#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:27:59 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181240 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/18/2231869.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_2231869_Fobs
loop_
_publ_author_name
'Yagoubi, Said'
'El Ammari, Lahcen'
'Assani, Abderrazzak'
'Saadi, Mohamed'
_publ_section_title
;
 Thorium divanadate dihydrate, Th(V~2~O~7~)(H~2~O)~2~
;
_journal_coeditor_code           FJ2454
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i60
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.849
_cell_angle_beta                 74.831
_cell_angle_gamma                85.934
_cell_length_a                   7.0432
_cell_length_b                   7.3702
_cell_length_c                   7.7204
_exptl_crystal_F_000             424.00
_reflns_d_resolution_high        0.6045
_cod_data_source_file            fj2454Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' EL_SA292 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            198.84
_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'
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
1 0 0 9398.90 9168.52 226.91 o
2 0 0 12611.32 12410.95 307.73 o
3 0 0 20726.21 21449.62 302.43 o
4 0 0 6369.60 6421.28 91.31 o
5 0 0 2482.50 2434.36 36.32 o
6 0 0 3332.77 3295.63 52.54 o
7 0 0 7725.65 7694.60 133.39 o
8 0 0 1690.00 1727.36 41.49 o
9 0 0 25.26 25.46 10.53 o
10 0 0 1309.74 1426.85 54.63 o
11 0 0 2677.16 2851.33 96.98 o
-11 1 0 567.39 617.01 48.00 o
-10 1 0 822.25 863.57 39.23 o
-9 1 0 4211.58 4344.33 113.78 o
-8 1 0 2243.93 2317.10 52.78 o
-7 1 0 14.02 22.58 4.26 o
-6 1 0 4777.14 4744.10 73.55 o
-5 1 0 14149.35 14266.74 199.61 o
-4 1 0 709.17 718.72 11.75 o
-3 1 0 8884.57 8977.81 116.04 o
-2 1 0 8369.57 8456.15 109.86 o
-1 1 0 1281.60 1251.13 23.43 o
0 1 0 874.73 793.48 16.27 o
1 1 0 2686.01 2554.79 39.57 o
2 1 0 19386.04 18779.46 351.78 o
3 1 0 5415.00 4969.31 82.94 o
4 1 0 3574.13 3399.39 56.06 o
5 1 0 9858.71 9782.33 139.10 o
6 1 0 3948.17 3963.29 58.81 o
7 1 0 47.62 49.62 4.40 o
8 1 0 3354.62 3339.83 89.36 o
9 1 0 4541.44 4604.44 156.72 o
10 1 0 192.11 210.68 35.99 o
11 1 0 529.48 561.56 53.09 o
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-10 2 0 1863.13 1862.41 64.71 o
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1 2 0 132.16 164.79 5.64 o
2 2 0 2383.52 2260.99 31.97 o
3 2 0 11443.53 11642.41 162.40 o
4 2 0 4675.78 4614.02 65.24 o
5 2 0 298.28 298.02 7.39 o
6 2 0 4094.65 4050.40 65.32 o
7 2 0 4188.78 4212.97 88.23 o
8 2 0 1549.22 1520.28 53.98 o
9 2 0 8.78 8.73 10.34 o
10 2 0 2516.91 2788.05 94.89 o
11 2 0 3422.41 3677.33 122.89 o
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-7 3 0 133.76 142.90 6.00 o
-6 3 0 8124.03 8164.42 127.80 o
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-4 3 0 23.25 35.11 4.03 o
-3 3 0 10087.63 10341.84 147.88 o
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-1 3 0 2887.99 2858.85 40.08 o
0 3 0 336.77 326.04 6.97 o
1 3 0 10328.30 10342.71 127.81 o
2 3 0 27870.67 27290.25 481.67 o
3 3 0 3452.06 3496.15 49.07 o
4 3 0 5749.83 5800.54 83.38 o
