#------------------------------------------------------------------------------
#$Date: 2016-04-02 20:34:23 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180770 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/91/2009101.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_2009101_Fobs
loop_
_publ_author_name
'Friese, K.'
'Madariaga, G.'
'Breczewski, T.'
_publ_section_title
;
 Tl~2~MoO~4~ at 350K
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1753
_journal_page_last               1755
_journal_volume                  55
_journal_year                    1999
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   6.2660
_cell_length_b                   6.2660
_cell_length_c                   8.1030
_exptl_crystal_F_000             472.00
_reflns_d_resolution_high        0.8108
_cod_data_source_file            br1242sup2.hkl
_cod_data_source_block           tmo350
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   Tl2MoO4 350K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            307.94
_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'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, 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
0 1 0 949.60 824.82 42.31 o
-1 2 0 94826.93 86762.53 6776.43 o
0 2 0 231.96 205.67 29.63 o
-1 3 0 909.30 858.14 20.77 o
0 3 0 45307.73 43106.36 911.37 o
-2 4 0 35746.54 36962.32 1057.85 o
-1 4 0 283.76 286.66 21.39 o
0 4 0 125.38 112.12 26.51 o
-2 5 0 106.14 125.18 18.92 o
-1 5 0 12461.35 13552.84 369.31 o
0 5 0 129.32 143.40 31.02 o
-3 6 0 6955.86 7339.33 245.93 o
-2 6 0 65.55 63.65 20.11 o
-1 6 0 66.00 52.86 23.53 o
0 6 0 3170.54 3276.07 607.89 o
-3 7 0 37.60 51.46 25.10 o
-2 7 0 2397.75 2681.15 115.20 o
-1 7 0 12.40 -5.04 26.21 o
0 0 1 932.77 1058.09 178.86 o
-1 1 1 802.75 788.28 79.85 o
0 1 1 2721.86 2967.90 443.83 o
-2 2 1 4788.80 4890.00 216.70 o
-1 2 1 665.22 618.65 32.62 o
0 2 1 2917.73 2894.13 117.38 o
-3 3 1 855.73 733.46 27.82 o
-2 3 1 832.06 785.80 21.73 o
-1 3 1 1117.91 1158.28 31.15 o
0 3 1 296.35 269.88 22.12 o
-4 4 1 463.67 497.62 28.29 o
-3 4 1 246.50 237.00 21.57 o
-2 4 1 484.00 460.45 21.20 o
-1 4 1 310.19 304.46 19.66 o
0 4 1 259.26 265.04 22.83 o
-5 5 1 16.10 19.12 30.76 o
-4 5 1 190.75 298.42 28.47 o
-3 5 1 192.43 192.49 18.36 o
-2 5 1 56.15 42.47 18.13 o
-1 5 1 340.12 406.63 25.83 o
0 5 1 186.45 205.23 24.31 o
-6 6 1 97.67 92.49 32.68 o
-5 6 1 91.23 109.53 23.31 o
-4 6 1 10.89 8.38 20.46 o
-3 6 1 169.39 178.53 19.57 o
-2 6 1 144.48 189.30 18.74 o
-1 6 1 18.53 39.91 20.99 o
0 6 1 69.82 44.71 30.94 o
-6 7 1 45.35 28.37 31.48 o
-5 7 1 81.56 119.41 23.99 o
-4 7 1 58.52 69.98 21.47 o
-3 7 1 29.66 35.90 23.34 o
-2 7 1 53.49 99.34 22.13 o
-1 7 1 25.90 21.00 23.68 o
