#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2216155.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_2216155_Fobs
loop_
_publ_author_name
'Gulay, L. D.'
'Daszkiewicz, M.'
'Huch, M. R.'
'Pietraszko, A.'
_publ_section_title
;
 Ce~3~Mg~0.5~GeS~7~ from single-crystal data
;
_journal_coeditor_code           WM2149
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i187
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.2626
_cell_length_b                   10.2626
_cell_length_c                   5.7679
_exptl_crystal_F_000             648.00
_reflns_d_resolution_high        0.7200
_[local]_cod_data_source_file    wm2149Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Ce3Mg0.5GeS7 in P6(3)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            282.97
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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'
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 2 -7 4791.73 4716.39 196.08 o
-2 3 -7 25.72 84.62 77.58 o
-1 3 -7 273.56 365.35 105.29 o
0 3 -7 1512.88 1455.64 123.48 o
-3 4 -7 78.25 57.55 69.94 o
-2 4 -7 319.00 267.73 92.03 o
-1 4 -7 13132.12 13561.82 185.48 o
0 4 -7 1113.40 1252.29 114.79 o
-4 5 -7 7441.57 7775.85 282.39 o
-3 5 -7 690.01 692.24 112.10 o
-2 5 -7 4814.10 4912.02 184.52 o
-1 5 -7 509.81 539.66 116.97 o
-3 6 -7 7065.85 7618.71 224.48 o
-2 6 -7 1281.51 1364.65 233.03 o
-2 3 -6 11936.95 12361.84 318.47 o
-1 3 -6 497.77 563.76 121.30 o
0 3 -6 1382.29 1388.03 117.75 o
-3 4 -6 7837.47 7637.82 160.67 o
-2 4 -6 3114.39 3068.80 114.88 o
-1 4 -6 4182.56 4249.19 96.33 o
0 4 -6 1169.54 1309.49 178.92 o
-4 5 -6 3485.80 3551.01 115.38 o
-3 5 -6 710.60 734.58 108.33 o
-2 5 -6 836.44 842.08 102.60 o
-1 5 -6 2043.99 2171.23 88.37 o
0 5 -6 310.09 349.64 72.73 o
-5 6 -6 2782.63 2794.65 126.00 o
-4 6 -6 1331.83 1262.22 230.88 o
-3 6 -6 7672.62 7977.40 164.02 o
-2 6 -6 1461.72 1587.55 101.51 o
-1 6 -6 16350.39 16746.62 244.91 o
0 6 -6 1056.46 1013.31 133.94 o
-6 7 -6 1517.21 1749.92 209.06 o
-5 7 -6 5197.67 5122.31 159.04 o
-4 7 -6 6272.82 6404.81 170.11 o
-3 7 -6 1860.22 1746.30 198.04 o
-2 7 -6 952.28 890.82 174.17 o
-1 7 -6 2.61 49.76 71.91 o
0 7 -6 1176.90 1048.50 122.24 o
-7 8 -6 2970.41 3135.11 302.58 o
-6 8 -6 185.18 129.73 73.40 o
-5 8 -6 2743.57 2927.88 176.70 o