5 3 0 10042.69 9944.26 158.68 o
6 3 0 4700.07 4563.87 100.17 o
7 3 0 0.87 6.19 5.76 o
8 3 0 4272.05 4138.88 188.28 o
9 3 0 3341.40 3322.82 108.13 o
10 3 0 73.96 86.85 29.11 o
-10 4 0 1916.57 1830.74 90.39 o
-9 4 0 2.74 -1.77 8.35 o
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-5 4 0 25.72 36.53 3.35 o
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0 4 0 14076.12 15013.22 197.31 o
1 4 0 79.91 112.58 6.28 o
2 4 0 270.49 261.28 7.07 o
3 4 0 7162.17 7145.63 114.00 o
4 4 0 5748.77 5608.96 95.61 o
5 4 0 386.12 415.48 13.90 o
6 4 0 3132.55 3044.64 77.92 o
7 4 0 3345.31 3161.40 100.66 o
8 4 0 2334.04 2111.59 74.17 o
9 4 0 10.48 13.10 13.37 o
10 4 0 3426.54 3615.27 121.64 o
-10 5 0 826.84 860.06 53.72 o
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-4 5 0 177.19 201.36 6.66 o
-3 5 0 2308.30 2349.96 39.23 o
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0 5 0 506.39 575.62 13.75 o
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2 5 0 10468.96 10400.62 159.59 o
3 5 0 101.14 109.32 6.42 o
4 5 0 2712.81 2683.73 71.63 o
5 5 0 6411.86 6368.19 132.65 o
6 5 0 3430.68 3405.83 88.20 o
7 5 0 739.10 758.45 29.87 o
8 5 0 4354.81 4312.02 137.29 o
9 5 0 1070.08 1073.55 70.04 o
10 5 0 18.37 37.10 38.68 o
-9 6 0 240.93 234.27 27.73 o
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-5 6 0 323.10 341.54 11.17 o
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-3 6 0 7370.71 7436.47 112.20 o
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0 6 0 6322.57 6886.53 93.82 o
1 6 0 923.29 949.72 18.40 o
2 6 0 552.61 597.65 20.67 o
3 6 0 8731.44 8457.38 159.17 o
4 6 0 3881.36 3665.77 81.36 o
5 6 0 184.97 200.50 13.27 o
6 6 0 1573.82 1553.16 48.78 o
7 6 0 4123.13 3995.26 105.37 o
8 6 0 3276.00 3167.12 108.39 o
9 6 0 268.84 296.69 27.31 o
-8 7 0 1675.31 1637.50 86.02 o
-7 7 0 954.71 953.03 36.78 o
-6 7 0 6749.61 6760.06 140.10 o
-5 7 0 2140.17 2143.04 41.92 o
-4 7 0 19.50 34.14 5.46 o
-3 7 0 1105.85 1138.00 25.31 o
-2 7 0 6339.62 6484.61 97.61 o
-1 7 0 5508.46 5790.33 93.86 o
0 7 0 385.46 402.66 13.66 o
1 7 0 10277.34 10600.64 206.23 o
2 7 0 6012.78 5955.04 128.85 o
3 7 0 273.86 294.16 13.79 o
4 7 0 3206.02 3159.01 72.98 o
5 7 0 7121.58 7064.24 149.56 o
6 7 0 1522.62 1421.84 48.14 o
7 7 0 1012.41 1023.13 40.43 o
8 7 0 2032.93 2022.08 78.45 o
9 7 0 888.20 969.49 50.14 o
-8 8 0 784.71 745.14 54.80 o
-7 8 0 2548.21 2582.10 106.57 o
-6 8 0 1751.19 1646.04 49.02 o
-5 8 0 754.44 687.59 27.16 o
-4 8 0 7749.14 7676.73 266.22 o
-3 8 0 3381.31 3300.35 71.70 o
-2 8 0 466.21 477.18 17.34 o
-1 8 0 3043.20 3201.65 60.58 o
0 8 0 3454.44 3485.94 77.53 o
1 8 0 903.48 960.45 31.59 o
2 8 0 313.11 331.77 16.77 o
3 8 0 4417.15 4204.83 96.47 o
4 8 0 2008.29 1929.93 70.94 o
5 8 0 102.32 114.64 15.20 o
6 8 0 1215.91 1183.98 55.73 o
7 8 0 3416.87 3326.31 116.87 o
8 8 0 1382.14 1547.05 97.24 o
-7 9 0 1544.56 1427.99 85.17 o
-6 9 0 2938.37 2844.62 139.52 o
-5 9 0 552.10 522.98 30.81 o
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-3 9 0 879.53 884.10 33.66 o
-2 9 0 6781.99 6865.29 173.38 o
-1 9 0 2542.26 2528.62 71.82 o
0 9 0 1371.30 1483.15 72.23 o
1 9 0 6153.61 6046.41 155.70 o
