#------------------------------------------------------------------------------
#$Date: 2021-08-11 05:14:50 +0300 (Wed, 11 Aug 2021) $
#$Revision: 268022 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/38/2243892.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_2243892
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   8.4258
_cell_length_b                   8.4258
_cell_length_c                   30.1966
_exptl_crystal_F_000             1152.00
_reflns_d_resolution_high        0.7781
_cod_data_source_file            ru2076Na3_Li_2SO4_6H2O-260Ksup4.hkl
_cod_data_source_block           Na3_Li_2SO4_6H2O-260K
_shelx_title
' F:\horsts\naliso4-new\naliso4-new_a.res in R3c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            319.09
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+5/6'
'-x+y+2/3, y+1/3, z+5/6'
'x+2/3, x-y+1/3, z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'
'x+1/3, x-y+2/3, z+7/6'
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 1 -38 385.26 388.38 61.71 o
-1 3 -37 1558.90 1482.66 27.40 o
0 0 -36 1744.00 1809.66 890.59 o
-1 2 -36 2993.99 3031.55 44.75 o
-3 3 -36 4531.99 4343.32 181.80 o
0 3 -36 5051.17 4946.21 276.72 o
-2 4 -36 4523.07 4522.78 30.00 o
-2 3 -35 753.36 719.74 46.29 o
-1 4 -35 437.45 487.50 31.70 o
0 1 -34 37.02 -1.69 23.28 o
-2 2 -34 913.52 866.59 28.14 o
-1 3 -34 542.02 552.86 45.82 o
-3 4 -34 207.68 222.69 13.90 o
0 4 -34 748.13 758.32 22.18 o
-2 5 -34 80.70 73.22 18.05 o
-1 2 -33 2168.93 2242.70 39.25 o
-2 4 -33 1445.34 1392.45 21.91 o
-4 5 -33 151.47 185.01 15.48 o
-1 5 -33 525.48 505.56 17.84 o
-1 1 -32 501.95 497.32 19.30 o
0 2 -32 2300.22 2344.17 55.11 o
-2 3 -32 5187.82 5342.31 53.70 o
-4 4 -32 2106.79 2103.03 17.86 o
-1 4 -32 2885.83 2995.55 66.62 o
-3 5 -32 1552.97 1581.20 11.63 o
0 5 -32 81.09 63.27 14.31 o
-2 6 -32 1739.88 1559.81 25.35 o
-1 3 -31 641.12 632.77 17.20 o
-3 4 -31 1037.46 1011.15 27.64 o
-2 5 -31 506.15 506.37 9.96 o
-4 6 -31 210.92 234.70 14.39 o
-1 6 -31 474.21 450.72 23.62 o
0 0 -30 1330.33 1350.77 27.84 o
-1 2 -30 462.46 469.96 8.30 o
-3 3 -30 223.99 247.80 13.32 o
0 3 -30 631.71 639.10 18.04 o
-2 4 -30 329.41 331.96 13.83 o
-4 5 -30 711.64 705.60 15.43 o
-1 5 -30 410.96 417.59 12.14 o
-3 6 -30 525.60 519.96 11.93 o
-2 3 -29 1324.72 1352.28 10.63 o
-1 4 -29 1361.08 1370.06 20.71 o
-3 5 -29 37.29 39.72 15.95 o
-5 6 -29 839.38 837.05 39.28 o
-2 6 -29 1299.99 1241.96 20.25 o
-4 7 -29 34.34 32.84 19.61 o
0 1 -28 2343.75 2538.58 72.79 o
-2 2 -28 4658.39 4560.33 76.09 o