-4 8 -6 2620.51 2475.80 153.65 o
-3 8 -6 1681.68 1428.82 206.85 o
-6 9 -6 3375.52 3478.08 293.50 o
-2 3 -5 2651.86 2772.02 105.56 o
-1 3 -5 2105.59 2357.93 125.23 o
0 3 -5 5858.53 5707.89 179.35 o
-3 4 -5 1029.23 1062.88 77.13 o
-2 4 -5 390.93 443.03 77.88 o
-1 4 -5 29430.92 30957.25 380.53 o
0 4 -5 168.07 214.16 45.47 o
-4 5 -5 15752.24 16157.19 211.44 o
-3 5 -5 409.88 479.21 73.52 o
-1 5 -5 799.26 733.83 63.48 o
0 5 -5 1353.71 1354.30 62.76 o
-5 6 -5 5841.96 5903.06 137.93 o
-4 6 -5 255.26 229.57 72.38 o
-3 6 -5 12289.35 12628.44 262.41 o
-2 6 -5 2080.66 2065.70 69.97 o
-1 6 -5 3288.57 3377.44 85.27 o
0 6 -5 1965.19 1886.57 94.98 o
-6 7 -5 23906.27 24421.48 604.95 o
-5 7 -5 459.05 439.95 133.84 o
-4 7 -5 1628.37 1596.27 152.63 o
-3 7 -5 3651.72 3734.57 121.86 o
-2 7 -5 1004.08 772.51 120.23 o
-1 7 -5 656.45 578.99 95.26 o
0 7 -5 1716.40 1634.32 118.77 o
-7 8 -5 722.37 601.98 99.66 o
-6 8 -5 2268.88 2107.65 120.03 o
-5 8 -5 1130.89 1168.82 119.41 o
-4 8 -5 3131.57 3184.04 129.96 o
-3 8 -5 18380.96 19002.78 376.76 o
-2 8 -5 10753.18 9919.97 283.36 o
-1 8 -5 6444.63 6443.33 232.95 o
0 8 -5 643.21 474.06 130.05 o
-8 9 -5 1329.61 1424.76 158.61 o
-7 9 -5 6424.80 6671.22 183.72 o
-6 9 -5 638.39 641.13 119.44 o
-5 9 -5 3317.81 3491.79 196.52 o
-4 9 -5 1182.66 1302.04 145.93 o
-3 9 -5 18.48 36.19 79.79 o
-2 9 -5 78.78 47.09 71.62 o
-1 9 -5 14.51 62.52 93.86 o
-8 10 -5 1847.76 1809.08 244.43 o
-7 10 -5 2126.88 2322.99 181.92 o
-6 10 -5 3784.22 4072.67 290.02 o
-5 10 -5 1360.74 1464.72 169.25 o
-4 10 -5 285.51 285.10 91.33 o
-3 10 -5 447.54 373.64 127.47 o
-2 3 -4 12098.29 12185.98 153.98 o
-1 3 -4 734.56 723.19 81.86 o
0 3 -4 3053.92 3152.13 79.59 o
-3 4 -4 29988.95 30560.81 394.06 o
-2 4 -4 11515.86 11848.40 222.77 o
-1 4 -4 6696.96 6792.21 110.52 o
0 4 -4 3988.03 4054.82 67.60 o
-4 5 -4 4701.53 4711.62 74.13 o
-3 5 -4 547.13 519.51 39.83 o
-2 5 -4 3845.28 3866.46 65.82 o
-1 5 -4 1014.38 1059.65 41.47 o
0 5 -4 12.67 34.59 20.77 o
-5 6 -4 584.14 555.59 55.36 o
-4 6 -4 397.44 386.20 41.78 o
-3 6 -4 1253.75 1205.51 45.92 o
-2 6 -4 134.25 179.99 33.83 o
-1 6 -4 23488.00 23831.27 274.30 o
0 6 -4 1459.55 1382.58 51.31 o
-6 7 -4 6171.10 6280.81 96.40 o
-5 7 -4 9471.73 9608.15 116.64 o
-4 7 -4 10236.57 10237.06 138.07 o
-3 7 -4 4213.68 4079.21 122.20 o
-2 7 -4 320.56 322.23 41.80 o
