#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/63/2226325.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_2226325_Fobs
loop_
_publ_author_name
'Mbarek, A\"icha'
'Fourati, Mohieddine'
'Zambon, Daniel'
'Avignant, Daniel'
_publ_section_title
;
 Lutetium(III) cyclotetraphosphate
;
_journal_coeditor_code           WM2342
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i46
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   14.6920
_cell_length_b                   14.6920
_cell_length_c                   14.6920
_exptl_crystal_F_000             3008.00
_reflns_d_resolution_high        0.7020
_[local]_cod_data_source_file    wm2342Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Lu4(P4O12)3_0m in I-43d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1218.57
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'y+1/4, x+1/4, z+1/4'
'-y+1/4, -x+3/4, z+3/4'
'y+3/4, -x+1/4, -z+3/4'
'-y+3/4, x+3/4, -z+1/4'
'x+1/4, z+1/4, y+1/4'
'-x+3/4, z+3/4, -y+1/4'
'-x+1/4, -z+3/4, y+3/4'
'x+3/4, -z+1/4, -y+3/4'
'z+1/4, y+1/4, x+1/4'
'z+3/4, -y+1/4, -x+3/4'
'-z+3/4, y+3/4, -x+1/4'
'-z+1/4, -y+3/4, x+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-x+1/2, y+1, -z+1'
'x+1, -y+1, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1, -x+1, -y+1/2'
'-z+1, -x+1/2, y+1'
'-z+1/2, x+1, -y+1'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1, -x+1'
'y+1, -z+1, -x+1/2'
'-y+1, -z+1/2, x+1'
'y+3/4, x+3/4, z+3/4'
'-y+3/4, -x+5/4, z+5/4'
'y+5/4, -x+3/4, -z+5/4'
'-y+5/4, x+5/4, -z+3/4'
'x+3/4, z+3/4, y+3/4'
'-x+5/4, z+5/4, -y+3/4'
'-x+3/4, -z+5/4, y+5/4'
'x+5/4, -z+3/4, -y+5/4'
'z+3/4, y+3/4, x+3/4'
'z+5/4, -y+3/4, -x+5/4'
'-z+5/4, y+5/4, -x+3/4'
'-z+3/4, -y+5/4, x+5/4'
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 2 4019.68 4608.33 233.22 o
0 1 3 283221.19 290541.09 3297.92 o
-1 2 3 202568.38 201615.19 2763.90 o
1 2 3 174061.12 173489.34 2133.86 o
-2 3 3 92476.17 94668.32 5228.37 o
2 3 3 123212.63 121314.64 2126.08 o
0 0 4 1484908.75 1613213.50 140181.25 o
-2 2 4 103103.84 100221.81 2398.34 o
0 2 4 37966.13 39374.52 675.93 o
2 2 4 110181.82 107887.45 1937.30 o
-1 3 4 108084.35 107791.12 1612.75 o
1 3 4 105718.67 104676.24 1525.75 o
-4 4 4 269737.62 259553.59 12199.53 o
0 4 4 320637.00 309500.09 6454.35 o
4 4 4 315335.16 310739.34 11903.25 o
0 1 5 106774.92 110114.79 1543.91 o
-1 2 5 130509.86 129361.07 1882.59 o
1 2 5 124319.72 124541.01 1618.37 o
-2 3 5 227619.64 216570.52 3545.35 o
0 3 5 352554.88 350594.34 5162.93 o
2 3 5 222434.08 217139.62 2565.82 o
-3 4 5 136613.70 134518.36 2686.74 o
-1 4 5 38159.97 37898.90 786.24 o
1 4 5 31519.23 31828.60 767.83 o
3 4 5 127544.77 123801.62 1650.82 o
-2 5 5 32901.82 29709.12 1614.00 o
2 5 5 29080.23 29136.12 930.38 o
-1 1 6 33088.02 30553.89 842.42 o
1 1 6 29455.24 27589.16 967.33 o
