#------------------------------------------------------------------------------
#$Date: 2011-09-28 14:24:46 +0000 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://cod.ibt.lt/cod/hkl/2/01/43/2014365.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_2014365_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                   11.9018
_cell_length_b                   11.9018
_cell_length_c                   11.9018
_exptl_crystal_F_000             1880.00
_reflns_d_resolution_high        0.6089
_[local]_cod_data_source_file    iz1066IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' zoya33 in I-43d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            636.46
_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 12924.02 13171.37 518.99 o
1 1 2 16336.12 15957.97 330.11 o
0 2 2 22818.62 23349.96 272.02 o
0 1 3 20848.03 20822.95 180.32 o
-1 2 3 207496.33 201922.34 1769.49 o
1 2 3 202991.00 202146.59 1828.63 o
-2 3 3 52682.75 56586.32 703.04 o
2 3 3 48970.28 53803.80 727.79 o
0 0 4 111333.70 109832.27 1836.71 o
-2 2 4 39590.75 38581.85 586.78 o
0 2 4 75427.02 74365.95 632.49 o
2 2 4 43593.16 42720.02 542.54 o
-1 3 4 6456.86 6174.45 70.61 o
1 3 4 4983.78 4980.80 88.74 o
-4 4 4 405085.66 389308.13 8267.40 o
0 4 4 25979.01 24737.40 335.55 o
4 4 4 401472.56 397707.09 9234.37 o
0 1 5 8299.69 9586.87 84.66 o
-1 2 5 85303.78 84652.68 709.00 o
1 2 5 87487.70 87627.63 757.56 o
-2 3 5 8554.80 8165.77 82.63 o
0 3 5 22575.44 22505.85 200.73 o
-3 4 5 27426.90 27825.42 246.62 o
-1 4 5 13584.73 13418.76 134.17 o
1 4 5 10765.82 11024.55 261.30 o
3 4 5 27311.45 27698.59 304.22 o
-2 5 5 7596.63 7601.91 119.45 o
2 5 5 9507.05 9342.05 184.18 o
-1 1 6 42462.75 42163.34 884.07 o
1 1 6 33375.21 35873.07 1970.80 o
0 2 6 40040.20 40700.12 350.87 o
-1 3 6 84237.11 84747.82 701.60 o
1 3 6 81401.04 82027.23 763.00 o
3 3 6 2156.19 2085.30 49.18 o
-2 4 6 48414.88 49094.20 451.20 o
0 4 6 93281.09 95442.54 871.42 o
2 4 6 43533.27 44507.39 459.09 o
-5 5 6 493.39 523.68 22.83 o
-3 5 6 4955.18 4955.64 58.57 o
-1 5 6 89354.66 89641.77 806.36 o
1 5 6 92220.80 93608.59 888.43 o
3 5 6 6630.95 6278.09 118.74 o
5 5 6 952.14 883.40 42.55 o
-4 6 6 2504.20 2597.04 51.26 o
0 6 6 491.75 572.66 27.33 o
0 1 7 23312.05 23087.88 210.56 o
-1 2 7 3900.68 3895.27 45.94 o
1 2 7 2707.53 2791.26 52.30 o
-2 3 7 37082.30 37149.14 342.33 o
0 3 7 4191.16 4117.51 50.22 o
2 3 7 39356.67 39469.60 371.08 o
-3 4 7 19581.04 19767.68 187.84 o
-1 4 7 11893.96 12001.10 107.69 o
1 4 7 11833.07 11807.18 133.36 o
3 4 7 16651.19 16850.74 220.91 o