2 9 0 3475.33 3546.28 110.45 o
3 9 0 225.65 252.07 16.44 o
4 9 0 3123.96 3089.62 84.85 o
5 9 0 5531.93 5385.48 169.42 o
6 9 0 497.35 486.86 35.81 o
7 9 0 758.33 733.73 45.86 o
-5 10 0 1948.25 2041.30 71.62 o
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-3 10 0 763.11 774.44 32.37 o
-2 10 0 429.11 419.83 22.99 o
-1 10 0 2038.97 2038.02 61.61 o
0 10 0 3358.70 3250.12 90.62 o
1 10 0 370.71 358.69 21.83 o
2 10 0 1276.35 1233.88 58.15 o
3 10 0 3023.00 2762.83 95.06 o
4 10 0 1228.06 1142.78 98.55 o
5 10 0 142.91 149.14 23.24 o
6 10 0 1756.44 1765.90 102.83 o
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-1 11 0 1058.06 999.50 38.01 o
0 11 0 293.67 306.53 24.41 o
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2 11 0 3098.50 2853.63 134.39 o
3 11 0 49.65 66.89 17.40 o
4 11 0 2477.90 2391.69 122.02 o
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-2 -11 1 124.12 128.23 19.60 o
-1 -11 1 2718.98 2597.60 86.14 o
0 -11 1 3970.68 3802.64 104.31 o
1 -11 1 19.55 44.51 14.78 o
2 -11 1 3635.24 3503.18 119.57 o
3 -11 1 3100.31 2774.33 133.21 o
-5 -10 1 2364.07 2422.71 129.14 o
-4 -10 1 172.24 212.18 24.33 o
-3 -10 1 5285.36 4710.35 210.63 o
-2 -10 1 2616.96 2488.68 74.61 o
-1 -10 1 40.39 59.51 10.32 o
0 -10 1 726.70 712.41 30.04 o
1 -10 1 2256.31 2200.95 65.06 o
2 -10 1 2383.38 2262.96 92.54 o
3 -10 1 6.06 24.91 10.72 o
4 -10 1 3005.73 3120.68 99.68 o
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0 -9 1 5168.91 5232.23 113.19 o
1 -9 1 569.42 585.40 21.41 o
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3 -9 1 2769.99 2713.36 74.15 o
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3 -8 1 377.87 402.02 13.88 o
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0 -7 1 3363.02 3438.26 64.47 o
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-3 -6 1 6547.41 6269.65 120.39 o
-2 -6 1 3207.26 3018.19 58.43 o
-1 -6 1 286.81 292.50 9.61 o
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1 -6 1 10639.92 11130.27 146.67 o
2 -6 1 3694.76 3652.86 54.12 o
3 -6 1 261.58 279.37 7.97 o
4 -6 1 6049.13 6149.91 97.36 o
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8 -6 1 4132.17 4031.63 120.10 o
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-3 -5 1 2411.46 2412.35 49.29 o
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0 -5 1 1365.82 1482.96 26.43 o
1 -5 1 1357.71 1374.04 21.34 o
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3 -5 1 10393.50 10701.76 183.06 o
4 -5 1 35.41 51.64 4.29 o
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6 -5 1 3803.33 3797.92 68.21 o
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8 -5 1 349.07 380.21 16.08 o
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0 -3 1 12480.72 13109.53 167.76 o
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3 -3 1 12789.97 13279.97 187.70 o
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9 -1 1 8433.27 8569.98 199.99 o
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-2 0 1 16066.50 15905.43 203.68 o
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1 0 1 19473.58 21162.24 492.04 o
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