#------------------------------------------------------------------------------
#$Date: 2018-12-07 05:37:15 +0200 (Fri, 07 Dec 2018) $
#$Revision: 212436 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108342.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_2108342
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.2748
_cell_length_b                   9.3034
_cell_length_c                   11.8910
_exptl_crystal_F_000             1304.00
_reflns_d_resolution_high        0.7687
_cod_data_source_file            ps5074CuPb21sup4.hkl
_cod_data_source_block           CuPb21
_shelx_title                     ' mo_r11233_0m in Cmcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            882.14
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, z'
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 0 0 26314.18 24151.35 748.69 o
4 0 0 326317.38 316314.19 5685.64 o
6 0 0 171624.28 168216.22 6149.03 o
1 1 0 18193.70 16656.68 378.53 o
3 1 0 147167.86 139282.16 4171.46 o
5 1 0 7251.88 6706.02 770.09 o
0 2 0 469.16 761.46 267.65 o
2 2 0 302969.44 319520.75 4350.22 o
4 2 0 23762.03 23900.95 1480.21 o
6 2 0 26371.73 26198.87 2617.67 o
8 2 0 56142.12 57407.41 3671.30 o
1 3 0 322711.19 354665.94 4181.41 o
3 3 0 23176.43 24627.60 1243.19 o
5 3 0 231507.67 214385.14 4006.42 o
7 3 0 58500.77 53387.29 3487.58 o
0 4 0 20784.47 25988.98 1647.93 o
2 4 0 37415.99 38467.48 1389.32 o
4 4 0 23708.31 23232.07 1351.61 o
6 4 0 166.11 -231.03 702.67 o
8 4 0 42962.20 39303.63 3802.18 o
1 5 0 57902.05 61633.56 1489.29 o
3 5 0 146902.73 146188.36 3069.61 o
5 5 0 33541.34 35304.62 4399.55 o
7 5 0 21978.09 21876.21 2936.20 o
9 5 0 66045.87 58652.77 5283.59 o
0 6 0 128488.48 127149.23 4718.52 o
2 6 0 130492.28 134351.38 3094.53 o
4 6 0 22557.02 22772.66 1572.20 o
6 6 0 171858.09 174827.44 7141.83 o
8 6 0 4216.10 2894.16 1715.51 o
1 7 0 494.90 589.93 1209.15 o
3 7 0 1870.11 2238.57 1505.48 o
5 7 0 177.22 499.68 1301.63 o
0 8 0 22033.50 17313.32 2763.95 o
2 8 0 37989.93 38477.30 4273.19 o
1 9 0 62235.65 60196.77 3886.86 o
0 10 0 7373.29 8135.72 2666.64 o
2 10 0 5042.51 6486.19 2561.15 o
1 11 0 12091.24 12698.31 3217.09 o
0 12 0 56347.47 45486.30 5749.29 o
1 1 1 51011.87 52383.91 674.13 o
3 1 1 11853.86 12047.04 437.46 o
5 1 1 33892.30 33613.93 1018.73 o
7 1 1 3305.05 3850.67 1265.04 o
0 2 1 2144.33 2047.14 249.57 o
2 2 1 138576.11 139903.97 1510.54 o
4 2 1 631.90 381.78 268.52 o