-1 7 -4 718.41 736.01 57.00 o
0 7 -4 2112.95 2078.15 73.98 o
-7 8 -4 498.78 523.38 58.90 o
-6 8 -4 246.29 261.67 45.60 o
-5 8 -4 8353.00 8573.24 136.18 o
-4 8 -4 3913.09 4070.12 74.48 o
-3 8 -4 3399.37 3448.30 78.83 o
-2 8 -4 2044.49 2029.43 69.70 o
-1 8 -4 1954.44 1995.97 88.07 o
0 8 -4 14979.17 15276.91 176.21 o
-8 9 -4 2223.45 2276.50 87.51 o
-7 9 -4 4817.82 4963.37 94.73 o
-6 9 -4 2055.64 1944.59 77.61 o
-5 9 -4 6109.35 6173.53 95.20 o
-4 9 -4 742.35 604.51 66.52 o
-3 9 -4 8129.07 8186.24 138.60 o
-2 9 -4 1559.90 1591.04 75.93 o
-1 9 -4 590.91 616.89 74.01 o
0 9 -4 5235.26 5383.23 144.22 o
-9 10 -4 1862.99 1766.96 108.31 o
-8 10 -4 609.71 623.51 75.87 o
-7 10 -4 3125.47 3261.87 96.28 o
-6 10 -4 2332.84 2345.80 101.22 o
-5 10 -4 2717.99 2682.33 91.11 o
-4 10 -4 6146.18 6069.17 107.39 o
-3 10 -4 3412.54 3483.01 98.17 o
-2 10 -4 3389.15 3442.77 96.80 o
-1 10 -4 1967.96 2133.34 137.53 o
0 10 -4 1853.04 1993.67 133.15 o
-9 11 -4 3107.26 3212.44 290.88 o
-8 11 -4 1208.11 1220.00 102.93 o
-7 11 -4 17634.37 18022.56 233.54 o
-6 11 -4 451.21 441.73 75.54 o
-5 11 -4 3693.88 3815.60 122.66 o
-4 11 -4 149.05 132.88 55.15 o
-3 11 -4 2970.09 2967.37 132.59 o
-2 11 -4 1048.69 999.44 134.60 o
-1 11 -4 732.01 760.16 207.84 o
-7 12 -4 299.13 209.11 186.46 o
-6 12 -4 1934.78 2116.71 253.10 o
-5 12 -4 143.34 337.93 161.73 o
-4 12 -4 3017.11 2988.74 324.93 o
0 1 -3 4464.90 4588.28 86.02 o
-1 2 -3 6743.06 7122.53 164.60 o
0 2 -3 25891.14 25210.19 878.92 o
-2 3 -3 7471.58 7560.32 71.66 o
-1 3 -3 3215.52 3251.10 47.66 o
0 3 -3 7472.05 7422.55 64.63 o
-3 4 -3 2533.39 2503.77 51.09 o
-2 4 -3 972.14 1016.76 32.79 o
-1 4 -3 33376.39 34025.29 132.45 o
0 4 -3 9471.54 9546.57 92.75 o
-4 5 -3 23894.41 23804.66 187.81 o
-3 5 -3 5865.08 5861.51 73.48 o
-2 5 -3 6637.40 6741.35 63.18 o
-1 5 -3 1137.32 1137.72 34.14 o
0 5 -3 13314.67 13468.08 99.59 o
-5 6 -3 4016.48 4015.61 71.15 o
-4 6 -3 4521.44 4491.15 63.72 o
-3 6 -3 20458.56 20716.59 156.81 o
-2 6 -3 4624.81 4675.46 57.80 o
-1 6 -3 1758.50 1844.26 44.30 o
0 6 -3 4933.49 4912.26 83.14 o
-6 7 -3 22744.99 23101.31 188.54 o
-5 7 -3 989.84 982.83 43.70 o
-4 7 -3 1740.19 1768.75 47.55 o
-3 7 -3 11302.62 11231.69 105.95 o
-2 7 -3 988.16 1015.27 46.91 o
-1 7 -3 6648.23 6743.40 79.56 o
0 7 -3 11285.00 11294.09 105.87 o
-7 8 -3 1271.26 1175.03 48.73 o
