#------------------------------------------------------------------------------
#$Date: 2011-09-28 14:24:46 +0000 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://cod.ibt.lt/cod/hkl/2/01/43/2014364.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_2014364_Fobs
loop_
_publ_author_name
'Solodovnikova, Zoya A.'
'Solodovnikov, Sergey F.'
'Zolotova, Evgeniya S.'
_publ_section_title
;
 New triple molybdates Cs~3~LiCo~2~(MoO~4~)~4~ and
 Rb~3~LiZn~2~(MoO~4~)~4~, filled derivatives of the
 Cs~6~Zn~5~(MoO~4~)~8~ type
;
_journal_coeditor_code           IZ1066
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i6
_journal_page_last               i8
_journal_volume                  62
_journal_year                    2006
_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                   12.2239
_cell_length_b                   12.2239
_cell_length_c                   12.2239
_exptl_crystal_F_000             2072.00
_reflns_d_resolution_high        0.6067
_[local]_cod_data_source_file    iz1066Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' test in I-43d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            688.89
_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
-1 1 2 3076.70 3241.15 46.40 o
0 2 2 32231.61 32570.03 359.15 o
0 1 3 89612.49 92056.99 638.86 o
-1 2 3 262140.00 261807.78 1940.64 o
1 2 3 259211.95 256279.45 1940.66 o
-2 3 3 121604.69 129438.85 1426.07 o
2 3 3 120236.10 129111.56 1425.36 o
0 0 4 65264.83 65946.67 954.22 o
-2 2 4 51759.86 49349.99 587.45 o
0 2 4 152140.67 149250.88 1181.26 o
2 2 4 54125.21 51068.29 586.91 o
-1 3 4 6670.31 6738.22 77.89 o
1 3 4 5425.69 5453.46 67.89 o
-4 4 4 474563.13 465715.34 9864.94 o
0 4 4 3073.55 2544.76 101.43 o
4 4 4 467420.59 465891.00 9864.82 o
0 1 5 18698.94 21219.09 173.31 o
-1 2 5 82901.88 81735.45 648.23 o
1 2 5 83787.42 82318.05 649.13 o
-2 3 5 21757.64 22241.32 228.11 o
0 3 5 38191.47 38333.32 327.21 o
2 3 5 26120.27 26196.37 222.61 o
-3 4 5 37378.62 37657.87 332.19 o
-1 4 5 38502.73 38907.42 349.31 o
1 4 5 36234.16 36536.34 329.41 o
3 4 5 37501.21 37615.95 337.87 o
-2 5 5 49185.85 49193.70 605.36 o
2 5 5 50904.73 51685.87 586.08 o
-1 1 6 105991.26 109135.27 1172.14 o
1 1 6 98762.13 101281.28 1170.58 o
0 2 6 87363.71 87612.52 705.63 o
-3 3 6 12503.57 12383.13 196.33 o
-1 3 6 95382.23 95682.88 776.75 o
1 3 6 93849.67 93617.09 790.57 o
3 3 6 11612.55 11416.38 172.68 o
-2 4 6 82238.38 83092.74 703.28 o
0 4 6 156185.25 156816.48 1295.46 o
2 4 6 79769.35 80576.91 665.40 o
-5 5 6 21553.93 21906.12 340.67 o
-3 5 6 2174.58 2050.87 56.99 o
-1 5 6 78746.33 79122.75 700.49 o
1 5 6 80390.68 80265.44 717.21 o
3 5 6 3134.44 2989.84 68.73 o