6 2 1 50243.47 49781.66 1622.99 o
8 2 1 2915.22 2394.13 1215.58 o
1 3 1 4148.93 4096.43 316.37 o
3 3 1 4156.25 4074.49 376.82 o
5 3 1 14859.53 13883.52 983.11 o
7 3 1 6751.12 7176.75 1796.34 o
9 3 1 10523.23 7378.21 1969.58 o
0 4 1 129798.12 136396.45 2181.32 o
2 4 1 696.07 590.99 243.67 o
4 4 1 64081.39 64080.80 1358.11 o
6 4 1 633.09 538.70 600.13 o
8 4 1 13344.57 13105.23 3406.12 o
10 4 1 1687.16 2295.07 1721.30 o
1 5 1 30908.87 30902.32 984.20 o
3 5 1 39627.89 39233.62 1119.89 o
5 5 1 5705.50 4801.48 746.77 o
7 5 1 33279.85 27668.62 2249.53 o
9 5 1 421.20 1137.45 1115.45 o
0 6 1 9880.94 10009.81 1127.75 o
2 6 1 55.60 -325.69 392.00 o
4 6 1 3060.33 4020.18 639.95 o
6 6 1 987.89 -268.85 751.00 o
8 6 1 872.56 407.66 1000.28 o
1 7 1 14482.25 10827.26 1196.75 o
3 7 1 14728.53 13250.61 1167.45 o
5 7 1 7112.50 4185.29 1604.98 o
7 7 1 7657.61 6209.78 2037.01 o
0 8 1 64771.01 59234.23 7192.72 o
2 8 1 4740.21 5173.99 1407.69 o
1 9 1 1238.46 1247.76 927.50 o
3 9 1 5040.00 5974.09 2258.80 o
0 10 1 254.95 453.01 1300.56 o
2 10 1 34192.82 30854.41 4856.78 o
1 11 1 20138.89 20608.11 2261.17 o
0 12 1 127.33 -518.18 2405.84 o
0 0 2 2644.62 2372.08 568.31 o
2 0 2 1192.17 1478.66 249.91 o
4 0 2 56210.02 53679.07 1411.21 o
6 0 2 49265.71 52566.36 1977.65 o
1 1 2 14815.50 14241.92 472.93 o
3 1 2 1249.88 1827.76 285.54 o
5 1 2 10115.99 10241.63 607.82 o
7 1 2 6916.74 6580.57 1051.67 o
0 2 2 1819.06 1999.04 516.28 o
2 2 2 580.37 225.63 163.38 o
4 2 2 8950.89 10162.30 546.35 o
6 2 2 16340.82 13447.75 1285.20 o
8 2 2 20809.43 21651.22 2663.91 o
1 3 2 651.22 538.22 209.73 o
3 3 2 89195.52 90634.34 1310.25 o
5 3 2 1957.75 2350.63 451.64 o
7 3 2 2265.50 2567.82 952.31 o
9 3 2 9245.59 8204.63 2018.75 o
0 4 2 79691.90 76909.41 1802.83 o
2 4 2 5488.15 5206.57 425.81 o
4 4 2 26364.52 27024.95 1203.52 o
6 4 2 8292.37 7681.99 951.52 o
8 4 2 707.90 1005.57 1246.17 o
10 4 2 8975.79 7660.68 2253.14 o
1 5 2 588.88 427.82 288.63 o
3 5 2 66410.60 68268.31 1597.53 o
5 5 2 13842.49 15338.94 1098.46 o
7 5 2 20451.93 16451.33 1820.20 o
9 5 2 741.50 1172.13 1548.45 o
0 6 2 51984.18 52230.73 1810.10 o
2 6 2 118657.20 119660.69 2011.52 o
4 6 2 487.92 453.33 515.24 o
6 6 2 2499.76 2268.94 977.98 o
8 6 2 7466.96 4938.03 1857.94 o
1 7 2 51396.34 52464.34 1943.56 o
3 7 2 934.47 -316.27 715.08 o
5 7 2 94823.22 94207.99 5303.28 o
7 7 2 207.21 296.11 1480.53 o
0 8 2 41724.47 39750.84 2884.32 o
2 8 2 42578.55 43865.56 3118.30 o