-6 8 -3 925.29 1034.90 52.00 o
-5 8 -3 1467.43 1440.98 64.70 o
-4 8 -3 6496.53 6445.95 86.98 o
-3 8 -3 17545.75 17504.54 228.47 o
-2 8 -3 8344.95 8329.03 117.62 o
-1 8 -3 14057.46 13907.50 226.31 o
0 8 -3 529.61 513.78 52.31 o
-8 9 -3 210.60 212.67 52.08 o
-7 9 -3 12382.45 12407.57 131.31 o
-6 9 -3 1713.69 1741.82 62.25 o
-5 9 -3 19762.06 19696.43 218.32 o
-4 9 -3 739.81 659.04 54.37 o
-3 9 -3 39.90 107.80 48.35 o
-2 9 -3 1562.92 1511.51 63.54 o
-1 9 -3 4404.00 4463.20 104.32 o
0 9 -3 727.04 715.13 69.99 o
-9 10 -3 499.23 474.48 76.88 o
-8 10 -3 2600.14 2575.39 85.38 o
-7 10 -3 967.65 901.10 71.00 o
-6 10 -3 2512.77 2423.30 74.11 o
-5 10 -3 1353.91 1317.44 67.72 o
-4 10 -3 680.04 644.97 65.00 o
-3 10 -3 655.56 580.80 57.62 o
-2 10 -3 14575.86 14473.76 178.76 o
-1 10 -3 2141.53 2084.98 74.32 o
0 10 -3 12549.07 12637.78 138.39 o
-10 11 -3 590.23 574.22 82.46 o
-9 11 -3 7940.56 7901.77 166.51 o
-8 11 -3 972.59 1039.30 74.14 o
-7 11 -3 291.57 350.33 65.88 o
-6 11 -3 3142.29 3158.46 94.20 o
-5 11 -3 7209.65 7139.54 146.07 o
-4 11 -3 5154.23 5107.17 111.40 o
-3 11 -3 1981.89 2010.38 98.95 o
-2 11 -3 3557.14 3546.07 102.99 o
-1 11 -3 1588.52 1568.89 90.26 o
0 11 -3 2942.62 2956.92 277.42 o
-10 12 -3 502.38 432.05 251.45 o
-9 12 -3 3319.47 3172.30 158.23 o
-8 12 -3 833.59 782.40 94.00 o
-7 12 -3 2578.49 2595.03 114.16 o
-6 12 -3 2123.75 2049.47 106.71 o
-5 12 -3 180.10 183.28 64.81 o
-4 12 -3 8841.26 8649.00 161.70 o
-3 12 -3 59.84 41.46 38.43 o
-2 12 -3 1375.41 1190.01 237.88 o
-8 13 -3 3220.82 3225.11 275.22 o
-7 13 -3 4791.53 4371.40 265.43 o
-6 13 -3 415.37 359.57 186.26 o
-5 13 -3 24.88 63.11 99.30 o
0 1 -2 5072.33 5310.98 62.64 o
-1 2 -2 13695.64 14213.56 269.99 o
0 2 -2 30628.96 30093.07 1340.38 o
-2 3 -2 27876.13 28137.11 293.20 o
-1 3 -2 5939.48 6029.51 44.66 o
0 3 -2 2481.84 2564.38 41.44 o
-3 4 -2 14804.09 14729.85 89.88 o
-2 4 -2 23198.20 23661.03 235.40 o
-1 4 -2 20711.46 20905.78 97.22 o
0 4 -2 7399.81 7412.98 48.48 o
-4 5 -2 3406.35 3428.26 47.55 o
-3 5 -2 972.79 911.59 29.63 o
-2 5 -2 4739.53 4839.81 47.71 o
-1 5 -2 3076.11 3037.98 36.48 o
0 5 -2 424.42 428.51 25.31 o
-5 6 -2 12791.78 12619.79 111.49 o
-4 6 -2 1830.53 1861.18 36.17 o
-3 6 -2 11409.31 11532.48 66.83 o
-2 6 -2 1851.52 1820.22 32.92 o
-1 6 -2 31785.98 32287.41 288.35 o
0 6 -2 1537.20 1548.08 38.39 o
