511.32 262.05 o
-1 2 1 13208.42 12480.13 378.70 o
0 2 1 2033.39 2810.33 111.28 o
-2 3 1 2792.57 3562.22 157.24 o
-1 3 1 2965.92 3467.62 121.99 o
0 3 1 1057.67 76.70 40.68 o
-3 4 1 19538.27 18137.45 407.18 o
-2 4 1 446051.28 397543.19 4480.43 o
-1 4 1 14500.99 18720.96 446.33 o
0 4 1 17993.56 21316.17 441.29 o
-4 5 1 23555.14 29368.46 576.11 o
-3 5 1 503.84 1327.00 146.41 o
-2 5 1 1150.16 1217.95 182.16 o
-1 5 1 34537.23 29234.39 513.02 o
0 5 1 831.07 961.79 102.80 o
-5 6 1 603.13 1336.35 125.36 o
-4 6 1 603.67 751.62 94.12 o
-3 6 1 2853.22 2617.89 232.72 o
-2 6 1 152.72 917.53 161.95 o
-1 6 1 658.47 1246.59 111.39 o
0 6 1 220.40 446.84 169.37 o
-6 7 1 2738.00 3477.71 310.68 o
-5 7 1 23952.10 26563.32 809.06 o
-4 7 1 2959.74 2545.85 241.51 o
-3 7 1 1860.10 2083.22 234.88 o
-2 7 1 32269.21 27185.63 540.56 o
-1 7 1 4025.09 4076.04 219.91 o
0 7 1 2531.40 2362.01 223.41 o
-7 8 1 134.37 396.67 108.18 o
-6 8 1 11293.75 9871.49 390.90 o
-5 8 1 8572.54 11421.12 1099.33 o
-4 8 1 122478.73 117084.06 2072.08 o
-3 8 1 12040.37 11274.55 664.71 o
-2 8 1 4709.76 9787.18 292.11 o
-1 8 1 69.04 560.19 96.61 o
0 8 1 4744.86 6116.75 386.71 o
-8 9 1 9297.00 10178.53 517.34 o
-7 9 1 2935.19 3428.88 172.51 o
-6 9 1 1972.17 3531.64 245.71 o
-5 9 1 6605.45 10102.64 555.67 o
-4 9 1 8158.18 9759.19 571.06 o
-3 9 1 5199.12 3664.85 361.22 o
-2 9 1 1225.71 3749.80 194.74 o
-1 9 1 8105.68 10469.37 1188.82 o
0 9 1 292.68 0.00 85.09 o
-9 10 1 15323.90 19193.15 1866.31 o
-8 10 1 34933.27 34438.83 1331.21 o
-7 10 1 9433.84 8633.60 403.12 o
-6 10 1 6479.26 7430.77 485.70 o
-5 10 1 30.11 269.45 210.92 o
-4 10 1 6970.79 7344.84 524.76 o
-3 10 1 8546.91 8806.41 276.17 o
-2 10 1 43381.45 37908.74 926.04 o
-1 10 1 21475.99 20330.63 771.84 o
0 10 1 14291.98 15981.39 706.42 o
-10 11 1 1488.39 2543.28 298.18 o
-9 11 1 0.16 1307.67 222.86 o
-8 11 1 1122.49 1280.32 125.04 o
-7 11 1 22756.46 21745.21 679.52 o
-6 11 1 1089.94 2191.64 282.22 o
-5 11 1 2822.34 2455.01 318.02 o
-4 11 1 19648.57 19269.55 901.72 o
-3 11 1 1023.36 1437.74 181.13 o
-2 11 1 56.66 1293.43 172.17 o
-1 11 1 2237.93 2169.45 280.10 o
0 11 1 1702.08 909.02 180.10 o
-11 12 1 667.41 746.02 182.66 o
-10 12 1 344.84 371.77 161.95 o
-9 12 1 1745.20 1590.30 161.78 o
-8 12 1 1262.35 2241.31 230.13 o
-7 12 1 1122.70 1476.69 219.89 o
-6 12 1 1430.16 2614.93 341.20 o
-5 12 1 2021.00 1433.37 252.93 o
-4 12 1 2276.84 2290.37 246.32 o
-3 12 1 1475.30 2072.58 345.39 o
-2 12 1 83.87 190.23 169.37 o
-1 12 1 603.47 823.70 351.53 o
0 12 1 263.83 287.34 191.74 o
-12 13 1 6079.42 5575.58 613.58 o
-11 13 1 6300.54 7008.49 687.08 o
-10 13 1 1301.89 1759.85 279.77 o
-9 13 1 179.10 760.09 172.51 o
-8 13 1 2171.14 2392.73 248.76 o
-7 13 1 538.24 1658.40 280.09 o
-6 13 1 1408.41 1649.30 296.26 o
-5 13 1 2439.16 2120.61 328.44 o