4 8 2 272.92 1287.19 1148.36 o
1 9 2 3253.83 2722.79 1049.92 o
3 9 2 43593.09 41363.31 4719.10 o
0 10 2 46314.92 43887.09 3472.91 o
2 10 2 11466.10 10785.88 1875.48 o
1 11 2 68.89 1370.26 1239.67 o
3 11 2 15712.78 6689.00 2489.07 o
1 1 3 142692.02 139831.30 2306.44 o
3 1 3 126584.70 129782.52 1713.58 o
5 1 3 107993.70 104524.02 1609.55 o
7 1 3 24229.01 24744.89 1720.93 o
9 1 3 52763.20 45377.04 3971.96 o
0 2 3 5587.70 4430.91 509.97 o
2 2 3 248588.58 258345.25 4917.13 o
4 2 3 31940.25 33147.89 1366.82 o
6 2 3 71641.10 72067.52 2046.82 o
8 2 3 15073.89 14183.15 2180.60 o
10 2 3 26276.13 24620.68 3307.07 o
1 3 3 805.10 761.00 230.78 o
3 3 3 7160.48 7916.75 494.40 o
5 3 3 4004.45 4634.06 629.71 o
7 3 3 19888.34 20277.13 4521.34 o
9 3 3 5212.85 8911.53 2048.91 o
0 4 3 242538.70 248072.56 3937.19 o
2 4 3 27386.18 30608.43 912.25 o
4 4 3 171293.08 172386.41 2373.30 o
6 4 3 20101.74 19655.59 1370.65 o
8 4 3 50172.69 42955.62 4021.09 o
1 5 3 42487.39 41917.92 1022.75 o
3 5 3 94816.35 99814.80 1750.10 o
5 5 3 16235.24 19104.30 1197.93 o
7 5 3 38574.44 35304.30 3683.33 o
9 5 3 5921.74 2530.37 1672.51 o
0 6 3 6075.07 5399.93 1432.34 o
2 6 3 9352.49 9327.54 774.09 o
4 6 3 677.13 52.67 526.47 o
6 6 3 7997.97 6840.10 1858.19 o
8 6 3 2934.61 2992.56 1807.88 o
1 7 3 59352.47 59817.54 2014.26 o
3 7 3 53936.55 54261.13 2286.85 o
5 7 3 34205.92 40461.14 4239.20 o
7 7 3 32963.90 34361.27 4101.08 o
0 8 3 47271.59 42784.55 4122.24 o
2 8 3 5172.57 5732.90 1095.80 o
4 8 3 43170.24 45983.25 3266.92 o
6 8 3 2385.36 3492.21 1869.50 o
1 9 3 8483.75 10158.02 1768.56 o
3 9 3 3.40 -178.89 1671.73 o
0 10 3 7647.50 7595.09 1887.49 o
2 10 3 65527.43 62507.89 3967.24 o
1 11 3 8437.45 5002.59 1694.01 o
3 11 3 2572.48 1598.03 2054.61 o
0 0 4 778166.50 732443.75 15776.84 o
2 0 4 4265.07 3844.23 587.06 o
4 0 4 213856.81 204587.88 3261.71 o
6 0 4 78156.37 82506.19 2408.63 o
8 0 4 26254.04 26169.28 2671.34 o
1 1 4 4072.95 3494.22 604.26 o
3 1 4 116627.47 111809.01 1990.80 o
5 1 4 9868.83 9833.55 563.69 o
7 1 4 52369.79 50970.67 2866.14 o
9 1 4 535.38 -900.68 1184.45 o
0 2 4 8362.71 8730.20 806.52 o
2 2 4 174222.81 169895.94 3087.77 o
4 2 4 7934.08 7824.21 487.94 o
6 2 4 10064.54 8235.71 1224.78 o
8 2 4 31823.48 31810.99 3229.35 o
10 2 4 1381.12 3016.84 1616.39 o
1 3 4 157155.33 157096.36 1891.09 o
3 3 4 12624.18 10457.55 945.35 o
5 3 4 139789.67 135955.84 2495.93 o
7 3 4 24173.23 22869.90 1824.42 o
9 3 4 14231.78 16749.14 2742.12 o