-1 3 -28 5482.17 5463.96 53.85 o
-3 4 -28 9688.37 9738.75 98.14 o
0 4 -28 11293.59 11821.46 95.56 o
-5 5 -28 2170.45 2192.81 46.71 o
-2 5 -28 2706.50 2702.81 28.80 o
-4 6 -28 1856.93 1876.30 17.80 o
-1 6 -28 1868.84 1908.89 92.42 o
-3 7 -28 1846.44 1804.10 63.10 o
-1 2 -27 1509.60 1500.22 10.92 o
-2 4 -27 706.96 745.87 19.00 o
-4 5 -27 1.70 29.20 13.82 o
-1 5 -27 98.79 121.56 11.27 o
-3 6 -27 168.08 180.08 19.61 o
-5 7 -27 408.40 374.82 23.74 o
-2 7 -27 1803.10 1753.69 27.68 o
-1 1 -26 782.00 833.59 29.84 o
0 2 -26 244.87 263.09 18.54 o
-2 3 -26 2635.82 2729.80 25.68 o
-4 4 -26 1553.51 1586.54 92.97 o
-1 4 -26 1954.13 1916.72 15.22 o
-3 5 -26 63.63 78.65 10.46 o
0 5 -26 1097.85 1102.50 15.01 o
-5 6 -26 117.62 130.22 15.60 o
-2 6 -26 991.33 1028.57 38.77 o
-4 7 -26 800.91 825.64 44.78 o
-1 7 -26 246.19 205.34 13.67 o
-1 3 -25 507.18 503.30 10.44 o
-3 4 -25 3663.62 3700.66 36.29 o
-2 5 -25 766.08 771.76 10.72 o
-4 6 -25 761.41 804.79 28.25 o
-1 6 -25 279.29 319.47 20.55 o
-6 7 -25 320.42 289.86 26.83 o
-3 7 -25 216.33 216.95 17.91 o
-5 8 -25 2730.16 2566.30 50.73 o
0 0 -24 9748.00 10183.35 53.43 o
-1 2 -24 12583.65 12839.54 62.21 o
-3 3 -24 7144.72 7339.15 86.88 o
0 3 -24 12319.36 12628.35 196.82 o
-2 4 -24 15601.68 15972.79 105.83 o
-4 5 -24 4938.96 4882.78 56.07 o
-1 5 -24 4575.12 4701.56 43.93 o
-6 6 -24 4658.96 4329.60 294.34 o
-3 6 -24 7423.71 7435.57 134.78 o
0 6 -24 5394.89 5229.25 98.12 o
-5 7 -24 5009.84 4867.62 71.67 o
-2 7 -24 2615.53 2701.17 31.43 o
-4 8 -24 1575.04 1459.49 43.60 o
-2 3 -23 1081.58 1057.41 14.47 o
-1 4 -23 167.80 182.88 13.59 o
-3 5 -23 3625.75 3682.96 26.69 o
-5 6 -23 22.49 91.80 25.78 o
-2 6 -23 143.03 177.69 10.79 o
-4 7 -23 429.39 454.59 32.31 o
-1 7 -23 878.36 922.74 35.30 o
-6 8 -23 55.63 53.55 16.79 o
-3 8 -23 290.23 298.84 33.92 o
0 1 -22 1789.68 1821.77 49.02 o
-2 2 -22 1787.69 1826.74 23.51 o
-1 3 -22 2965.66 2965.76 23.51 o
-3 4 -22 1604.55 1601.04 27.19 o
0 4 -22 5294.43 5346.39 43.37 o
-5 5 -22 2437.76 2333.70 72.95 o
-2 5 -22 1120.26 1128.85 24.53 o
-4 6 -22 492.74 511.48 11.12 o
-1 6 -22 159.97 164.27 16.63 o
-6 7 -22 1128.43 1095.90 36.99 o
-3 7 -22 173.51 181.50 12.46 o
0 7 -22 491.15 600.69 21.50 o
-5 8 -22 492.31 535.81 19.22 o
-2 8 -22 105.37 137.36 22.77 o
-1 2 -21 2389.80 2591.51 30.19 o
-2 4 -21 2321.85 2360.08 18.75 o
-4 5 -21 3457.92 3473.34 40.56 o
-1 5 -21 4885.81 5010.58 46.96 o
-3 6 -21 292.17 254.91 32.99 o
-5 7 -21 85.37 41.83 16.65 o
-2 7 -21 473.62 425.73 21.05 o
-7 8 -21 1181.88 1127.79 46.19 o
-4 8 -21 252.11 253.46 19.95 o