0 2 6 629.18 913.36 238.04 o
-3 3 6 142052.19 145269.05 3467.64 o
-1 3 6 175045.08 178906.83 2844.66 o
1 3 6 182513.19 187505.19 2850.13 o
3 3 6 144722.14 155100.58 2535.36 o
-2 4 6 74723.23 75794.09 1540.27 o
0 4 6 17250.44 18122.41 633.93 o
2 4 6 82267.34 84738.88 1287.68 o
-5 5 6 33790.93 33622.59 1836.18 o
-3 5 6 192364.83 188871.95 3728.09 o
-1 5 6 50428.65 50400.27 1026.51 o
1 5 6 47451.55 44676.34 1077.95 o
3 5 6 180409.25 178370.62 2335.30 o
5 5 6 27907.50 28475.30 1044.38 o
-4 6 6 165926.41 168247.45 4470.14 o
0 6 6 137748.14 132480.12 4448.28 o
4 6 6 165798.42 162101.17 3046.53 o
0 1 7 205174.28 215679.45 3273.27 o
-1 2 7 172358.98 179307.61 2595.87 o
1 2 7 165479.34 172887.27 2573.35 o
-2 3 7 21800.25 22402.18 675.20 o
0 3 7 55253.86 56932.15 1128.81 o
2 3 7 25782.90 26990.82 615.13 o
-3 4 7 80055.05 81160.55 1568.67 o
-1 4 7 126882.34 125263.77 2083.16 o
1 4 7 121401.41 121782.52 2072.21 o
3 4 7 84681.93 87003.75 1307.61 o
-4 5 7 125680.99 117637.86 2758.27 o
-2 5 7 167970.03 163743.98 2720.75 o
0 5 7 313590.91 309981.47 5056.31 o
2 5 7 173672.36 170309.86 2554.33 o
4 5 7 130604.14 128015.50 1726.60 o
-5 6 7 151676.59 153405.14 3739.78 o
-3 6 7 21848.43 22219.21 846.60 o
-1 6 7 126725.73 127401.98 2772.63 o
1 6 7 130280.15 126234.00 2781.18 o
3 6 7 23044.58 22905.04 605.32 o
5 6 7 154669.47 151904.22 2154.28 o
-6 7 7 1176.25 1087.72 993.39 o
-2 7 7 5873.44 6254.56 807.48 o
2 7 7 8211.35 9031.41 1065.92 o
6 7 7 3522.54 3507.84 541.68 o
0 0 8 118759.01 119712.78 3961.19 o
-2 2 8 692118.06 691187.75 12885.39 o
0 2 8 30465.63 31524.06 720.06 o
2 2 8 710516.06 712874.75 12877.56 o
-1 3 8 103576.50 105628.09 1975.22 o
1 3 8 101726.88 104951.73 1826.92 o
-4 4 8 133953.91 133984.58 3366.47 o
-2 4 8 16365.11 17245.06 618.87 o
0 4 8 44952.18 43395.09 1011.47 o
2 4 8 16463.62 16796.96 578.10 o
4 4 8 140236.06 140611.41 2444.20 o
-3 5 8 168052.55 168732.12 2868.93 o
-1 5 8 22503.06 22042.59 810.60 o
1 5 8 26613.62 25957.62 858.37 o
3 5 8 156229.14 151609.95 2485.58 o
-6 6 8 48270.36 48883.42 2325.44 o
-4 6 8 6212.02 7328.41 688.69 o
-2 6 8 198257.94 193718.94 3277.93 o
0 6 8 14.72 533.65 401.82 o
2 6 8 216896.34 211258.33 3316.66 o
4 6 8 6101.54 6272.39 364.31 o
6 6 8 44134.26 44131.35 1376.78 o
-5 7 8 187521.67 182449.94 3865.54 o
-3 7 8 51172.20 51235.88 1414.20 o
-1 7 8 156537.91 151929.14 3224.64 o
1 7 8 140919.98 140058.62 2902.72 o
3 7 8 52247.56 51896.61 1110.82 o
5 7 8 180973.72 174320.23 2390.45 o
-4 8 8 103170.78 101271.03 3400.67 o
0 8 8 492.70 268.36 580.43 o
4 8 8 99738.98 95089.22 2910.96 o
8 8 8 209211.88 203017.52 9341.35 o
0 1 9 90364.81 90113.15 1615.13 o
-1 2 9 8381.59 8926.52 443.47 o
1 2 9 7589.67 7986.58 451.24 o
-2 3 9 123473.27 123175.25 1955.82 o
0 3 9 312141.25 317935.00 4548.10 o
2 3 9 114261.35 114996.22 1915.36 o