-4 5 7 31217.81 31548.35 294.91 o
-2 5 7 65828.88 66360.07 616.11 o
0 5 7 27356.86 27493.77 271.15 o
2 5 7 66359.01 67551.07 669.26 o
4 5 7 32273.02 32427.32 373.12 o
-5 6 7 34682.52 35495.91 337.50 o
-3 6 7 24766.44 24987.22 257.08 o
-1 6 7 4440.89 4480.92 55.34 o
3 6 7 25797.86 25850.80 309.70 o
5 6 7 32201.62 32566.01 413.44 o
-6 7 7 3162.83 3051.28 76.31 o
-2 7 7 3097.07 3190.32 65.45 o
2 7 7 2692.99 2709.19 78.81 o
6 7 7 4392.97 4014.52 102.09 o
0 0 8 267049.94 264014.63 4701.48 o
-2 2 8 95797.76 96201.94 1275.23 o
0 2 8 28.05 54.30 12.80 o
2 2 8 105774.98 106095.99 1385.70 o
-1 3 8 8808.08 8757.63 87.83 o
1 3 8 8926.88 8934.83 97.27 o
-4 4 8 11133.37 10931.80 187.33 o
-2 4 8 43682.75 43975.69 414.72 o
0 4 8 6652.93 6737.44 79.56 o
2 4 8 47770.08 47498.04 482.08 o
4 4 8 12683.88 12769.42 228.12 o
-3 5 8 11848.87 12011.10 136.49 o
-1 5 8 3290.11 3211.21 46.16 o
1 5 8 4525.13 4354.89 75.17 o
3 5 8 11777.09 11804.31 153.27 o
-6 6 8 8723.10 8784.87 170.36 o
-4 6 8 26525.99 26627.66 293.85 o
-2 6 8 38773.30 39551.53 411.28 o
0 6 8 3.49 19.95 17.15 o
2 6 8 32926.36 33783.36 507.52 o
4 6 8 25874.33 25643.19 312.70 o
6 6 8 11349.17 11106.48 288.20 o
-5 7 8 8069.92 8396.92 119.74 o
-3 7 8 4834.31 4720.66 76.61 o
-1 7 8 7485.83 7634.32 92.05 o
1 7 8 7676.53 7812.44 108.97 o
3 7 8 6026.04 5876.14 85.13 o
5 7 8 6936.09 6987.53 114.26 o
-8 8 8 38879.10 40496.29 1348.12 o
-4 8 8 2241.02 2181.94 62.87 o
0 8 8 111872.48 112443.55 1790.61 o
8 8 8 35902.81 37082.84 1122.16 o
0 1 9 15905.97 16142.04 158.94 o
-1 2 9 3035.38 3028.57 50.99 o
1 2 9 2057.77 2100.20 41.66 o
-2 3 9 35963.63 36795.51 364.93 o
0 3 9 28395.46 29057.50 293.32 o
2 3 9 35834.46 36323.07 382.44 o
-3 4 9 13782.67 14014.72 160.40 o
-1 4 9 14973.86 15006.43 156.86 o
1 4 9 15046.06 15071.87 168.06 o
3 4 9 12515.54 12717.21 169.55 o
-4 5 9 2520.30 2477.31 51.09 o
-2 5 9 7343.45 7268.01 92.82 o
0 5 9 7181.64 7275.56 93.97 o
2 5 9 7034.15 6884.76 101.08 o
4 5 9 3058.32 3038.97 59.96 o
-5 6 9 4933.57 4817.59 77.69 o
-3 6 9 31108.55 31356.67 335.61 o
-1 6 9 5597.02 5396.87 76.67 o
1 6 9 3941.15 3853.73 87.48 o
3 6 9 28142.19 28321.19 364.52 o
5 6 9 4750.93 4605.69 81.28 o
-6 7 9 3650.17 3549.07 86.13 o
-4 7 9 13965.69 14181.43 196.94 o
-2 7 9 3158.42 3046.29 77.07 o
0 7 9 11691.50 11514.34 143.93 o
2 7 9 2104.64 2081.21 54.36 o
4 7 9 14011.95 14103.33 183.76 o
6 7 9 5042.50 4840.98 81.31 o
-7 8 9 6088.89 6170.36 110.61 o
-5 8 9 2417.87 2418.65 55.34 o
-3 8 9 13493.49 13363.14 205.69 o
-1 8 9 9020.76 9041.94 121.72 o
1 8 9 9092.09 8944.41 126.17 o