0 0 2 268.33 454.22 155.58 o
-1 1 2 93989.34 105722.17 5353.79 o
0 1 2 3311.43 3265.51 129.82 o
-2 2 2 2808.72 2995.99 281.70 o
-1 2 2 657.80 670.11 31.36 o
0 2 2 71299.34 64539.80 3460.88 o
-3 3 2 194.08 170.00 30.13 o
-2 3 2 43006.02 42058.64 1592.32 o
-1 3 2 1086.56 1051.97 38.80 o
0 3 2 104.06 107.97 28.37 o
-4 4 2 18146.28 18926.10 609.53 o
-3 4 2 848.33 894.99 25.44 o
-2 4 2 20.64 24.61 21.62 o
-1 4 2 23490.24 23002.97 719.25 o
0 4 2 787.43 821.25 31.31 o
-5 5 2 211.11 247.83 35.18 o
-4 5 2 21.60 9.50 20.13 o
-3 5 2 13146.61 13713.20 343.98 o
-2 5 2 588.57 618.32 22.23 o
-1 5 2 32.61 17.99 19.68 o
0 5 2 6921.44 6953.39 341.16 o
-6 6 2 4.44 2.14 37.62 o
-5 6 2 4069.61 4220.20 229.70 o
-4 6 2 205.49 209.89 26.60 o
-3 6 2 13.45 11.21 19.24 o
-2 6 2 5462.74 5814.63 400.23 o
-1 6 2 122.48 103.12 19.89 o
0 6 2 4.44 15.68 25.23 o
-6 7 2 61.75 -82.13 82.13 o
-5 7 2 3.84 -11.83 22.52 o
-4 7 2 2390.01 2466.66 122.24 o
-3 7 2 74.64 48.66 21.92 o
-2 7 2 3.66 12.41 21.75 o
0 0 3 7248.52 9788.35 155.80 o
-1 1 3 2851.05 3145.85 132.21 o
0 1 3 436.44 425.61 39.60 o
-2 2 3 1492.35 1388.48 64.51 o
-1 2 3 3111.64 3148.80 103.11 o
0 2 3 677.96 605.91 44.78 o
-3 3 3 1179.33 1183.32 56.17 o
-2 3 3 984.54 1007.28 46.06 o
-1 3 3 310.68 306.96 24.35 o
0 3 3 712.43 766.61 40.50 o
-4 4 3 407.16 371.66 29.04 o
-3 4 3 185.33 173.90 18.92 o
-2 4 3 555.12 530.15 21.78 o
-1 4 3 809.68 767.48 26.81 o
0 4 3 269.18 276.84 28.28 o
-5 5 3 77.20 49.96 32.25 o
-4 5 3 39.11 56.91 20.65 o
-3 5 3 483.14 479.04 24.58 o
-2 5 3 127.49 132.47 20.26 o
-1 5 3 80.73 73.27 17.10 o
0 5 3 194.22 214.32 23.83 o
-6 6 3 13.49 36.99 36.50 o
-5 6 3 155.83 109.36 25.92 o
-4 6 3 69.97 87.07 25.81 o
-3 6 3 10.35 31.58 21.64 o
-2 6 3 162.88 137.76 21.69 o
-1 6 3 42.31 42.39 18.78 o
0 6 3 24.19 55.55 24.18 o
-5 7 3 16.34 17.05 26.67 o
-4 7 3 92.94 75.38 21.32 o
-3 7 3 24.93 6.88 21.89 o
-2 7 3 29.77 41.73 19.89 o
0 0 4 8758.34 9213.81 125.49 o
-1 1 4 131.87 1745.09 570.60 o
0 1 4 54059.10 54534.62 2243.95 o
-2 2 4 38115.45 39578.31 2531.49 o
-1 2 4 3300.97 3265.30 120.16 o
0 2 4 406.55 405.48 33.51 o
-3 3 4 1672.82 1692.81 73.65 o
-2 3 4 52.24 69.82 21.98 o
-1 3 4 29127.43 28061.86 774.90 o
0 3 4 2090.32 2067.59 108.48 o
-4 4 4 73.40 54.07 30.14 o
-3 4 4 14822.23 13583.30 423.33 o
-2 4 4 1774.35 1694.86 47.48 o
-1 4 4 46.73 52.55 20.34 o
0 4 4 10577.09 11095.37 240.02 o
-5 5 4 4835.72 4535.74 448.94 o
-4 5 4 605.88 596.49 29.34 o
-3 5 4 39.77 55.91 19.86 o
-2 5 4 7844.37 7659.50 218.75 o
-1 5 4 517.26 530.15 27.17 o
0 5 4 16.55 35.67 25.17 o
-6 6 4 165.13 126.37 35.35 o
-5 6 4 15.01 -3.38 25.20 o
-4 6 4 3540.59 3231.11 186.53 o
-3 6 4 321.78 324.97 22.04 o
-2 6 4 21.08 8.92 18.58 o
-1 6 4 2857.60 2801.91 251.17 o
