#------------------------------------------------------------------------------
#$Date: 2012-09-11 12:26:43 +0300 (Tue, 11 Sep 2012) $
#$Revision: 66590 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/39/2233976.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_2233976_Fobs
loop_
_publ_author_name
'Gougeon, Patrick'
'Gall, Philippe'
_publ_section_title
;
 LiCe~9~Mo~16~O~35~
;
_journal_coeditor_code           RU2029
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i21
_journal_page_last               i22
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 102.095
_cell_angle_gamma                90.000
_cell_length_a                   18.3000
_cell_length_b                   8.6326
_cell_length_c                   9.8172
_exptl_crystal_F_000             2954.00
_reflns_d_resolution_high        0.6196
_[local]_cod_data_source_file    ru2029Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'                                    lice in C 2/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1402.42
_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'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
4 0 0 13447.50 14184.72 288.41 o
6 0 0 324385.56 338294.75 7620.74 o
8 0 0 287773.66 291760.28 9329.31 o
10 0 0 968137.06 945203.06 48740.62 o
12 0 0 33454.38 34152.67 1283.85 o
14 0 0 46160.57 46036.26 1688.49 o
16 0 0 51.65 -50.49 261.70 o
18 0 0 127538.10 131760.14 4503.68 o
20 0 0 483700.78 505093.84 16354.80 o
22 0 0 17501.07 17117.01 945.25 o
24 0 0 61.52 54.70 410.64 o
26 0 0 101197.77 102067.10 3761.90 o
28 0 0 12947.14 12916.66 886.35 o
3 1 0 718.57 868.57 71.52 o
5 1 0 312196.34 329919.34 10369.81 o
7 1 0 116.91 267.24 63.16 o
9 1 0 32258.34 31915.16 1190.39 o
11 1 0 53263.62 56073.04 1382.16 o
13 1 0 9699.45 9584.05 204.88 o
15 1 0 156626.19 156864.11 2936.32 o
17 1 0 3566.32 3428.67 151.23 o
19 1 0 16776.99 17045.95 606.64 o
21 1 0 42671.74 41534.55 1203.54 o
23 1 0 886.05 1330.25 286.29 o
25 1 0 46760.89 46181.85 1388.75 o
27 1 0 2183.23 2139.12 447.13 o
0 2 0 2045.44 2083.68 111.17 o
2 2 0 85757.34 88108.49 1065.12 o
4 2 0 494038.94 515282.75 16365.99 o
6 2 0 6433.23 6900.86 199.39 o
8 2 0 202109.39 196762.95 5753.76 o
10 2 0 255748.08 265231.09 6055.41 o
12 2 0 120448.91 125898.87 2966.64 o
14 2 0 8140.90 8240.15 351.54 o
16 2 0 139560.58 142704.11 3401.57 o
18 2 0 80272.73 81923.95 2071.59 o
20 2 0 5318.89 5075.07 346.69 o
22 2 0 2541.09 2469.96 325.03 o
24 2 0 18303.40 17654.29 719.37 o
26 2 0 21655.68 21458.93 861.89 o