3 8 9 15331.90 15137.08 187.56 o
5 8 9 1949.31 1919.09 55.58 o
7 8 9 5980.77 5859.68 104.65 o
-6 9 9 3094.23 2909.55 133.91 o
-2 9 9 4945.72 5146.81 118.64 o
2 9 9 4003.92 3977.54 111.82 o
6 9 9 4001.96 3790.18 114.28 o
-1 1 10 30044.18 29737.79 479.81 o
1 1 10 23959.90 24798.35 1010.59 o
0 2 10 1579.08 1500.21 36.99 o
-3 3 10 9468.36 9475.53 185.22 o
-1 3 10 33218.52 33175.79 333.99 o
1 3 10 29293.59 29515.80 357.20 o
3 3 10 6639.39 7020.30 351.33 o
-2 4 10 3520.31 3393.12 53.72 o
0 4 10 14970.53 14924.91 181.88 o
2 4 10 5303.52 4604.23 280.95 o
-5 5 10 3432.88 3372.68 108.05 o
-3 5 10 12232.39 12316.50 181.23 o
-1 5 10 18862.43 19045.71 241.23 o
1 5 10 21301.67 21031.25 252.71 o
3 5 10 15379.64 15283.90 233.45 o
5 5 10 3705.63 3561.77 97.68 o
-4 6 10 32651.24 33034.96 411.09 o
-2 6 10 520.29 520.37 33.57 o
0 6 10 27721.41 27863.53 323.29 o
2 6 10 520.29 530.80 32.75 o
4 6 10 32153.06 32591.91 401.37 o
-7 7 10 2614.92 2783.87 114.04 o
-5 7 10 24552.09 24952.08 337.91 o
-3 7 10 12169.45 12012.40 184.42 o
-1 7 10 2223.42 2153.54 49.60 o
3 7 10 12885.49 12734.01 171.15 o
5 7 10 22192.49 22448.78 289.92 o
7 7 10 2301.18 2272.08 89.79 o
-6 8 10 15079.77 15419.16 244.05 o
-4 8 10 10539.53 10671.49 174.48 o
-2 8 10 3292.18 3208.11 81.71 o
0 8 10 152.39 170.28 29.26 o
2 8 10 4583.80 4469.71 78.66 o
4 8 10 10395.01 10185.94 150.92 o
6 8 10 14417.78 14420.94 198.44 o
-9 9 10 1647.77 1721.60 109.85 o
-7 9 10 4900.94 4979.60 110.53 o
-5 9 10 2286.04 2254.05 69.38 o
-3 9 10 13669.01 13572.02 216.43 o
-1 9 10 2276.09 2185.98 86.84 o
1 9 10 1251.91 1251.84 46.15 o
3 9 10 12250.96 12044.60 187.26 o
5 9 10 2370.91 2357.07 65.76 o
7 9 10 6290.28 6201.81 111.18 o
9 9 10 1870.75 1743.77 94.90 o
-8 10 10 2150.29 2211.25 117.45 o
-4 10 10 8761.26 8580.33 245.03 o
0 10 10 13350.06 13220.97 282.03 o
4 10 10 9054.18 8994.07 202.19 o
8 10 10 2571.57 2597.21 117.16 o
0 1 11 18232.21 18380.27 214.77 o
-1 2 11 17276.89 17370.96 210.25 o
1 2 11 16319.45 16332.33 215.85 o
-2 3 11 3472.16 3397.15 64.24 o
0 3 11 11233.48 11037.24 146.81 o
2 3 11 4444.03 4355.12 75.67 o
-3 4 11 7968.37 8010.23 113.82 o
-1 4 11 5519.43 5524.02 93.46 o
1 4 11 4893.35 4954.39 88.81 o
3 4 11 7725.12 7657.99 121.58 o
-4 5 11 12009.49 11798.82 179.91 o
-2 5 11 2298.43 2168.30 55.43 o
0 5 11 7681.21 7643.18 114.83 o
2 5 11 3748.86 3542.13 315.81 o
4 5 11 12337.82 12201.13 172.73 o
-5 6 11 3958.07 3727.43 97.06 o
-3 6 11 3843.16 3757.20 78.57 o
-1 6 11 9780.76 9626.40 142.04 o
1 6 11 9089.78 8914.64 143.19 o
3 6 11 3282.25 3249.45 73.68 o
5 6 11 5000.06 4796.41 88.10 o