-1 8 -21 747.83 693.00 29.31 o
-1 1 -20 29858.60 31692.36 432.84 o
0 2 -20 6837.96 7010.33 120.05 o
-2 3 -20 17025.98 17557.39 117.96 o
-4 4 -20 30692.46 31212.88 507.18 o
-1 4 -20 23561.61 24471.78 258.58 o
-3 5 -20 6170.71 6289.03 53.70 o
0 5 -20 10798.60 10950.67 242.55 o
-5 6 -20 4292.02 4236.41 34.14 o
-2 6 -20 9873.06 9784.04 139.15 o
-7 7 -20 11281.52 11151.84 261.47 o
-4 7 -20 4934.51 4969.40 61.41 o
-1 7 -20 1817.39 1816.75 45.14 o
-6 8 -20 4056.41 3993.00 540.21 o
-3 8 -20 10027.59 9869.41 110.88 o
-5 9 -20 5078.17 4896.49 83.59 o
-1 3 -19 9537.85 9870.71 88.69 o
-3 4 -19 782.04 774.95 11.55 o
-2 5 -19 957.91 954.94 43.90 o
-4 6 -19 792.45 829.49 21.72 o
-1 6 -19 113.78 110.41 11.21 o
-6 7 -19 426.40 450.92 14.74 o
-3 7 -19 1181.21 1128.96 25.65 o
-5 8 -19 482.40 466.17 31.31 o
-2 8 -19 377.10 363.29 22.80 o
-4 9 -19 230.13 243.81 14.98 o
0 0 -18 27306.74 26772.86 91.68 o
-1 2 -18 1735.87 1713.52 23.83 o
-3 3 -18 2012.09 2139.24 31.93 o
0 3 -18 2909.05 2877.82 23.39 o
-2 4 -18 441.73 423.73 15.46 o
-4 5 -18 585.54 582.87 23.98 o
-1 5 -18 2188.24 2196.95 19.91 o
-6 6 -18 350.13 325.07 25.96 o
-3 6 -18 146.31 148.91 16.81 o
0 6 -18 3492.63 3645.44 82.09 o
-5 7 -18 286.37 284.18 11.79 o
-2 7 -18 500.01 493.91 17.01 o
-7 8 -18 486.90 478.07 55.08 o
-4 8 -18 1377.97 1363.36 31.24 o
-1 8 -18 235.39 240.22 19.69 o
-6 9 -18 413.59 414.37 23.18 o
-3 9 -18 38.67 59.99 25.52 o
-2 3 -17 1932.73 1971.26 18.89 o
-1 4 -17 291.80 304.24 8.56 o
-3 5 -17 9625.42 9624.94 52.72 o
-5 6 -17 614.58 641.21 27.01 o
-2 6 -17 1555.20 1578.02 26.47 o
-4 7 -17 1692.57 1800.14 38.11 o
-1 7 -17 448.23 457.20 15.18 o
-6 8 -17 2536.51 2452.64 37.00 o
-3 8 -17 634.76 708.56 33.53 o
-5 9 -17 519.59 567.52 13.67 o
-2 9 -17 74.92 94.27 21.90 o
0 1 -16 28819.57 30267.99 249.21 o
-2 2 -16 5307.85 5246.27 76.41 o
-1 3 -16 26967.75 27413.12 260.16 o
-3 4 -16 4170.01 4221.92 33.29 o
0 4 -16 5137.33 5107.55 32.60 o
-5 5 -16 4075.58 3989.94 28.23 o
-2 5 -16 7801.37 7923.03 114.77 o
-4 6 -16 22845.35 23599.34 157.87 o
-1 6 -16 8755.21 8852.73 90.44 o
-6 7 -16 4271.16 4388.23 86.05 o
-3 7 -16 2737.70 2781.41 63.64 o
0 7 -16 12235.75 12569.54 60.65 o
-8 8 -16 1864.82 1954.26 38.07 o
-5 8 -16 5930.59 5782.70 47.37 o
-2 8 -16 2645.51 2696.24 54.85 o
-7 9 -16 5005.43 4805.94 529.84 o
-4 9 -16 4141.38 4182.04 57.18 o
-1 2 -15 6753.87 6702.28 28.34 o
-2 4 -15 2820.20 3014.88 34.65 o
-4 5 -15 1295.85 1314.22 26.92 o
-1 5 -15 1260.50 1307.46 26.93 o
-3 6 -15 2182.40 2313.65 30.26 o
-5 7 -15 1153.03 1128.01 47.68 o