5 5 6 23403.92 24246.50 328.20 o
-4 6 6 6457.97 6695.65 140.51 o
0 6 6 6223.24 6507.66 159.73 o
4 6 6 7506.52 7530.93 142.30 o
0 1 7 30673.39 30538.60 248.10 o
-1 2 7 5484.94 5614.56 77.12 o
1 2 7 4397.83 4582.03 72.01 o
-2 3 7 21108.97 21031.46 221.50 o
0 3 7 42.18 22.91 35.59 o
2 3 7 22591.80 22365.30 209.17 o
-3 4 7 45256.02 46058.54 449.13 o
-1 4 7 26248.89 26357.03 246.51 o
1 4 7 26363.82 26300.38 255.25 o
3 4 7 42692.48 43321.41 409.42 o
-4 5 7 53157.82 53886.94 530.93 o
-2 5 7 89706.13 90902.99 784.16 o
0 5 7 12754.80 12531.12 153.01 o
2 5 7 89828.36 91027.91 769.58 o
4 5 7 53196.84 54971.16 488.20 o
-5 6 7 38681.84 40111.29 456.11 o
-3 6 7 17784.56 17498.78 196.85 o
-1 6 7 24529.54 24519.88 270.11 o
1 6 7 25438.08 25558.59 265.26 o
3 6 7 17921.29 17380.73 185.75 o
5 6 7 36869.29 37671.67 414.46 o
-6 7 7 13120.75 12914.18 288.92 o
-2 7 7 34986.43 35584.33 490.55 o
2 7 7 34400.91 34720.85 487.93 o
6 7 7 14076.94 13848.21 292.55 o
0 0 8 250410.73 248472.02 3531.26 o
-2 2 8 124551.42 126499.13 1617.41 o
0 2 8 172.35 182.82 42.60 o
2 2 8 130339.02 132222.72 1555.51 o
-1 3 8 22888.27 22737.03 228.22 o
1 3 8 23266.90 23580.29 228.43 o
-4 4 8 11316.70 11161.28 215.48 o
-2 4 8 73265.46 73009.48 665.26 o
0 4 8 3415.51 3215.05 66.32 o
2 4 8 76479.86 76485.05 654.01 o
4 4 8 12937.82 12681.58 246.27 o
-3 5 8 19514.04 19713.57 230.85 o
-1 5 8 7994.54 7458.66 125.12 o
1 5 8 9181.40 9126.72 118.68 o
3 5 8 19471.68 19523.50 228.51 o
-6 6 8 9833.36 9120.46 237.43 o
-4 6 8 43233.65 42543.14 476.05 o
-2 6 8 40545.36 41667.72 405.78 o
0 6 8 0.41 -30.25 52.96 o
2 6 8 37454.42 38470.82 394.66 o
4 6 8 42693.86 42416.29 432.41 o
6 6 8 10778.43 10612.81 284.90 o
-5 7 8 10281.60 10566.01 203.75 o
-3 7 8 11242.98 10628.19 164.85 o
-1 7 8 16574.95 16794.39 236.57 o
1 7 8 16581.45 16344.20 222.11 o
3 7 8 12517.43 12328.03 167.92 o
5 7 8 9686.84 9882.87 165.80 o
-8 8 8 55591.60 56795.36 1569.86 o
-4 8 8 14819.30 14962.46 326.08 o
0 8 8 117500.84 119565.48 1764.96 o
4 8 8 16193.15 16121.11 324.94 o
8 8 8 52486.48 56442.96 1799.08 o
0 1 9 21626.04 21503.71 199.80 o
-1 2 9 34187.11 34096.21 309.73 o
1 2 9 33148.48 32863.60 315.05 o
-2 3 9 37592.07 38035.90 378.93 o
0 3 9 57786.91 59958.53 532.34 o
2 3 9 38012.25 38191.61 355.64 o
-3 4 9 9556.50 9852.02 142.78 o
-1 4 9 21948.62 21738.17 234.15 o
1 4 9 21892.20 21805.42 239.06 o
3 4 9 8608.85 8482.71 134.34 o
-4 5 9 2474.33 2312.45 93.59 o
-2 5 9 1356.71 1171.39 84.24 o
0 5 9 26882.56 26747.14 276.48 o
2 5 9 1162.67 1155.01 65.66 o
4 5 9 3046.61 3068.82 102.59 o
-5 6 9 7635.39 7191.67 144.60 o
-3 6 9 27188.92 27288.10 315.44 o
-1 6 9 17401.40 16961.71 196.56 o
1 6 9 16439.87 16118.61 206.86 o
3 6 9 25756.74 25530.47 296.34 o