-6 7 11 1027.03 1008.79 52.37 o
-4 7 11 1802.04 1868.58 63.55 o
-2 7 11 629.42 585.03 39.11 o
0 7 11 4415.07 4334.51 80.54 o
2 7 11 269.40 261.81 33.31 o
4 7 11 2174.10 2115.75 60.51 o
6 7 11 600.05 569.46 44.37 o
-7 8 11 1788.54 1890.01 80.16 o
-5 8 11 7884.87 7993.17 153.33 o
-3 8 11 5177.15 5164.94 107.04 o
-1 8 11 7596.28 7610.44 137.53 o
1 8 11 8435.72 8357.53 124.39 o
3 8 11 5402.81 5241.84 97.44 o
5 8 11 7752.65 7645.75 129.98 o
7 8 11 1549.89 1652.16 63.85 o
-8 9 11 3213.75 3148.57 108.63 o
-6 9 11 12950.65 13027.25 234.87 o
-4 9 11 4093.67 4236.83 99.36 o
-2 9 11 21486.62 21643.69 327.40 o
0 9 11 2187.94 2174.08 62.62 o
2 9 11 21230.86 21255.85 295.18 o
4 9 11 3805.16 3683.73 86.27 o
6 9 11 12178.67 12168.58 188.76 o
8 9 11 3374.97 3368.91 89.46 o
-9 10 11 7739.12 8016.85 227.68 o
-7 10 11 1522.78 1604.51 83.21 o
-5 10 11 3163.01 3057.39 107.48 o
-3 10 11 859.16 822.02 48.18 o
-1 10 11 5491.27 5442.45 107.99 o
1 10 11 4969.37 4800.21 102.74 o
3 10 11 988.09 973.48 52.80 o
5 10 11 4361.99 4197.72 94.38 o
7 10 11 1044.85 1018.17 61.00 o
9 10 11 6881.69 7146.75 149.30 o
-6 11 11 3218.47 3168.15 151.89 o
-2 11 11 5257.90 4956.38 186.03 o
2 11 11 6278.83 6162.66 175.51 o
6 11 11 3492.58 3593.18 139.86 o
10 11 11 3589.88 3533.45 166.06 o
0 0 12 215.04 194.27 57.49 o
-2 2 12 39479.84 40499.03 797.59 o
0 2 12 17595.58 17596.11 241.32 o
2 2 12 44994.09 45501.47 805.34 o
-1 3 12 2112.98 2063.55 54.81 o
1 3 12 1580.81 1522.58 49.52 o
-4 4 12 57168.73 57222.08 1002.04 o
-2 4 12 474.90 397.48 32.75 o
0 4 12 228.87 287.88 34.26 o
2 4 12 440.01 407.54 35.05 o
4 4 12 51476.43 51183.24 937.72 o
-3 5 12 5684.80 5680.88 109.43 o
-1 5 12 1200.89 1167.18 43.89 o
1 5 12 925.84 894.16 41.37 o
3 5 12 5619.38 5573.91 100.17 o
-6 6 12 13299.91 13180.13 403.31 o
-4 6 12 351.12 326.18 35.48 o
-2 6 12 24240.82 24383.84 330.02 o
0 6 12 7615.31 7341.61 118.63 o
2 6 12 20638.73 21057.49 294.71 o
4 6 12 436.04 430.19 39.23 o
6 6 12 15800.05 15782.51 301.76 o
-5 7 12 6389.53 6124.19 147.31 o
-3 7 12 1895.08 1845.57 62.94 o
-1 7 12 6654.19 6544.86 112.70 o
1 7 12 6628.90 6522.31 111.41 o
3 7 12 1505.97 1492.16 54.93 o
5 7 12 7152.03 6875.38 117.85 o
-8 8 12 6811.03 6880.93 264.07 o
-6 8 12 5159.26 5168.25 140.17 o
-4 8 12 3175.75 3027.65 89.20 o
-2 8 12 7678.13 7735.63 142.71 o
0 8 12 16.20 6.43 32.30 o
2 8 12 8339.16 8350.63 136.37 o
4 8 12 4355.44 4192.18 87.59 o
6 8 12 4937.36 4871.25 102.75 o
8 8 12 7772.24 7574.32 191.19 o
-7 9 12 4114.00 4297.77 133.17 o
-5 9 12 236.84 211.85 42.22 o
-3 9 12 8758.83 8857.74 169.91 o