-2 7 -15 4283.09 4389.41 64.02 o
-7 8 -15 279.48 290.01 25.46 o
-4 8 -15 437.94 460.50 19.03 o
-1 8 -15 1499.05 1599.82 48.69 o
-6 9 -15 357.62 291.38 46.78 o
-3 9 -15 5.23 -10.77 12.77 o
-1 1 -14 4216.73 4127.92 91.79 o
0 2 -14 10025.81 9481.94 265.44 o
-2 3 -14 994.32 1009.83 17.25 o
-4 4 -14 11530.78 11487.18 105.68 o
-1 4 -14 2641.55 2690.95 33.00 o
-3 5 -14 1661.81 1691.96 16.24 o
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-5 6 -14 1544.52 1519.72 14.31 o
-2 6 -14 362.47 366.63 13.36 o
-7 7 -14 224.59 242.93 52.54 o
-4 7 -14 1421.17 1415.74 37.83 o
-1 7 -14 367.11 346.81 13.12 o
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-3 8 -14 889.09 893.71 15.43 o
0 8 -14 443.16 463.40 29.66 o
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-1 3 -13 37835.37 38254.38 315.76 o
-3 4 -13 725.77 729.40 13.46 o
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-4 6 -13 3880.98 3769.92 77.33 o
-1 6 -13 3143.77 3055.95 45.27 o
-6 7 -13 546.00 521.40 22.49 o
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-2 8 -13 534.84 578.45 14.87 o
-7 9 -13 774.69 794.40 27.63 o
-4 9 -13 134.00 173.05 15.78 o
-1 9 -13 193.97 238.39 52.17 o
-6 10 -13 402.51 398.39 17.91 o
0 0 -12 55210.33 59978.94 160.35 o
-1 2 -12 10631.11 10083.91 71.53 o
-3 3 -12 9978.51 9729.35 142.94 o
0 3 -12 13191.48 13400.81 282.94 o
-2 4 -12 4106.32 4163.18 32.86 o
-4 5 -12 141.22 140.01 20.89 o
-1 5 -12 7758.18 7889.15 162.49 o
-6 6 -12 23723.29 24169.46 215.49 o
-3 6 -12 4601.97 4542.78 42.65 o
0 6 -12 783.57 754.17 23.14 o
-5 7 -12 780.40 810.77 16.04 o
-2 7 -12 10912.58 10932.42 111.50 o
-7 8 -12 4032.21 3998.90 36.46 o
-4 8 -12 3913.56 4057.12 52.56 o
-1 8 -12 2491.48 2542.64 48.91 o
-6 9 -12 1390.44 1370.08 17.13 o
-3 9 -12 1156.23 1138.21 23.36 o
-5 10 -12 1497.41 1381.00 219.14 o
-2 3 -11 21305.52 20896.52 142.52 o
-1 4 -11 1413.44 1418.58 24.55 o
-3 5 -11 21.38 40.11 11.22 o
-5 6 -11 5056.17 4952.48 37.55 o
-2 6 -11 1607.04 1613.73 14.34 o
-4 7 -11 464.50 523.80 18.34 o
-1 7 -11 164.79 197.92 18.60 o
-6 8 -11 131.09 128.72 15.64 o
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-7 10 -11 70.97 69.53 19.11 o
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0 1 -10 906.30 884.27 15.45 o
-2 2 -10 7599.08 7234.18 93.30 o
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0 4 -10 10304.73 10634.16 98.50 o
-5 5 -10 2414.09 2462.02 24.65 o
-2 5 -10 2190.34 2119.38 24.12 o
-4 6 -10 1417.54 1374.14 34.63 o
-1 6 -10 1554.00 1565.86 46.77 o
-6 7 -10 25.98 -7.97 11.62 o
-3 7 -10 1844.86 1755.88 59.14 o