28 2 0 5026.89 5091.70 468.11 o
1 3 0 70754.47 69775.78 869.63 o
5 3 0 38649.93 31180.94 564.95 o
7 3 0 86607.27 86569.99 2555.79 o
9 3 0 587.81 939.81 112.38 o
11 3 0 14228.93 13778.25 265.55 o
13 3 0 138741.36 139970.00 3305.76 o
15 3 0 63987.78 67122.13 1704.19 o
17 3 0 42715.39 42423.78 1171.68 o
19 3 0 5198.80 5486.71 241.20 o
21 3 0 10244.59 10063.17 501.58 o
23 3 0 163639.39 166861.52 4073.41 o
25 3 0 5071.70 4947.16 486.77 o
27 3 0 417.16 1480.06 1217.32 o
2 4 0 119920.06 118415.71 2054.34 o
4 4 0 122768.92 121631.09 1744.00 o
6 4 0 537400.00 529873.00 15650.33 o
8 4 0 72186.96 72022.95 1341.55 o
10 4 0 705.77 979.49 94.53 o
12 4 0 3404.53 3476.99 83.18 o
14 4 0 214854.33 216831.63 3440.25 o
16 4 0 3730.26 4537.02 842.42 o
18 4 0 29455.63 29151.02 898.84 o
20 4 0 75126.20 76954.12 1577.34 o
22 4 0 10109.48 9869.42 871.53 o
24 4 0 16878.38 16145.83 728.84 o
26 4 0 28728.81 27456.32 1021.19 o
1 5 0 1521.98 1557.22 110.75 o
3 5 0 49896.40 49626.28 684.05 o
5 5 0 165774.22 167800.02 2403.40 o
7 5 0 4650.36 4611.91 172.28 o
9 5 0 20337.78 20516.11 443.57 o
11 5 0 119781.55 120675.81 2870.36 o
13 5 0 32958.59 32808.54 934.18 o
15 5 0 160087.45 162029.56 3854.69 o
17 5 0 47886.00 46859.23 1306.47 o
19 5 0 9235.50 9657.00 1193.59 o
21 5 0 53926.81 54082.60 1533.11 o
23 5 0 15955.44 16213.24 681.17 o
25 5 0 35199.91 35126.14 1184.92 o
0 6 0 1260482.75 1311861.13 43045.16 o
2 6 0 28220.79 28085.43 445.13 o
4 6 0 55496.74 55489.46 837.05 o
6 6 0 72.45 296.15 64.63 o
8 6 0 70166.70 72812.46 1452.29 o
10 6 0 1118114.63 1204670.88 27086.38 o
12 6 0 9500.95 8839.23 451.01 o
14 6 0 1255.06 1729.35 483.67 o
16 6 0 82177.77 81764.59 2091.13 o
18 6 0 50087.57 50650.42 1425.62 o
20 6 0 106511.44 105746.15 2705.84 o
22 6 0 4667.21 4211.02 437.85 o
24 6 0 2655.45 2525.82 459.93 o
26 6 0 1391.77 2556.76 495.25 o
1 7 0 6584.98 6914.00 198.89 o
3 7 0 102479.47 102437.43 1220.56 o
5 7 0 127326.23 127431.52 1861.07 o
7 7 0 8801.11 8780.67 235.42 o
9 7 0 211836.34 217163.00 3600.77 o
11 7 0 2703.48 4340.97 267.69 o
13 7 0 8842.43 8043.74 320.87 o
15 7 0 36847.22 36009.36 1064.69 o
17 7 0 35574.86 35091.42 1272.02 o
19 7 0 5304.85 5392.26 525.21 o
21 7 0 12920.54 13320.87 683.24 o
23 7 0 23267.57 22959.27 926.64 o
0 8 0 99438.43 97119.34 2351.99 o
2 8 0 101898.09 102861.38 1354.26 o
4 8 0 4626.72 4321.56 109.53 o
6 8 0 43431.00 42944.26 680.33 o
8 8 0 72496.20 74034.48 1308.57 o
10 8 0 6560.30 6427.43 272.37 o
12 8 0 23843.72 24136.35 482.05 o
14 8 0 11554.64 11164.61 296.74 o