-1 9 12 4205.86 4179.93 99.85 o
1 9 12 4064.26 3991.06 89.37 o
3 9 12 8125.08 8182.43 148.15 o
5 9 12 290.00 266.93 47.08 o
7 9 12 4197.95 4188.22 99.59 o
-8 10 12 2849.91 2833.52 122.49 o
-6 10 12 4311.47 4550.81 145.07 o
-4 10 12 52.75 65.76 49.15 o
-2 10 12 4607.86 4648.21 115.74 o
0 10 12 6891.66 6811.89 133.61 o
2 10 12 5570.40 5635.65 113.86 o
4 10 12 75.44 99.73 45.93 o
6 10 12 3467.66 3543.62 100.23 o
8 10 12 2450.86 2591.55 89.84 o
10 10 12 1518.10 1398.86 120.04 o
-9 11 12 1921.95 2067.22 227.43 o
-7 11 12 753.17 785.03 80.34 o
-5 11 12 4110.47 4187.01 126.60 o
-3 11 12 2789.87 2923.84 103.40 o
-1 11 12 5641.51 5695.36 126.87 o
1 11 12 5141.66 5248.90 119.12 o
3 11 12 2768.30 2751.07 86.85 o
5 11 12 4186.18 4171.16 107.17 o
7 11 12 856.85 858.25 66.30 o
9 11 12 1789.34 1896.52 88.51 o
-8 12 12 6604.47 6807.89 469.20 o
-4 12 12 11858.77 12167.10 345.15 o
0 12 12 350.22 402.82 68.70 o
4 12 12 9860.57 10209.02 283.07 o
8 12 12 7676.68 8123.34 248.41 o
0 1 13 11524.76 11469.97 176.00 o
-1 2 13 3921.55 3751.21 83.56 o
1 2 13 3670.78 3593.29 76.88 o
-2 3 13 249.72 293.02 35.13 o
0 3 13 8407.67 8398.71 134.90 o
2 3 13 793.18 747.20 42.78 o
-3 4 13 5331.62 5212.83 98.57 o
-1 4 13 10096.69 9965.06 159.74 o
1 4 13 10204.85 10063.89 155.40 o
3 4 13 5226.55 5153.77 100.22 o
-4 5 13 4590.16 4626.61 110.97 o
-2 5 13 4899.47 4812.34 106.80 o
0 5 13 6015.44 6100.48 106.21 o
2 5 13 5939.44 5866.40 103.68 o
4 5 13 4730.63 4695.15 94.24 o
-5 6 13 5209.16 5056.66 126.34 o
-3 6 13 436.69 421.98 45.74 o
-1 6 13 2084.28 2106.75 60.01 o
1 6 13 1756.03 1758.11 60.41 o
3 6 13 866.33 826.18 47.33 o
5 6 13 5100.00 5102.02 104.82 o
-6 7 13 8355.74 8319.83 183.84 o
-4 7 13 3793.47 3732.41 100.62 o
-2 7 13 10983.81 11047.43 189.42 o
0 7 13 2884.19 2876.02 76.52 o
2 7 13 10627.13 10636.12 170.73 o
4 7 13 4022.51 3979.88 89.25 o
6 7 13 8061.40 8154.51 141.18 o
-7 8 13 2086.42 2156.19 100.03 o
-5 8 13 5089.09 5255.11 139.28 o
-3 8 13 5925.22 5968.00 134.62 o
-1 8 13 5878.88 6042.16 125.57 o
1 8 13 6482.06 6523.81 117.01 o
3 8 13 6040.24 5971.18 115.43 o
5 8 13 4885.50 4923.95 105.69 o
7 8 13 1859.09 1885.81 72.22 o
-8 9 13 1524.68 1542.56 99.77 o
-6 9 13 1149.61 1102.42 74.98 o
-4 9 13 1701.15 1707.57 72.53 o
-2 9 13 834.24 868.73 59.75 o
0 9 13 309.65 324.43 41.68 o
2 9 13 665.02 666.83 49.55 o
4 9 13 1490.09 1491.70 66.15 o
6 9 13 796.44 788.42 58.37 o
8 9 13 1688.19 1670.46 76.13 o
-9 10 13 1942.25 1930.55 130.34 o
-7 10 13 4069.92 4240.36 157.97 o
-5 10 13 1150.58 1202.65 93.92 o
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