0 4 4 7004.96 8054.19 827.03 o
2 4 4 32699.62 33572.04 1068.89 o
4 4 4 26619.10 26518.76 1080.29 o
6 4 4 95.36 226.78 692.99 o
8 4 4 35312.04 34173.54 3737.25 o
1 5 4 22848.86 24662.52 1662.84 o
3 5 4 70617.18 72424.92 1497.37 o
5 5 4 12195.81 12107.01 1477.06 o
7 5 4 8114.13 8120.61 1956.92 o
9 5 4 37819.21 43358.10 4485.53 o
0 6 4 64976.12 70868.88 2128.41 o
2 6 4 86610.66 89441.04 1965.92 o
4 6 4 11079.18 13081.62 1599.60 o
6 6 4 112968.59 114965.16 3757.22 o
8 6 4 974.30 438.02 1499.12 o
1 7 4 1390.96 1256.54 531.08 o
3 7 4 7908.49 10597.01 1151.48 o
5 7 4 809.64 1936.75 1193.07 o
7 7 4 59.24 -493.50 1449.66 o
0 8 4 9852.64 11596.41 2297.05 o
2 8 4 13351.55 14891.73 1475.93 o
4 8 4 34709.54 39028.61 4158.45 o
6 8 4 222.97 -1523.71 1684.10 o
1 9 4 44464.22 45125.66 5023.20 o
3 9 4 10824.11 11234.07 1813.22 o
0 10 4 2857.29 2795.12 1869.59 o
2 10 4 11795.71 13634.02 2082.78 o
4 10 4 338.83 2054.25 1869.18 o
1 11 4 4698.61 4102.64 1638.52 o
3 11 4 38403.48 39596.67 4788.72 o
1 1 5 4813.12 4583.72 444.02 o
3 1 5 4380.56 4351.84 634.34 o
5 1 5 3392.28 2829.01 474.62 o
7 1 5 604.90 305.63 480.84 o
9 1 5 437.48 1233.79 1295.48 o
0 2 5 138.09 257.33 384.94 o
2 2 5 47896.68 50487.13 1583.47 o
4 2 5 6353.62 7968.54 921.44 o
6 2 5 25704.95 26294.63 1539.23 o
8 2 5 67.26 567.53 1190.58 o
10 2 5 214.38 -1264.61 1425.00 o
1 3 5 11713.97 12246.33 603.95 o
3 3 5 1126.95 738.70 474.63 o
5 3 5 21157.56 20284.84 1278.83 o
7 3 5 1135.16 1443.83 1730.52 o
9 3 5 12784.80 12368.72 2420.64 o
0 4 5 40441.63 41818.45 1382.31 o
2 4 5 20338.82 20082.63 745.13 o
4 4 5 12078.75 12594.84 791.73 o
6 4 5 4151.51 4407.22 1712.53 o
8 4 5 801.62 851.34 1431.25 o
1 5 5 15036.57 15706.87 783.78 o
3 5 5 11198.81 12690.54 915.27 o
5 5 5 958.27 1068.06 583.44 o
7 5 5 22188.19 23731.53 1941.89 o
9 5 5 622.21 104.87 1739.67 o
0 6 5 40699.08 39147.47 1865.41 o
2 6 5 6719.74 7466.60 698.08 o
4 6 5 12191.97 12027.01 2013.02 o
6 6 5 12363.93 14035.00 1570.75 o
8 6 5 7333.59 6857.46 2252.90 o
1 7 5 534.16 1203.48 603.43 o
3 7 5 955.92 644.97 579.93 o
5 7 5 117.03 -207.50 1028.45 o
7 7 5 247.92 1338.65 1770.47 o
0 8 5 60813.75 60222.34 4138.93 o
2 8 5 3818.16 4309.24 1013.73 o
4 8 5 30826.69 28703.69 2746.70 o
6 8 5 5822.34 6653.05 2443.98 o
1 9 5 13936.86 13865.13 1894.21 o
3 9 5 13392.51 12298.18 1824.85 o
0 10 5 6155.32 6005.28 2314.47 o
2 10 5 13037.01 11662.82 2036.61 o
4 10 5 1354.22 289.96 1659.57 o