5 6 9 6871.48 6678.80 133.23 o
-6 7 9 15431.28 16055.04 264.80 o
-4 7 9 4110.34 3856.97 125.63 o
-2 7 9 3299.43 3126.94 85.71 o
0 7 9 5219.92 5071.32 136.62 o
2 7 9 2592.09 2668.64 93.08 o
4 7 9 4043.53 4005.41 114.36 o
6 7 9 16472.56 16710.81 236.28 o
-7 8 9 2224.47 2362.81 118.52 o
-5 8 9 8332.11 8267.32 164.96 o
-3 8 9 19799.22 20129.90 278.33 o
-1 8 9 12638.52 12312.75 333.87 o
1 8 9 12699.37 12257.80 290.09 o
3 8 9 21125.30 20643.57 262.67 o
5 8 9 7941.88 7945.29 160.34 o
7 8 9 2236.12 2495.84 114.94 o
-6 9 9 11486.55 11536.36 314.96 o
-2 9 9 23427.15 24179.14 557.30 o
2 9 9 23254.79 22984.78 552.35 o
6 9 9 12706.16 12265.45 287.52 o
-1 1 10 38068.79 37675.42 554.81 o
1 1 10 34716.13 34627.59 550.54 o
0 2 10 1375.22 1368.84 71.36 o
-3 3 10 23801.34 24447.02 396.67 o
-1 3 10 27874.81 28089.43 302.26 o
1 3 10 25626.58 25555.58 306.22 o
3 3 10 22107.85 21996.09 372.08 o
-2 4 10 1232.55 1088.21 75.42 o
0 4 10 29982.06 29929.76 335.48 o
2 4 10 1690.68 1566.12 75.98 o
-5 5 10 8881.78 8286.33 230.03 o
-3 5 10 42720.98 43337.11 501.54 o
-1 5 10 14046.37 13994.12 197.68 o
1 5 10 15245.47 15296.15 200.14 o
3 5 10 44159.69 45047.93 477.35 o
5 5 10 9550.13 9187.26 225.72 o
-4 6 10 54591.03 56258.62 621.22 o
-2 6 10 24.67 -33.59 68.64 o
0 6 10 65188.82 66904.29 681.77 o
2 6 10 24.66 -14.74 67.59 o
4 6 10 54831.59 55476.45 604.99 o
-7 7 10 14178.73 14263.03 334.66 o
-5 7 10 19518.71 19458.65 287.54 o
-3 7 10 10746.44 10308.46 188.12 o
-1 7 10 5783.30 5702.64 137.37 o
1 7 10 6169.86 5905.45 137.49 o
3 7 10 10514.51 11104.07 216.74 o
5 7 10 18221.21 18072.27 270.26 o
7 7 10 14553.00 14610.08 336.07 o
-6 8 10 12282.09 12475.07 224.25 o
-4 8 10 20573.54 20345.85 300.14 o
-2 8 10 3347.78 2962.89 121.10 o
0 8 10 61.25 20.51 110.24 o
2 8 10 3187.31 2874.70 147.21 o
4 8 10 20039.76 19980.38 311.12 o
6 8 10 12363.85 12736.96 226.07 o
-9 9 10 10933.62 11238.65 350.97 o
-7 9 10 4462.98 4099.67 162.88 o
-5 9 10 6671.14 6871.70 198.33 o
-3 9 10 10148.05 10324.58 269.65 o
-1 9 10 4674.59 4518.01 175.41 o
1 9 10 4741.48 4258.21 204.30 o
3 9 10 9375.73 9326.96 263.15 o
5 9 10 6074.02 6307.32 253.88 o
7 9 10 5272.80 5047.52 157.83 o
9 9 10 11398.22 12398.06 458.07 o
-8 10 10 132.92 169.27 186.76 o
-4 10 10 8676.00 8382.19 282.23 o
0 10 10 15052.64 14758.09 435.25 o
4 10 10 8784.65 8957.52 480.26 o
8 10 10 245.31 136.30 184.78 o
0 1 11 29815.77 30029.56 381.32 o
-1 2 11 8520.44 8295.34 154.71 o
1 2 11 8351.53 8019.85 154.06 o
-2 3 11 24937.93 24313.75 311.50 o
0 3 11 12917.64 12822.27 204.56 o
2 3 11 25902.50 25375.18 315.13 o
-3 4 11 13225.89 13065.92 225.30 o
-1 4 11 3191.69 3238.74 106.92 o
1 4 11 2792.47 2860.94 122.32 o
3 4 11 13141.15 13128.26 207.98 o