-3 4 9 136201.08 135772.02 2337.18 o
-1 4 9 37151.69 35431.05 1023.02 o
1 4 9 34222.29 31504.15 907.19 o
3 4 9 130921.80 131530.09 1901.31 o
-4 5 9 18733.84 19213.14 813.78 o
-2 5 9 4828.94 5067.44 468.93 o
0 5 9 14730.89 14744.42 683.23 o
2 5 9 7147.50 8236.07 561.48 o
4 5 9 25845.99 26257.21 680.02 o
-5 6 9 21978.20 22784.21 1201.57 o
-3 6 9 56721.05 56281.09 1256.95 o
-1 6 9 780.65 1096.14 449.23 o
1 6 9 122.25 355.29 450.13 o
3 6 9 45107.32 45121.80 1110.54 o
5 6 9 27259.82 26669.38 713.38 o
-6 7 9 81594.64 84615.05 2987.48 o
-4 7 9 49772.73 49461.86 1342.52 o
-2 7 9 75643.97 76605.50 1873.40 o
0 7 9 149570.30 148414.12 3020.43 o
2 7 9 75576.82 78032.69 1672.03 o
4 7 9 53009.16 50699.31 1160.67 o
6 7 9 83482.95 80982.42 1542.39 o
-5 8 9 8914.57 8484.10 782.72 o
-3 8 9 91302.27 88497.92 2135.55 o
-1 8 9 15280.93 15970.62 864.10 o
1 8 9 19875.69 21208.54 944.19 o
3 8 9 84183.56 83158.44 1959.00 o
5 8 9 9446.19 9418.22 566.39 o
7 8 9 87918.55 81255.00 1860.74 o
-6 9 9 24135.16 26362.04 1871.78 o
-2 9 9 8036.61 8172.38 1254.84 o
2 9 9 7240.81 6465.75 1742.79 o
6 9 9 18348.54 19372.68 1226.81 o
-1 1 10 101550.20 100948.04 2702.42 o
1 1 10 117991.19 116696.01 2755.66 o
0 2 10 24348.23 25168.41 786.20 o
-3 3 10 115860.20 115279.45 2575.77 o
-1 3 10 185280.17 189156.75 3141.34 o
1 3 10 195149.77 201004.80 2984.47 o
3 3 10 100819.85 106432.30 2795.72 o
-2 4 10 30686.95 32466.43 912.94 o
0 4 10 3808.87 4695.72 489.39 o
2 4 10 34550.61 34448.52 855.87 o
-5 5 10 4501.63 5304.15 1205.94 o
-3 5 10 175883.83 174157.52 3355.01 o
-1 5 10 93290.02 96909.52 2108.59 o
1 5 10 112091.22 112179.51 1990.19 o
3 5 10 161706.25 163602.33 2809.89 o
5 5 10 4259.36 3825.31 626.31 o
-4 6 10 204546.41 201613.88 4291.01 o
-2 6 10 38370.27 37253.46 1268.95 o
0 6 10 322500.12 324634.75 5901.74 o
2 6 10 38682.89 37907.01 1082.09 o
4 6 10 207531.98 201488.45 3531.83 o
-7 7 10 4182.04 5228.37 1847.36 o
-5 7 10 120633.59 121637.23 2864.11 o
-3 7 10 6654.33 7400.46 778.55 o
-1 7 10 98798.91 93487.87 2444.58 o
1 7 10 100241.96 101409.33 3332.00 o
3 7 10 5742.93 6000.50 674.06 o
5 7 10 119812.75 116025.48 2176.57 o
7 7 10 4541.38 5052.12 805.59 o
-6 8 10 40621.33 42442.19 2544.47 o
-4 8 10 8440.87 9023.08 969.75 o
-2 8 10 37493.30 37674.20 1707.86 o
0 8 10 573.27 1646.78 702.36 o
2 8 10 44415.81 42942.28 1476.83 o
4 8 10 8481.42 8121.82 581.15 o
6 8 10 33486.49 30450.00 1014.13 o
-5 9 10 27483.14 27407.15 1712.74 o
-3 9 10 43693.14 40399.59 2060.04 o
-1 9 10 2222.00 795.09 1088.06 o
1 9 10 2538.07 3219.15 1158.20 o
3 9 10 48569.63 47564.75 1610.41 o
5 9 10 31418.28 29946.72 1059.48 o
7 9 10 109630.50 101702.58 2256.55 o
9 9 10 65372.62 65186.80 2454.47 o
-4 10 10 313542.19 318320.44 15231.98 o
0 10 10 621314.31 600443.19 25984.99 o