16 8 0 227.77 516.85 154.77 o
18 8 0 33312.12 33018.04 1066.20 o
20 8 0 10056.19 10090.66 578.81 o
22 8 0 28666.69 28234.24 1115.05 o
1 9 0 739.16 944.89 156.26 o
3 9 0 10033.14 10014.71 226.12 o
5 9 0 24006.94 24288.13 428.44 o
7 9 0 146302.03 151277.02 2563.71 o
9 9 0 55643.19 56750.89 1048.16 o
11 9 0 45057.91 45965.91 1171.52 o
13 9 0 225775.48 232637.92 4506.37 o
15 9 0 4098.52 3823.81 282.68 o
17 9 0 2767.69 2476.77 358.75 o
19 9 0 10772.63 10387.64 480.42 o
21 9 0 7334.43 7455.28 439.39 o
0 10 0 42933.84 41585.32 1129.95 o
2 10 0 3807.94 4129.02 196.21 o
4 10 0 203844.91 206133.23 3003.13 o
6 10 0 143714.28 147527.98 2511.46 o
8 10 0 15406.22 15379.66 391.43 o
10 10 0 44547.41 44219.16 1025.11 o
12 10 0 264.93 231.62 306.50 o
14 10 0 117237.16 119223.70 2439.80 o
16 10 0 64545.89 65687.77 1498.13 o
18 10 0 11425.18 11224.09 508.88 o
20 10 0 17437.33 16776.30 653.53 o
1 11 0 64173.54 64226.01 1021.64 o
3 11 0 29172.07 28694.21 521.09 o
5 11 0 54473.29 55861.49 1051.34 o
7 11 0 50553.40 50438.01 971.38 o
9 11 0 2712.05 3365.38 514.31 o
11 11 0 24107.53 24013.31 676.09 o
13 11 0 16281.38 16058.62 529.65 o
15 11 0 22277.39 22425.68 716.70 o
17 11 0 159.58 804.04 326.73 o
0 12 0 361307.56 371606.03 6878.51 o
2 12 0 233.95 131.86 159.45 o
4 12 0 2090.28 2079.52 237.12 o
6 12 0 155.57 902.54 304.90 o
8 12 0 8659.55 8787.25 924.48 o
10 12 0 268145.47 281511.53 6595.39 o
12 12 0 3887.74 3801.15 334.42 o
14 12 0 935.58 1169.28 364.40 o
1 13 0 95363.28 96693.62 2019.62 o
3 13 0 1110.61 1124.61 212.97 o
5 13 0 20668.13 20279.62 994.58 o
7 13 0 55072.05 54306.36 1269.54 o
9 13 0 36030.92 36578.72 942.21 o
-28 0 1 21704.08 22057.95 1269.32 o
-26 0 1 163.67 1003.06 486.38 o
-24 0 1 79924.28 77745.27 2922.65 o
-22 0 1 46006.09 45211.96 1848.37 o
-20 0 1 10058.69 11654.19 719.88 o
-18 0 1 20666.70 21277.49 983.45 o
-16 0 1 6215.80 6056.17 449.89 o
-14 0 1 64340.88 64828.50 2285.30 o
-12 0 1 45846.49 47257.65 1704.11 o
-10 0 1 122177.66 126628.08 4167.53 o
-8 0 1 259646.31 264030.75 8479.39 o
-6 0 1 18229.33 18757.97 493.92 o
-4 0 1 84751.98 87119.02 3434.24 o
4 0 1 10.55 162.94 60.23 o
6 0 1 31307.81 33078.54 589.62 o
10 0 1 20010.86 19785.46 611.30 o
12 0 1 377070.03 409872.84 13167.39 o
14 0 1 128165.16 128565.50 2862.04 o
16 0 1 100057.88 104215.60 3582.89 o
18 0 1 85286.84 86354.59 3071.66 o
20 0 1 2211.82 3274.44 481.73 o
22 0 1 13524.72 12294.40 775.48 o
24 0 1 1425.70 1357.93 351.90 o
26 0 1 28458.95 27765.17 1414.21 o
28 0 1 108231.82 108251.20 3992.45 o