-4 5 11 4133.41 4133.83 133.77 o
-2 5 11 8356.89 8129.56 176.89 o
0 5 11 4087.21 3950.06 116.41 o
2 5 11 9531.54 9372.64 165.56 o
4 5 11 4132.25 4130.50 126.84 o
-5 6 11 2178.63 2058.46 117.99 o
-3 6 11 21317.77 21623.84 322.89 o
-1 6 11 5543.35 5493.79 160.97 o
1 6 11 5310.79 5282.30 136.47 o
3 6 11 21556.93 21981.39 331.16 o
5 6 11 2901.72 2507.68 119.57 o
-6 7 11 5497.11 5710.04 162.45 o
-4 7 11 1879.34 1672.08 112.45 o
-2 7 11 2177.40 2145.57 103.20 o
0 7 11 15431.91 15304.40 275.44 o
2 7 11 1737.54 1665.84 99.03 o
4 7 11 2222.71 2209.56 118.70 o
6 7 11 4795.39 4668.94 153.77 o
-7 8 11 5172.89 5274.37 171.09 o
-5 8 11 2490.30 2386.36 128.45 o
-3 8 11 8000.56 7993.66 190.09 o
-1 8 11 11940.70 11633.40 259.58 o
1 8 11 12497.48 11722.30 267.55 o
3 8 11 8122.15 8131.67 201.03 o
5 8 11 2489.24 2377.20 132.21 o
7 8 11 4914.15 4638.03 164.30 o
-8 9 11 1591.05 1646.15 154.83 o
-6 9 11 12440.17 12721.77 256.08 o
-4 9 11 1600.96 1440.11 121.63 o
-2 9 11 24395.39 24459.22 420.65 o
0 9 11 552.99 496.65 135.67 o
2 9 11 24209.45 24020.46 418.28 o
4 9 11 1547.52 1394.18 113.10 o
6 9 11 11907.58 11307.53 258.78 o
8 9 11 1596.32 1584.08 150.57 o
-9 10 11 5837.17 6230.05 246.77 o
-7 10 11 5792.53 6011.76 276.37 o
-5 10 11 8497.95 8426.97 273.84 o
-3 10 11 2119.01 2209.82 172.13 o
-1 10 11 6453.65 6569.75 219.19 o
1 10 11 6494.38 6263.18 215.40 o
3 10 11 2501.08 2121.20 166.43 o
5 10 11 9389.61 9242.97 223.58 o
7 10 11 5132.63 5306.53 198.36 o
9 10 11 5298.66 5332.33 230.03 o
-10 11 11 2869.35 2358.53 361.40 o
-6 11 11 11549.63 12216.66 402.40 o
-2 11 11 11114.04 11090.47 414.06 o
2 11 11 11805.25 12384.06 418.72 o
6 11 11 12199.65 12223.85 425.31 o
10 11 11 3226.57 2630.72 376.92 o
0 0 12 27296.62 28554.07 750.68 o
-2 2 12 46965.84 47656.47 825.16 o
0 2 12 35885.16 36156.81 453.42 o
2 2 12 49563.49 49862.84 828.83 o
-1 3 12 7536.32 7542.00 156.96 o
1 3 12 7265.13 7317.59 173.08 o
-4 4 12 53074.13 54228.30 946.00 o
-2 4 12 291.68 149.50 92.83 o
0 4 12 16839.83 16589.50 258.93 o
2 4 12 270.43 221.54 88.64 o
4 4 12 48808.80 49941.30 877.29 o
-3 5 12 8401.46 8162.05 187.24 o
-1 5 12 4139.48 4230.92 180.32 o
1 5 12 4005.48 4055.15 132.38 o
3 5 12 8395.09 8216.68 182.12 o
-6 6 12 18088.17 18100.69 445.96 o
-4 6 12 115.77 11.06 102.34 o
-2 6 12 13368.96 13567.74 241.71 o
0 6 12 13862.89 14171.60 267.33 o
2 6 12 11949.32 12225.46 235.25 o
4 6 12 122.40 69.90 102.28 o
6 6 12 18783.41 18187.95 456.00 o
-5 7 12 6215.95 5654.57 175.27 o
-3 7 12 3114.90 3207.22 135.17 o
-1 7 12 8056.25 8044.38 229.47 o
1 7 12 8024.93 8113.86 226.09 o
3 7 12 2810.85 2813.50 145.28 o
5 7 12 6798.68 6773.32 181.77 o
-8 8 12 15473.07 15279.90 433.06 o