0 6 4 178.15 122.24 27.31 o
-4 7 4 10.76 31.84 39.18 o
-3 7 4 1676.29 1686.34 149.35 o
0 0 5 483.43 360.12 82.44 o
-1 1 5 2343.86 2341.65 168.07 o
0 1 5 1014.70 1076.54 39.86 o
-2 2 5 353.44 395.41 34.29 o
-1 2 5 200.55 230.89 21.28 o
0 2 5 907.11 882.34 31.79 o
-3 3 5 166.99 179.00 30.36 o
-2 3 5 670.76 656.71 26.70 o
-1 3 5 725.19 644.22 22.06 o
0 3 5 101.63 101.64 25.12 o
-4 4 5 111.17 116.01 25.65 o
-3 4 5 457.34 413.20 20.03 o
-2 4 5 127.17 134.36 19.58 o
-1 4 5 311.49 293.90 19.90 o
0 4 5 266.57 272.12 29.46 o
-5 5 5 204.48 189.25 28.53 o
-4 5 5 40.70 32.77 19.84 o
-3 5 5 91.58 92.09 21.65 o
-2 5 5 276.78 272.40 21.31 o
-1 5 5 61.62 88.68 18.97 o
0 5 5 9.64 19.38 25.42 o
-5 6 5 4.43 16.99 19.72 o
-4 6 5 149.20 101.25 25.77 o
-3 6 5 29.02 32.13 21.63 o
-2 6 5 6.29 38.31 19.71 o
-1 6 5 141.77 118.50 19.20 o
0 0 6 24853.20 20218.64 2198.63 o
-1 1 6 2628.99 2614.79 162.72 o
0 1 6 140.41 148.27 29.17 o
-2 2 6 142.71 149.01 24.90 o
-1 2 6 20165.16 19344.49 670.82 o
0 2 6 2613.51 2777.07 57.35 o
-3 3 6 10950.59 10622.50 515.83 o
-2 3 6 1592.75 1634.09 73.14 o
-1 3 6 154.19 166.99 20.11 o
0 3 6 10256.99 11008.05 454.19 o
-4 4 6 839.42 812.56 71.73 o
-3 4 6 81.16 61.33 17.77 o
-2 4 6 7444.34 6960.50 210.50 o
-1 4 6 958.71 989.08 33.98 o
0 4 6 52.45 25.01 24.35 o
-5 5 6 48.08 49.30 24.76 o
-4 5 6 3302.81 3003.51 196.88 o
-3 5 6 597.82 558.91 28.06 o
-2 5 6 40.92 40.19 17.91 o
-1 5 6 3482.98 3552.18 158.26 o
0 5 6 357.18 362.48 31.57 o
-4 6 6 32.87 33.24 25.08 o
-3 6 6 1980.19 1850.64 117.03 o
-2 6 6 294.83 285.41 31.19 o
0 0 7 281.25 258.14 51.59 o
-1 1 7 323.78 288.05 30.08 o
0 1 7 1463.42 1415.04 56.75 o
-2 2 7 700.31 763.88 65.80 o
-1 2 7 384.44 400.97 20.39 o
0 2 7 154.48 182.85 26.08 o
-3 3 7 276.60 326.03 28.28 o
-2 3 7 121.17 119.40 16.41 o
-1 3 7 616.70 654.34 29.81 o
0 3 7 309.70 375.08 30.61 o
-4 4 7 43.08 26.98 28.25 o
-3 4 7 214.80 198.79 17.71 o
-2 4 7 226.47 255.40 16.81 o
-1 4 7 84.76 70.96 16.67 o
0 4 7 93.39 76.21 30.33 o
-4 5 7 163.39 121.64 18.43 o
-3 5 7 42.09 36.67 17.84 o
-2 5 7 61.13 45.04 16.97 o
-1 5 7 144.84 124.50 20.73 o
0 0 8 117.66 111.38 50.97 o
-1 1 8 7908.57 7557.72 637.44 o
0 1 8 1998.88 1865.09 73.40 o
-2 2 8 1584.91 1569.98 117.07 o
-1 2 8 161.59 138.99 18.72 o
0 2 8 5505.70 5714.04 182.88 o
-3 3 8 117.17 132.84 26.46 o
-2 3 8 4395.48 4369.12 230.72 o
-1 3 8 1224.79 1316.62 55.36 o
0 3 8 81.85 69.13 26.52 o
-3 4 8 708.49 685.11 29.47 o
-2 4 8 64.72 71.10 19.03 o
-1 4 8 2546.28 2802.56 125.30 o
0 0 9 654.13 610.06 123.14 o
-1 1 9 226.61 244.28 33.82 o
0 1 9 73.34 83.15 23.42 o
-2 2 9 40.94 44.09 25.65 o
-1 2 9 492.55 556.61 35.47 o
0 2 9 217.87 231.60 22.35 o
-2 3 9 184.71 190.80 17.32 o
-1 3 9 47.63 52.06 17.69 o