-6 7 -2 6890.56 6828.21 72.80 o
-5 7 -2 24368.91 24178.54 152.85 o
-4 7 -2 10722.03 10563.29 113.32 o
-3 7 -2 8589.70 8664.31 81.68 o
-2 7 -2 1599.15 1558.42 41.41 o
-1 7 -2 917.14 931.19 40.40 o
0 7 -2 5604.09 5587.35 73.10 o
-7 8 -2 3588.24 3545.05 52.83 o
-6 8 -2 2114.25 2081.68 44.98 o
-5 8 -2 3074.12 3059.35 52.61 o
-4 8 -2 2957.65 2948.57 57.22 o
-3 8 -2 7455.33 7404.19 108.71 o
-2 8 -2 1923.28 1848.88 48.36 o
-1 8 -2 828.31 825.27 47.94 o
0 8 -2 12546.74 12778.38 156.82 o
-8 9 -2 5328.11 5319.03 122.59 o
-7 9 -2 4865.87 4911.86 69.50 o
-6 9 -2 3701.76 3645.93 62.81 o
-5 9 -2 5492.86 5371.78 71.36 o
-4 9 -2 1969.29 2003.90 62.84 o
-3 9 -2 17005.39 16877.52 147.87 o
-2 9 -2 1121.12 1119.22 54.27 o
-1 9 -2 987.15 973.25 55.90 o
0 9 -2 6761.95 6812.43 114.30 o
-9 10 -2 2115.56 2088.33 74.46 o
-8 10 -2 7745.56 7640.70 113.18 o
-7 10 -2 4214.14 4295.03 71.71 o
-6 10 -2 694.79 701.09 52.41 o
-5 10 -2 2283.34 2170.92 66.13 o
-4 10 -2 9932.46 10036.45 161.88 o
-3 10 -2 6052.33 6027.10 97.22 o
-2 10 -2 3828.90 3788.16 76.47 o
-1 10 -2 2550.43 2531.47 73.82 o
0 10 -2 9487.85 9461.88 119.25 o
-10 11 -2 571.16 632.63 72.21 o
-9 11 -2 3334.85 3224.69 92.59 o
-8 11 -2 2127.08 2128.23 70.05 o
-7 11 -2 30647.85 30867.01 198.29 o
-6 11 -2 481.62 530.31 59.61 o
-5 11 -2 5025.10 4969.75 101.42 o
-4 11 -2 5655.67 5734.64 103.32 o
-3 11 -2 2880.28 2875.44 81.90 o
-2 11 -2 83.32 101.26 35.70 o
-1 11 -2 538.08 580.22 66.64 o
0 11 -2 673.09 524.65 82.25 o
-11 12 -2 11370.65 11673.40 381.95 o
-10 12 -2 1237.88 1245.69 101.86 o
-9 12 -2 2827.45 2794.67 100.75 o
-8 12 -2 507.95 508.21 72.80 o
-7 12 -2 184.83 206.88 53.55 o
-6 12 -2 2477.12 2369.76 95.42 o
-5 12 -2 155.01 132.86 54.81 o
-4 12 -2 2496.83 2543.34 99.15 o
-3 12 -2 1021.34 964.79 81.97 o
-2 12 -2 11130.20 11107.59 130.93 o
-1 12 -2 783.06 831.55 163.06 o
-10 13 -2 1059.84 1122.28 247.84 o
-9 13 -2 2833.85 2692.45 211.90 o
-8 13 -2 2487.04 2314.24 168.91 o
-7 13 -2 4401.15 4274.85 176.84 o
-6 13 -2 6989.36 7145.26 186.34 o
-5 13 -2 4900.95 4578.27 313.97 o
-4 13 -2 1906.48 1756.55 245.64 o
-3 13 -2 275.16 261.81 141.71 o
0 1 -1 3304.40 3493.40 60.35 o
-1 2 -1 11636.35 12046.25 97.04 o
0 2 -1 44223.82 45146.05 747.35 o
-2 3 -1 3503.78 3618.18 30.26 o
0 3 -1 15191.01 15468.99 92.43 o
-3 4 -1 1365.04 1388.05 19.99 o