4 10 10 334361.91 328155.69 8384.50 o
8 10 10 56703.76 57386.75 3026.67 o
0 1 11 20867.36 22900.79 787.74 o
-1 2 11 942.85 1819.01 418.90 o
1 2 11 2076.62 2491.53 437.16 o
-2 3 11 29740.71 29663.92 964.53 o
0 3 11 70921.30 71959.24 1401.62 o
2 3 11 28251.34 28690.48 884.77 o
-3 4 11 142509.14 141200.84 2472.69 o
-1 4 11 52326.43 51690.25 1221.91 o
1 4 11 55576.02 56043.33 1184.01 o
3 4 11 132099.28 137066.27 2298.88 o
-4 5 11 40996.86 40579.16 1335.60 o
-2 5 11 51649.04 50707.41 1575.31 o
0 5 11 56771.32 58770.29 1392.80 o
2 5 11 61494.38 60933.75 1370.02 o
4 5 11 54960.52 54949.10 1413.90 o
-5 6 11 48872.66 47421.18 1819.66 o
-3 6 11 27014.04 27310.35 1338.90 o
-1 6 11 2185.56 3374.91 799.93 o
1 6 11 2881.71 3390.76 586.88 o
3 6 11 23085.54 21759.84 1082.22 o
5 6 11 54060.93 53903.18 1373.36 o
-6 7 11 45245.70 45772.48 2020.62 o
-4 7 11 92866.74 90438.35 2655.97 o
-2 7 11 84985.71 88258.15 2697.46 o
0 7 11 73175.76 74494.45 2398.58 o
2 7 11 91107.88 92410.16 2330.62 o
4 7 11 83800.61 82018.00 1933.10 o
6 7 11 43522.23 40643.17 1303.01 o
-7 8 11 27213.04 26438.11 2457.33 o
-5 8 11 57860.93 57020.83 2378.44 o
-3 8 11 80511.86 82095.67 2565.39 o
-1 8 11 104150.98 99295.84 2864.47 o
1 8 11 89731.94 88564.82 3245.50 o
3 8 11 76660.77 77169.62 2349.52 o
5 8 11 56248.90 54948.11 1625.23 o
7 8 11 24016.18 23502.07 971.87 o
-4 9 11 11194.93 13171.64 3703.43 o
-2 9 11 75599.74 77660.09 3683.70 o
0 9 11 20710.45 24806.84 2002.52 o
2 9 11 76698.63 75961.76 2529.92 o
4 9 11 16856.68 16840.66 801.11 o
6 9 11 63437.23 65358.26 2025.73 o
8 9 11 18147.72 17572.92 899.57 o
-3 10 11 14446.29 16144.41 1922.33 o
-1 10 11 6680.90 6465.36 1484.62 o
1 10 11 5996.20 7188.65 1421.39 o
3 10 11 13529.40 13588.43 959.06 o
5 10 11 34185.72 32811.84 1339.55 o
7 10 11 41657.94 40248.43 1592.62 o
9 10 11 40472.48 40274.52 1392.40 o
-2 11 11 128942.02 141863.05 7842.55 o
2 11 11 134225.17 126927.34 7476.57 o
6 11 11 61640.50 59773.27 2797.03 o
10 11 11 43534.63 46074.20 2217.45 o
0 0 12 946.44 2854.14 1004.89 o
-2 2 12 303359.97 306205.59 6845.02 o
0 2 12 12666.48 13360.22 674.69 o
2 2 12 305078.78 312275.41 6854.11 o
-1 3 12 31645.94 32403.86 1017.83 o
1 3 12 36721.76 37262.80 1036.91 o
-4 4 12 47686.56 48663.76 2642.51 o
-2 4 12 3289.34 4021.04 539.42 o
0 4 12 13.01 -212.72 400.80 o
2 4 12 3274.81 3663.32 499.01 o
4 4 12 41366.50 42280.37 1885.41 o
-3 5 12 53565.74 53132.13 1618.18 o
-1 5 12 27616.97 28243.34 959.03 o
1 5 12 33540.64 34037.15 1121.75 o
3 5 12 54419.77 54112.36 1369.25 o
-6 6 12 95403.39 94106.20 3658.80 o
-4 6 12 1462.62 1392.78 570.62 o
-2 6 12 162437.33 168646.20 4221.89 o
0 6 12 647.67 1200.22 578.04 o
2 6 12 164686.95 160427.94 3689.87 o
4 6 12 1462.45 583.62 523.93 o
6 6 12 86743.23 84404.73 3088.51 o
-5 7 12 69630.95 69535.47 2769.08 o