1 11 5 26881.18 23641.49 2832.81 o
0 0 6 61661.98 55074.30 2687.62 o
2 0 6 14061.79 13162.33 1096.18 o
4 0 6 88065.95 91625.81 2002.44 o
6 0 6 891.09 455.35 582.53 o
8 0 6 55945.66 59298.33 3365.98 o
1 1 6 29900.02 29035.86 1044.35 o
3 1 6 1878.48 1585.30 598.64 o
5 1 6 14761.41 15857.55 690.98 o
7 1 6 17540.65 17164.56 1110.17 o
9 1 6 3079.98 999.59 1499.38 o
0 2 6 23578.26 25248.38 3306.78 o
2 2 6 8245.30 7587.14 580.36 o
4 2 6 102.29 139.42 514.92 o
6 2 6 36928.03 35789.09 1144.00 o
8 2 6 2954.04 2713.09 1172.36 o
1 3 6 32340.55 34021.59 1245.80 o
3 3 6 93481.35 94981.27 2573.41 o
5 3 6 7082.64 7323.82 2061.94 o
7 3 6 24182.50 25987.19 1647.71 o
9 3 6 20459.76 24127.83 3460.07 o
0 4 6 85793.32 86531.46 2118.64 o
2 4 6 3910.75 4588.60 558.01 o
4 4 6 12689.33 14916.07 1641.81 o
6 4 6 11480.79 11311.03 1621.07 o
8 4 6 168.30 43.85 1681.01 o
1 5 6 17403.43 15800.99 805.64 o
3 5 6 6543.72 6717.98 619.33 o
5 5 6 40146.00 41627.80 2606.68 o
7 5 6 1933.18 461.53 945.36 o
0 6 6 5613.68 6555.05 882.05 o
2 6 6 132799.30 134851.78 2431.58 o
4 6 6 2331.50 1866.02 699.98 o
6 6 6 16590.53 19416.92 1696.87 o
8 6 6 17327.41 17172.20 3162.65 o
1 7 6 28014.77 27581.12 1602.60 o
3 7 6 2268.18 2762.73 692.30 o
5 7 6 52138.70 54386.91 2380.41 o
7 7 6 441.37 2152.97 1875.36 o
0 8 6 60543.79 55115.23 4466.79 o
2 8 6 5138.46 4825.31 1242.07 o
4 8 6 14620.27 15557.11 2473.07 o
6 8 6 4632.15 3554.51 2227.74 o
1 9 6 8248.44 7223.75 1521.19 o
3 9 6 45801.69 43752.61 3195.92 o
5 9 6 394.10 1209.11 1647.11 o
0 10 6 21181.72 18797.78 3238.01 o
2 10 6 975.25 135.78 1335.63 o
4 10 6 2258.13 1079.72 1783.08 o
1 11 6 2897.36 1200.91 1448.41 o
1 1 7 119146.02 116290.62 2343.56 o
3 1 7 108448.55 107798.58 2089.34 o
5 1 7 99747.46 102165.74 1792.00 o
7 1 7 29006.84 31615.01 1420.56 o
9 1 7 53245.83 55231.29 4986.67 o
0 2 7 10599.13 11083.27 1139.14 o
2 2 7 174178.28 162397.55 3168.86 o
4 2 7 29480.75 31215.81 1840.10 o
6 2 7 62314.30 59794.86 1433.50 o
8 2 7 15922.21 18800.16 1650.26 o
1 3 7 1245.46 1631.79 391.57 o
3 3 7 6797.14 7607.07 1036.36 o
5 3 7 1586.84 1724.60 952.59 o
7 3 7 16957.28 18950.69 1569.20 o
9 3 7 2970.00 4954.64 2029.98 o
0 4 7 196928.61 200276.55 5392.96 o
2 4 7 33242.99 31682.47 1047.11 o
4 4 7 148420.84 152031.11 3788.50 o
6 4 7 24891.84 27594.02 3190.35 o
8 4 7 50832.55 53501.39 2363.20 o
1 5 7 37881.05 37151.95 1289.74 o
3 5 7 75519.08 75575.55 1608.26 o
5 5 7 16418.01 15905.27 1713.42 o