-2 4 -1 1401.07 1456.52 21.80 o
-1 4 -1 38376.94 37727.26 723.48 o
0 4 -1 12133.60 12189.49 79.04 o
-4 5 -1 35188.20 34556.32 315.90 o
-3 5 -1 10222.89 10104.87 77.10 o
-2 5 -1 6014.16 6047.43 47.29 o
-1 5 -1 1459.03 1487.96 24.52 o
0 5 -1 19257.29 19404.74 158.74 o
-5 6 -1 1673.01 1667.75 26.30 o
-4 6 -1 3263.48 3235.08 31.41 o
-3 6 -1 27678.24 27248.10 210.44 o
-2 6 -1 14259.66 14251.43 71.91 o
-1 6 -1 685.81 727.40 24.50 o
0 6 -1 5359.97 5475.71 89.05 o
-6 7 -1 22990.58 22589.88 208.87 o
-5 7 -1 1174.28 1145.07 28.97 o
-4 7 -1 97.60 125.37 23.17 o
-3 7 -1 21090.55 21031.22 159.87 o
-2 7 -1 1571.08 1582.58 31.11 o
-1 7 -1 10029.91 9820.38 143.46 o
0 7 -1 15316.10 15290.12 163.91 o
-7 8 -1 1587.76 1555.81 39.21 o
-6 8 -1 88.37 104.03 25.73 o
-5 8 -1 252.07 257.77 27.05 o
-4 8 -1 7656.93 7553.76 61.58 o
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0 8 -1 593.02 678.51 42.49 o
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-6 9 -1 1693.11 1714.31 62.64 o
-5 9 -1 21703.24 21628.22 113.95 o
-4 9 -1 95.14 121.61 25.72 o
-3 9 -1 44.46 110.15 39.52 o
-2 9 -1 1929.32 1849.75 55.50 o
-1 9 -1 3880.35 3744.43 71.68 o
0 9 -1 968.32 988.15 52.59 o
-9 10 -1 227.77 213.33 39.85 o
-8 10 -1 3123.31 3086.83 57.96 o
-7 10 -1 479.24 427.23 40.99 o
-6 10 -1 1034.02 1059.56 44.47 o
-5 10 -1 2043.53 1970.93 54.31 o
-4 10 -1 755.78 800.84 51.67 o
-3 10 -1 552.88 567.39 54.27 o
-2 10 -1 18122.99 17839.67 149.29 o
-1 10 -1 501.53 441.73 46.87 o
0 10 -1 12285.98 12151.44 169.09 o
-10 11 -1 669.18 623.68 60.24 o
-9 11 -1 10692.74 10718.18 124.01 o
-8 11 -1 160.90 158.71 45.83 o
-7 11 -1 367.88 337.22 43.24 o
-6 11 -1 1918.58 1840.17 65.43 o
-5 11 -1 11079.60 10671.00 118.38 o
-4 11 -1 6446.49 6294.24 87.66 o
-3 11 -1 4048.31 4126.59 79.61 o
-2 11 -1 5639.19 5445.58 73.62 o
-1 11 -1 2581.94 2608.54 70.70 o
0 11 -1 2912.14 2978.55 83.96 o
-11 12 -1 471.51 453.48 64.03 o
-10 12 -1 140.71 115.87 50.85 o
-9 12 -1 3652.62 3502.73 87.21 o
-8 12 -1 139.96 171.76 42.02 o
-7 12 -1 1325.81 1250.09 60.98 o
-6 12 -1 2817.73 2751.58 82.00 o
-5 12 -1 1230.07 1212.50 71.07 o
-4 12 -1 8450.55 8411.16 121.86 o
-3 12 -1 62.31 80.08 45.01 o
-2 12 -1 173.66 171.28 46.75 o
-1 12 -1 5783.73 5836.48 117.72 o
0 12 -1 6314.06 6552.93 212.13 o
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