-29 1 1 10468.24 9951.72 928.66 o
-27 1 1 825.18 1094.20 390.11 o
-25 1 1 1745.87 1848.14 342.38 o
-23 1 1 8165.67 7599.87 468.38 o
-21 1 1 787.88 1313.20 281.96 o
-19 1 1 10584.56 11565.24 1872.25 o
-17 1 1 210.62 151.38 172.80 o
-15 1 1 57.13 297.40 96.16 o
-13 1 1 7795.50 8241.83 333.17 o
-11 1 1 40624.90 42055.57 1348.15 o
-9 1 1 11390.28 12462.84 379.31 o
-7 1 1 3146.39 3453.84 171.45 o
-5 1 1 6804.77 6727.89 117.81 o
-3 1 1 11951.22 11824.72 153.17 o
1 1 1 4176.49 4610.29 59.97 o
3 1 1 191.95 404.82 61.78 o
5 1 1 1562.98 1713.00 80.54 o
7 1 1 165564.55 165877.63 3789.54 o
9 1 1 40777.79 39075.25 617.90 o
11 1 1 1027.73 1606.41 75.15 o
13 1 1 411.58 943.86 87.79 o
15 1 1 86.12 298.28 178.60 o
17 1 1 190982.31 196420.58 4645.69 o
19 1 1 2064.83 2555.39 268.38 o
21 1 1 4025.89 3343.09 336.28 o
23 1 1 469.24 433.67 290.20 o
25 1 1 3994.15 3922.86 426.73 o
27 1 1 120566.81 118390.97 3350.04 o
-28 2 1 2940.03 3093.22 452.00 o
-26 2 1 26093.91 25871.61 932.25 o
-24 2 1 52700.43 51656.16 1486.31 o
-22 2 1 24317.80 23286.62 806.47 o
-20 2 1 8539.16 8513.26 421.61 o
-18 2 1 175577.59 180496.92 4279.54 o
-16 2 1 13955.12 13599.07 499.31 o
-14 2 1 8322.00 8343.52 358.20 o
-12 2 1 133528.03 137691.22 3228.52 o
-10 2 1 94939.86 93452.71 1732.54 o
-8 2 1 15041.39 15674.93 399.67 o
-6 2 1 1360.54 1199.13 60.42 o
-4 2 1 362983.81 385822.50 8511.93 o
-2 2 1 10482.01 10911.27 128.40 o
0 2 1 2791.51 2867.47 38.83 o
2 2 1 210805.30 217663.98 3051.22 o
4 2 1 170831.27 168912.86 2419.21 o
6 2 1 23141.54 21553.97 342.72 o
8 2 1 149167.14 154078.72 2788.96 o
10 2 1 2290.00 2314.95 160.32 o
12 2 1 28238.60 28264.65 775.48 o
14 2 1 14156.86 14386.33 387.11 o
16 2 1 206719.98 214162.67 4030.77 o
18 2 1 25943.74 25604.04 592.68 o
20 2 1 293.99 110.25 230.76 o
22 2 1 33169.04 32532.67 1027.66 o
24 2 1 71079.14 71056.72 1927.32 o
26 2 1 33032.10 31945.48 1078.38 o
28 2 1 31283.59 29593.53 1060.49 o
-27 3 1 10098.23 9108.94 591.56 o
-25 3 1 1688.50 1842.46 679.44 o
-23 3 1 176.75 489.16 335.44 o
-21 3 1 73354.11 73749.29 1949.17 o
-19 3 1 916.42 1049.67 194.24 o
-17 3 1 13175.40 12595.44 694.48 o
-15 3 1 122614.70 125370.87 3005.08 o
-13 3 1 8265.73 8438.99 345.76 o
-11 3 1 3382.51 3441.81 134.76 o
-9 3 1 49757.46 47449.37 793.83 o
-7 3 1 396976.19 413636.06 9329.50 o
-5 3 1 76320.53 73560.95 908.74 o
-3 3 1 13340.30 13905.33 245.22 o
-1 3 1 31777.20 29826.43 416.36 o
1 3 1 142770.67 143906.22 1602.29 o
3 3 1 247542.08 245375.84 3811.62 o
5 3 1 270394.59 286032.84 4640.27 o