7 5 7 34095.08 35317.17 4806.67 o
0 6 7 9853.65 8931.65 1469.69 o
2 6 7 12828.18 15232.22 978.03 o
4 6 7 2767.06 1940.63 596.44 o
6 6 7 11108.27 8552.06 1246.32 o
1 7 7 57175.50 55998.33 2286.36 o
3 7 7 52763.57 55179.04 1920.86 o
5 7 7 35006.34 35358.32 1821.77 o
7 7 7 33825.34 31221.18 4255.18 o
0 8 7 35273.59 29321.04 3378.91 o
2 8 7 3927.40 4229.55 1008.68 o
4 8 7 32281.74 30571.49 2134.57 o
6 8 7 1990.78 6854.54 2634.46 o
1 9 7 11254.17 9854.59 2855.76 o
3 9 7 513.20 511.59 1147.85 o
5 9 7 14572.52 12697.17 2377.63 o
0 10 7 10683.27 7612.54 2432.56 o
2 10 7 61383.83 63439.66 5439.12 o
0 0 8 158601.52 155127.27 5543.18 o
2 0 8 6941.10 5319.15 1145.31 o
4 0 8 63743.54 67607.20 3534.78 o
6 0 8 4287.19 3820.01 1129.34 o
8 0 8 1275.07 746.50 1122.83 o
1 1 8 344.93 350.79 403.07 o
3 1 8 55497.08 54060.00 1563.88 o
5 1 8 12643.41 13738.39 942.33 o
7 1 8 17064.68 19389.85 1302.48 o
9 1 8 15.87 -290.20 1816.70 o
0 2 8 28574.45 25132.86 1789.07 o
2 2 8 43000.43 41136.08 1438.02 o
4 2 8 397.33 -21.60 414.98 o
6 2 8 86.22 160.81 399.11 o
8 2 8 5220.83 5214.21 896.17 o
1 3 8 22844.32 24434.45 1246.03 o
3 3 8 716.32 628.82 435.70 o
5 3 8 33565.12 34330.77 3635.97 o
7 3 8 490.59 351.63 1227.63 o
0 4 8 882.87 -219.76 489.45 o
2 4 8 19627.20 20869.32 1091.90 o
4 4 8 23407.19 23682.04 2171.28 o
6 4 8 806.09 -1122.79 1202.99 o
8 4 8 21209.84 27094.87 3571.46 o
1 5 8 65.13 113.91 421.67 o
3 5 8 5026.08 4785.14 714.90 o
5 5 8 184.70 -403.06 1004.90 o
7 5 8 151.23 629.22 1579.22 o
0 6 8 7868.21 7745.17 2299.67 o
2 6 8 28737.50 28161.07 1329.65 o
4 6 8 581.18 328.35 548.72 o
6 6 8 37357.18 38804.39 1454.94 o
1 7 8 4735.70 4970.94 1016.41 o
3 7 8 20971.82 19436.62 1750.91 o
5 7 8 5043.15 5201.95 831.79 o
0 8 8 132.62 2578.57 1579.22 o
2 8 8 309.96 310.30 852.50 o
4 8 8 2099.78 1434.91 1449.25 o
1 9 8 18569.21 21842.31 2279.72 o
3 9 8 3660.85 2312.05 2304.70 o
0 10 8 254.81 -1024.03 1610.08 o
2 10 8 26142.97 29433.45 4292.77 o
1 1 9 3964.21 3977.18 619.63 o
3 1 9 225.21 491.33 477.40 o
5 1 9 4388.39 4665.09 695.90 o
7 1 9 189.84 260.75 777.27 o
0 2 9 89.88 217.00 649.66 o
2 2 9 38673.73 36754.04 1538.20 o
4 2 9 501.83 171.89 473.62 o
6 2 9 17258.68 20669.38 2202.53 o
8 2 9 280.30 -462.47 766.88 o
1 3 9 3723.94 3828.75 656.92 o
3 3 9 624.60 1129.85 518.58 o
5 3 9 10797.27 11105.65 1729.42 o
7 3 9 1824.05 2492.55 1684.32 o
0 4 9 28842.59 29185.18 1701.87 o
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