-4 13 1 1.77 792.21 149.39 o
-3 13 1 1347.55 2049.79 330.32 o
-2 13 1 7225.13 5784.10 1124.90 o
-1 13 1 3004.94 5236.16 355.29 o
0 13 1 172.20 567.18 159.41 o
-13 14 1 827.57 694.82 209.83 o
-12 14 1 1965.54 1239.87 248.37 o
-11 14 1 822.59 1356.04 263.66 o
-10 14 1 9821.77 9799.78 494.35 o
-9 14 1 2964.42 2506.95 200.12 o
-8 14 1 1458.76 809.90 171.31 o
-7 14 1 6291.11 6095.50 546.85 o
-6 14 1 1204.32 744.44 199.82 o
-5 14 1 3034.68 2479.53 370.51 o
-4 14 1 9077.84 9998.74 710.69 o
-3 14 1 1260.08 1136.83 265.62 o
-2 14 1 792.09 844.99 313.18 o
-1 14 1 1330.97 776.45 151.95 o
0 14 1 88.21 229.82 155.48 o
-14 15 1 995.93 2066.19 338.60 o
-13 15 1 873.63 857.40 225.75 o
-12 15 1 978.61 837.28 351.53 o
-11 15 1 1.75 921.59 211.80 o
-10 15 1 5398.42 4268.79 350.72 o
-9 15 1 877.32 836.20 167.66 o
-8 15 1 574.97 3331.26 325.33 o
-7 15 1 3451.93 3050.18 404.02 o
-6 15 1 1164.76 579.25 188.72 o
-5 15 1 2172.28 3905.66 744.61 o
-4 15 1 426.48 586.74 203.23 o
-3 15 1 388.16 193.42 187.25 o
-2 15 1 1.75 1407.27 295.44 o
-1 15 1 2359.96 1731.46 225.76 o
0 15 1 3.85 159.32 141.15 o
-15 16 1 2610.84 4391.55 493.63 o
-14 16 1 460.38 1148.15 466.58 o
-13 16 1 638.10 16.34 284.42 o
-12 16 1 3.56 242.88 202.64 o
-11 16 1 1178.42 1483.71 295.79 o
-10 16 1 2317.95 1490.85 231.51 o
-9 16 1 2579.76 3416.18 337.93 o
-8 16 1 1054.69 1222.89 201.21 o
-7 16 1 4804.83 2979.21 417.36 o
-6 16 1 1324.61 1667.66 331.97 o
-5 16 1 1690.78 989.83 269.36 o
-4 16 1 390.83 411.24 181.20 o
-3 16 1 441.12 729.84 250.56 o
-2 16 1 1022.42 801.60 386.68 o
-1 16 1 5219.96 3696.30 515.86 o
0 16 1 1281.59 1453.53 228.44 o
-16 17 1 3.41 136.88 181.74 o
-15 17 1 0.08 135.13 217.31 o
-14 17 1 27.58 499.87 242.88 o
-13 17 1 2778.31 3234.87 443.09 o
-12 17 1 42.61 320.02 325.97 o
-11 17 1 1049.51 482.56 222.60 o
-10 17 1 3353.60 2991.82 438.11 o
-9 17 1 1.49 415.81 152.57 o
-8 17 1 180.61 354.29 212.93 o
-7 17 1 2561.68 2204.96 402.16 o
-6 17 1 150.29 270.39 207.75 o
-5 17 1 1029.66 174.44 249.27 o
-4 17 1 3040.62 2926.61 445.01 o
-3 17 1 0.73 681.62 228.13 o
-2 17 1 397.69 678.16 256.45 o
-1 17 1 0.06 407.10 232.29 o
-15 18 1 104.54 212.92 147.35 o
-14 18 1 253.58 577.75 216.11 o
-13 18 1 476.03 1386.48 399.47 o
-12 18 1 1015.66 486.30 364.31 o
-11 18 1 8.23 183.17 185.43 o
-10 18 1 2.97 303.41 191.72 o
-9 18 1 515.32 126.73 482.56 o
-8 18 1 167.83 226.44 236.48 o
-7 18 1 93.82 94.71 287.62 o
-6 18 1 703.71 1248.24 331.15 o
-5 18 1 1466.40 1514.87 347.21 o
-4 18 1 242.04 469.95 281.23 o
-3 18 1 57.50 27.46 214.11 o
-12 19 1 1073.16 761.78 287.62 o
-11 19 1 555.18 776.40 253.35 o
-10 19 1 0.43 333.04 161.97 o
-9 19 1 42.23 399.34 202.20 o
-8 19 1 495.46 489.30 281.23 o
-7 19 1 420.94 984.63 383.49 o
0 1 2 0.30 30.01 14.50 o
-1 2 2 78163.47 79103.10 654.24 o