-3 7 12 33305.27 32979.95 1552.06 o
-1 7 12 68738.33 70678.55 2367.40 o
1 7 12 70890.69 69896.54 2035.98 o
3 7 12 25553.39 26354.14 1242.46 o
5 7 12 77074.82 76511.34 2010.08 o
-6 8 12 7000.87 7633.42 1655.65 o
-4 8 12 73011.77 74910.84 2774.13 o
-2 8 12 571.47 542.30 1211.56 o
0 8 12 1257.27 1261.76 1156.63 o
2 8 12 563.37 270.96 655.37 o
4 8 12 66307.04 64783.06 1826.01 o
6 8 12 6933.77 6492.14 771.94 o
8 8 12 173172.59 166351.62 4802.83 o
-5 9 12 22730.71 25218.16 3084.74 o
-3 9 12 64135.39 67534.95 3629.22 o
-1 9 12 60399.62 59870.59 3159.49 o
1 9 12 56574.70 54439.50 2146.80 o
3 9 12 73292.17 71763.05 2297.96 o
5 9 12 19470.42 19126.94 1358.32 o
7 9 12 79685.42 79591.43 2631.21 o
-4 10 12 9400.89 7250.00 2439.91 o
-2 10 12 21747.85 23152.66 2138.08 o
0 10 12 3624.01 3702.59 1348.36 o
2 10 12 22035.93 22377.46 1230.10 o
4 10 12 9545.40 8974.93 745.76 o
6 10 12 6720.95 6651.69 788.16 o
8 10 12 5313.63 5172.71 843.14 o
10 10 12 653.73 1220.98 898.28 o
-3 11 12 60529.40 63912.94 5306.79 o
-1 11 12 101296.17 101969.20 4520.87 o
1 11 12 88934.78 86535.38 4268.97 o
3 11 12 59717.41 57635.88 2258.25 o
5 11 12 39055.02 37220.48 1489.21 o
7 11 12 19417.39 18292.20 1162.26 o
9 11 12 11370.23 11738.61 1099.47 o
0 12 12 66.71 1272.24 1899.64 o
4 12 12 65380.34 61959.05 2766.23 o
8 12 12 160612.42 158468.25 5855.96 o
12 12 12 169813.84 168039.73 9114.79 o
0 1 13 178926.50 179775.83 3085.36 o
-1 2 13 21502.24 21748.54 852.06 o
1 2 13 23893.94 25262.20 893.10 o
-2 3 13 1793.15 2279.53 546.01 o
0 3 13 119044.57 120767.88 2273.11 o
2 3 13 1152.04 1353.30 535.97 o
-3 4 13 138785.78 136984.44 3360.92 o
-1 4 13 165375.72 167893.81 3133.45 o
1 4 13 168385.86 169435.86 3131.91 o
3 4 13 122910.69 121814.94 2698.67 o
-4 5 13 99528.29 102072.73 2935.95 o
-2 5 13 45244.96 46464.69 1430.18 o
0 5 13 75446.09 73737.06 1607.13 o
2 5 13 50417.14 50979.24 1351.47 o
4 5 13 113730.69 115056.30 2729.14 o
-5 6 13 39372.88 40268.41 1667.25 o
-3 6 13 5602.79 5949.42 709.45 o
-1 6 13 10383.01 10621.36 646.88 o
1 6 13 10748.65 9706.39 902.88 o
3 6 13 3905.98 4345.28 622.13 o
5 6 13 44237.27 46703.05 1675.67 o
-6 7 13 56706.67 56137.89 2498.37 o
-4 7 13 11086.85 10987.80 1332.86 o
-2 7 13 13679.52 15347.09 1465.61 o
0 7 13 1551.27 679.08 653.20 o
2 7 13 16024.73 18186.65 1068.98 o
4 7 13 5982.57 5035.61 700.54 o
6 7 13 56054.12 52726.00 2264.21 o
-7 8 13 13781.77 17671.88 2021.64 o
-5 8 13 57822.61 58662.29 4688.10 o
-3 8 13 67588.81 70792.10 4914.67 o
-1 8 13 76473.35 79075.31 3709.09 o
1 8 13 68293.66 68970.04 2310.87 o
3 8 13 59729.96 57929.98 2116.53 o
5 8 13 49617.12 47661.29 1699.61 o
7 8 13 10468.28 10226.30 1177.05 o
-4 9 13 20078.51 17393.04 3084.74 o
-2 9 13 62337.20 63321.39 3474.14 o
0 9 13 12696.37 13775.00 2101.55 o
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