7 3 1 1669.83 2016.29 102.86 o
9 3 1 31795.02 31516.65 596.92 o
11 3 1 287693.63 293621.63 6710.15 o
13 3 1 267953.50 282045.78 6483.87 o
15 3 1 76.97 453.94 526.77 o
17 3 1 11862.90 11816.65 345.63 o
19 3 1 234.87 298.02 143.06 o
21 3 1 79694.42 78471.14 2217.34 o
23 3 1 147991.05 148302.38 3657.20 o
25 3 1 375.98 1021.29 393.85 o
27 3 1 4030.81 3552.64 479.70 o
-26 4 1 44363.21 44412.04 1369.14 o
-24 4 1 15559.67 14661.04 674.60 o
-22 4 1 41752.02 41296.64 1249.66 o
-20 4 1 13939.61 13274.67 576.90 o
-18 4 1 421.29 794.47 267.21 o
-16 4 1 37.08 539.12 336.16 o
-14 4 1 58867.85 58581.41 1199.56 o
-12 4 1 34.16 422.69 81.67 o
-10 4 1 640.91 1126.98 98.22 o
-8 4 1 105100.37 102314.47 1669.78 o
-6 4 1 72823.52 73007.43 1066.91 o
-4 4 1 6905.21 7506.35 144.19 o
-2 4 1 133675.55 131607.81 1537.45 o
0 4 1 33198.69 32787.28 413.47 o
2 4 1 117193.34 116915.58 1690.61 o
4 4 1 69514.40 67706.81 964.36 o
6 4 1 225643.78 241396.44 4825.30 o
8 4 1 15547.10 15269.03 305.63 o
12 4 1 25110.39 24411.25 613.39 o
14 4 1 212212.08 218785.55 3531.14 o
16 4 1 49580.71 49116.68 1325.41 o
18 4 1 42603.75 43322.25 952.44 o
20 4 1 10919.90 10440.81 346.92 o
22 4 1 27221.30 27236.04 969.81 o
24 4 1 5819.81 5810.97 494.06 o
26 4 1 60415.14 62387.45 1784.45 o
-27 5 1 21416.19 21420.24 922.55 o
-25 5 1 1241.34 3302.80 641.45 o
-23 5 1 4515.12 4170.18 560.01 o
-21 5 1 8965.57 9105.06 520.22 o
-19 5 1 15052.31 14775.15 618.19 o
-17 5 1 2405.25 3200.96 286.85 o
-15 5 1 15935.08 15572.99 558.41 o
-13 5 1 23628.13 24200.03 436.52 o
-11 5 1 57517.23 58193.45 1119.66 o
-9 5 1 41427.22 41856.99 1042.47 o
-7 5 1 37026.80 37251.47 527.47 o
-5 5 1 31313.81 30666.49 438.54 o
-3 5 1 765.95 1238.53 82.58 o
-1 5 1 12368.10 12491.72 180.59 o
1 5 1 9263.51 9488.83 205.72 o
3 5 1 5606.69 5575.54 128.15 o
5 5 1 44339.25 45496.24 761.17 o
7 5 1 58424.01 59521.55 995.24 o
9 5 1 30515.39 31239.35 518.37 o
11 5 1 8312.36 9154.24 245.96 o
13 5 1 1036.23 1421.86 173.02 o
15 5 1 6778.50 7107.01 381.17 o
17 5 1 58248.10 57634.59 1548.10 o
19 5 1 27991.47 27363.88 903.95 o
21 5 1 22311.49 22384.59 607.17 o
23 5 1 1711.00 1555.16 414.76 o
25 5 1 32060.64 31904.14 1097.19 o
-26 6 1 4818.23 4092.68 502.16 o
-24 6 1 74.11 820.29 411.93 o
-22 6 1 9409.93 9261.66 574.03 o
-20 6 1 12914.92 12070.58 595.32 o
-18 6 1 29995.12 30526.22 967.07 o
-16 6 1 327.39 1525.77 640.85 o
-14 6 1 15950.01 16202.88 619.35 o
-12 6 1 3706.01 3971.83 268.18 o
-10 6 1 1348.60 1904.56 237.98 o
-8 6 1 581.30 964.63 144.42 o