0 2 2 91.83 114.83 22.29 o
-2 3 2 133.08 143.44 32.95 o
-1 3 2 2.45 155.24 26.49 o
0 3 2 402885.69 364515.69 3639.62 o
-3 4 2 1049.01 2144.80 109.64 o
-2 4 2 501560.94 471163.19 3526.70 o
-1 4 2 2474.89 2090.79 89.38 o
0 4 2 396.04 1008.96 64.90 o
-4 5 2 78800.75 88193.42 913.98 o
-3 5 2 5993.21 5676.49 160.83 o
-2 5 2 5236.17 6211.62 214.02 o
-1 5 2 100659.01 87194.42 850.72 o
0 5 2 0.65 480.61 57.96 o
-5 6 2 11953.49 14342.26 342.33 o
-4 6 2 9092.04 11491.16 310.71 o
-3 6 2 194958.11 193102.72 1588.84 o
-2 6 2 9705.43 11992.05 277.88 o
-1 6 2 14153.94 14161.83 318.27 o
0 6 2 16720.19 16845.10 375.13 o
-6 7 2 13573.56 13866.60 448.57 o
-5 7 2 21815.71 28898.34 551.98 o
-4 7 2 4201.91 6501.69 215.44 o
-3 7 2 5285.85 5997.76 251.21 o
-2 7 2 38029.61 28688.78 521.21 o
-1 7 2 12600.19 14045.49 532.49 o
0 7 2 0.33 1316.64 140.01 o
-7 8 2 31821.57 36181.64 1377.36 o
-6 8 2 10810.25 16152.59 777.66 o
-5 8 2 9184.20 9577.50 452.73 o
-4 8 2 196534.73 203674.03 2926.14 o
-3 8 2 8819.20 9515.31 588.02 o
-2 8 2 15823.57 15908.66 535.46 o
-1 8 2 39603.12 36215.16 780.31 o
0 8 2 23.35 -26.68 90.23 o
-8 9 2 399.02 485.75 122.03 o
-7 9 2 588.46 454.95 98.22 o
-6 9 2 140676.91 143901.75 1898.30 o
-5 9 2 282.65 504.83 95.89 o
-4 9 2 305.74 485.35 142.31 o
-3 9 2 145847.72 139008.95 1909.38 o
-2 9 2 566.55 146.53 114.38 o
-1 9 2 178.60 442.67 108.73 o
0 9 2 153421.78 154691.84 6557.66 o
-9 10 2 94.29 713.44 161.97 o
-8 10 2 123229.79 110684.89 2090.36 o
-7 10 2 2816.83 3579.18 269.03 o
-6 10 2 876.37 615.26 113.07 o
-5 10 2 78434.62 80987.09 2952.86 o
-4 10 2 657.51 757.88 169.37 o
-3 10 2 2784.55 3173.09 840.48 o
-2 10 2 105399.34 104000.16 2217.33 o
-1 10 2 51.59 384.14 306.79 o
0 10 2 226.16 117.87 169.37 o
-10 11 2 40459.32 38894.06 1310.25 o
-9 11 2 342.54 1176.51 210.12 o
-8 11 2 11144.99 10052.76 464.17 o
-7 11 2 28327.01 26049.23 767.32 o
-6 11 2 2890.43 4201.56 296.53 o
-5 11 2 3954.19 4782.98 429.06 o
-4 11 2 23625.93 25275.94 1019.48 o
-3 11 2 7223.65 10411.86 667.85 o
-2 11 2 744.66 834.25 187.98 o
-1 11 2 38871.18 37532.90 2074.03 o
0 11 2 160.23 1767.96 257.61 o
-11 12 2 4339.16 4846.34 425.64 o
-10 12 2 935.98 1405.26 364.31 o
-9 12 2 20192.62 18556.41 647.93 o
-8 12 2 8120.37 7062.78 404.12 o
-7 12 2 7766.23 8574.55 455.85 o
-6 12 2 1101.81 1163.95 194.69 o
-5 12 2 9931.07 8688.92 607.75 o
-4 12 2 5936.59 6884.88 545.98 o
-3 12 2 17406.33 18200.76 918.05 o
-2 12 2 1841.63 1368.69 267.51 o
-1 12 2 4248.58 3934.63 290.51 o
0 12 2 2211.72 2113.76 294.69 o
-12 13 2 4974.76 3613.38 385.92 o
-11 13 2 5848.32 6752.05 512.23 o
-10 13 2 1506.61 3549.46 372.67 o
-9 13 2 3315.15 3096.62 277.25 o
-8 13 2 7204.88 7383.70 443.03 o
-7 13 2 1034.14 1923.22 223.80 o
-6 13 2 1795.04 2311.37 361.12 o
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