-6 8 12 10070.29 9980.04 265.26 o
-4 8 12 13272.26 12540.53 270.64 o
-2 8 12 14948.71 14893.33 325.90 o
0 8 12 2233.98 2402.71 166.04 o
2 8 12 15543.63 15484.47 332.08 o
4 8 12 14396.89 14283.47 331.83 o
6 8 12 9977.73 10574.92 263.30 o
8 8 12 16296.32 15596.77 436.86 o
-7 9 12 2034.86 1906.69 184.32 o
-5 9 12 3380.43 2978.95 161.83 o
-3 9 12 10596.43 10738.99 251.48 o
-1 9 12 6169.74 6180.73 226.03 o
1 9 12 6109.28 6099.48 226.29 o
3 9 12 10099.04 9858.36 305.62 o
5 9 12 3438.25 3151.07 156.81 o
7 9 12 2039.57 2089.95 164.09 o
-10 10 12 4895.15 5535.32 396.03 o
-8 10 12 5021.95 4931.45 221.16 o
-6 10 12 182.88 111.35 149.73 o
-4 10 12 71.48 5.80 139.85 o
-2 10 12 5149.74 5103.97 228.92 o
0 10 12 12708.58 13063.23 367.20 o
2 10 12 5149.95 5390.04 227.97 o
4 10 12 81.89 49.71 170.77 o
6 10 12 77.71 9.71 143.97 o
8 10 12 4795.38 4992.98 236.15 o
10 10 12 5018.24 5289.79 378.11 o
-9 11 12 6.39 28.61 220.30 o
-7 11 12 2435.77 2347.61 200.22 o
-5 11 12 1723.05 1775.96 217.00 o
-3 11 12 4320.31 4349.05 230.79 o
-1 11 12 6290.62 6670.52 253.67 o
1 11 12 5892.35 5690.65 247.69 o
3 11 12 4296.15 3973.26 228.45 o
5 11 12 1733.80 1888.45 218.59 o
7 11 12 2515.25 2393.07 194.02 o
9 11 12 0.40 175.56 220.42 o
-8 12 12 8909.03 9263.61 442.34 o
-4 12 12 18019.65 18735.60 616.36 o
0 12 12 704.16 862.87 293.62 o
4 12 12 16460.77 16659.22 596.02 o
8 12 12 9559.63 9798.26 599.68 o
0 1 13 4206.59 3970.65 139.78 o
-1 2 13 1893.28 1817.47 111.05 o
1 2 13 1493.78 1437.68 109.52 o
-2 3 13 3831.78 3683.43 135.62 o
0 3 13 4616.05 4570.47 164.65 o
2 3 13 3959.53 3985.41 135.24 o
-3 4 13 1926.07 1705.09 116.71 o
-1 4 13 17849.93 17694.13 295.96 o
1 4 13 17922.25 17509.97 269.61 o
3 4 13 1875.63 1880.31 126.54 o
-4 5 13 7528.55 7804.93 244.55 o
-2 5 13 18459.89 18980.74 315.65 o
0 5 13 8608.77 8622.40 202.99 o
2 5 13 19190.27 19127.58 303.17 o
4 5 13 7534.18 7733.27 191.50 o
-5 6 13 20028.83 20235.69 344.10 o
-3 6 13 2840.23 2726.65 141.85 o
-1 6 13 2754.76 2494.28 134.21 o
1 6 13 2256.00 2094.64 130.40 o
3 6 13 2873.31 2766.36 137.09 o
5 6 13 20240.17 20901.20 334.84 o
-6 7 13 8061.56 8048.36 215.62 o
-4 7 13 1297.99 1217.39 134.00 o
-2 7 13 9792.29 9614.76 252.09 o
0 7 13 1887.58 1766.50 142.50 o
2 7 13 9713.26 9728.08 230.65 o
4 7 13 1222.06 899.13 128.21 o
6 7 13 7720.03 7633.66 221.92 o
-7 8 13 303.60 166.80 151.34 o
-5 8 13 6417.83 6228.75 206.06 o
-3 8 13 1882.88 1672.60 135.00 o
-1 8 13 4059.76 3739.21 220.64 o
1 8 13 4372.00 4312.99 170.61 o
3 8 13 1910.71 1759.49 153.27 o
5 8 13 6386.02 6438.75 196.17 o
7 8 13 370.53 247.49 149.58 o
-8 9 13 2331.70 2552.75 241.48 o
-6 9 13 2564.83 2721.40 179.92 o
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