0 7 -10 2056.62 2148.74 37.76 o
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-4 9 -10 304.64 270.16 12.96 o
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-4 8 -9 852.03 832.52 13.82 o
-1 8 -9 259.10 245.91 17.13 o
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0 2 -8 9909.91 9027.29 155.64 o
-2 3 -8 11045.72 11759.59 211.02 o
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0 8 -8 2335.86 2444.49 35.92 o
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-1 3 -7 1422.60 1466.57 16.62 o
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-2 9 -5 1617.49 1508.58 20.84 o
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-1 3 -4 52184.86 51509.71 320.77 o
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-1 6 -4 17310.75 17580.71 129.51 o
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-3 7 -4 16170.49 16799.64 223.95 o
0 7 -4 7624.17 8061.46 118.73 o
-8 8 -4 2354.44 2298.73 102.92 o
-5 8 -4 4306.29 4307.06 301.53 o
-2 8 -4 6116.57 6521.81 73.53 o
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-2 6 28 1784.31 1740.19 25.14 o
-4 7 28 1790.75 1622.62 29.39 o
-1 3 29 1333.53 1312.22 25.35 o
-3 4 29 1357.64 1378.53 22.26 o
-2 5 29 39.68 46.35 18.05 o
-4 6 29 1298.62 1298.45 32.40 o
-1 6 29 842.86 826.36 18.76 o
-3 7 29 35.59 41.06 17.54 o
0 0 30 1312.03 1320.90 29.77 o
-1 2 30 460.16 486.76 20.09 o
-3 3 30 631.60 628.85 39.47 o
0 3 30 220.07 252.75 18.79 o
-2 4 30 327.15 347.38 17.64 o
-4 5 30 413.29 397.67 19.30 o
-1 5 30 709.40 691.54 22.59 o
-3 6 30 525.97 491.53 20.17 o
-2 3 31 646.84 620.92 18.07 o
-1 4 31 1038.78 987.60 24.50 o
-3 5 31 504.56 517.42 18.39 o
-5 6 31 473.11 500.53 13.87 o
-2 6 31 210.12 225.73 17.61 o
0 1 32 414.43 434.52 16.51 o
-2 2 32 2369.88 2410.61 47.16 o
-1 3 32 5298.27 5362.55 53.75 o
-3 4 32 2896.78 2936.16 34.88 o
0 4 32 2008.23 1975.07 22.89 o
-5 5 32 67.65 120.77 16.97 o
-2 5 32 1575.12 1607.59 37.81 o
-4 6 32 1810.85 1874.89 72.26 o
-1 2 33 2178.89 2189.66 13.81 o
-2 4 33 1444.89 1361.31 25.11 o
-4 5 33 520.42 537.20 31.44 o
-1 5 33 150.66 156.74 11.53 o
-1 1 34 35.19 92.46 41.93 o
0 2 34 905.75 836.99 44.99 o
-2 3 34 548.11 541.79 17.49 o
-4 4 34 738.83 767.08 33.88 o
-1 4 34 211.77 245.61 22.97 o
-3 5 34 78.87 96.87 19.48 o
-1 3 35 747.98 758.12 16.70 o
-3 4 35 438.54 432.03 33.54 o
0 0 36 1819.84 1920.34 31.88 o
-1 2 36 3018.80 2968.86 59.43 o
-3 3 36 5197.59 4828.78 1374.01 o
0 3 36 4572.04 4279.78 82.62 o
-2 4 36 4597.78 4446.98 124.37 o
-2 3 37 1558.35 1443.09 46.75 o
0 1 38 390.34 367.70 29.30 o