-6 6 1 46.00 498.83 80.95 o
-4 6 1 41298.37 41240.59 637.78 o
-2 6 1 257087.77 258736.39 3698.37 o
0 6 1 54709.68 54634.40 753.75 o
2 6 1 183282.88 182768.28 3014.99 o
4 6 1 29285.59 29004.90 462.42 o
6 6 1 23114.56 24217.39 480.09 o
8 6 1 180921.25 184741.75 2595.09 o
10 6 1 6729.03 7539.27 197.50 o
12 6 1 20988.32 21763.69 471.52 o
14 6 1 3935.50 3911.30 371.61 o
16 6 1 7791.44 8068.71 319.81 o
18 6 1 278153.47 289561.94 5866.71 o
20 6 1 612.62 1054.59 211.76 o
22 6 1 99333.53 100105.26 2605.29 o
24 6 1 46093.88 47829.93 1465.46 o
-25 7 1 75.55 147.68 285.92 o
-23 7 1 13039.00 12336.52 684.89 o
-21 7 1 45607.85 45269.02 1376.05 o
-19 7 1 3715.61 3125.38 394.96 o
-17 7 1 7847.41 7922.54 466.85 o
-15 7 1 45037.35 44714.52 1032.14 o
-13 7 1 2521.71 2495.03 168.91 o
-11 7 1 63.26 903.15 228.54 o
-9 7 1 11528.88 11994.47 362.63 o
-7 7 1 33242.86 32861.22 534.99 o
-5 7 1 17051.99 17241.63 308.67 o
-3 7 1 20679.67 20371.04 276.07 o
-1 7 1 237861.70 241335.53 4564.56 o
1 7 1 2115.93 2137.42 111.09 o
3 7 1 14884.62 14877.94 275.88 o
5 7 1 67793.02 68592.29 1199.36 o
7 7 1 118691.38 118425.09 2009.12 o
9 7 1 1837.67 2619.25 251.50 o
11 7 1 48779.98 46653.00 936.77 o
13 7 1 2228.29 2401.01 153.53 o
15 7 1 19154.13 19535.34 483.48 o
17 7 1 271064.06 275748.47 6471.21 o
19 7 1 22526.12 22450.45 1120.75 o
21 7 1 8916.46 8726.29 900.10 o
23 7 1 34.38 99.62 355.79 o
-22 8 1 52034.08 52459.48 1295.82 o
-20 8 1 9478.58 10123.42 515.23 o
-18 8 1 17693.68 17636.25 583.83 o
-16 8 1 10329.90 10017.85 419.86 o
-14 8 1 52598.76 52271.54 1012.78 o
-12 8 1 14292.95 14245.83 440.27 o
-10 8 1 2227.37 1957.51 199.19 o
-8 8 1 63201.34 63643.57 978.31 o
-6 8 1 1.73 241.20 121.39 o
-4 8 1 21766.45 21059.96 384.08 o
-2 8 1 24978.64 25312.84 437.94 o
0 8 1 13199.32 13698.92 282.82 o
2 8 1 2150.66 2211.00 109.79 o
4 8 1 2673.38 2612.53 100.78 o
6 8 1 100828.70 102826.02 1766.93 o
8 8 1 3098.01 2829.23 189.48 o
10 8 1 1588.28 1602.72 177.32 o
12 8 1 38523.54 38090.31 790.70 o
14 8 1 36553.05 36229.56 790.80 o
16 8 1 42621.45 41859.18 907.96 o
18 8 1 4108.42 5004.39 303.70 o
20 8 1 24.81 599.54 249.03 o
22 8 1 1781.52 1251.16 412.53 o
-21 9 1 363.91 916.21 336.57 o
-19 9 1 1408.92 2101.25 344.55 o
-17 9 1 61607.74 61939.90 1415.77 o
-15 9 1 390.68 1326.71 306.96 o
-13 9 1 2827.32 3012.09 247.22 o
-11 9 1 78631.67 79321.82 1963.01 o
-9 9 1 5.13 690.37 289.28 o
-7 9 1 15125.00 14908.87 295.74 o
-5 9 1 150479.36 152215.06 2231.89 o
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