#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2016017.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_2016017_Fobs
loop_
_publ_author_name
'Tsirlin, Alexander A.'
'Dikarev, Evgeny V.'
'Velikodny, Yuri A.'
'Shpanchenko, Roman V.'
'Antipov, Evgeny V.'
_publ_section_title
;
 Pb~2.63~Cd~2~V~3~O~12~, a cation-deficient garnet-type vanadate
;
_journal_coeditor_code           BC3044
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i40
_journal_page_last               i42
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   13.1857
_cell_length_b                   13.1857
_cell_length_c                   13.1857
_exptl_crystal_F_000             3810.00
_reflns_d_resolution_high        0.7513
_[local]_cod_data_source_file    bc3044Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' cubicI_corr in Ia-3d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1565.83
_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+3/4, x+1/4, -z+1/4'
'-y+3/4, -x+3/4, -z+3/4'
'y+1/4, -x+1/4, z+3/4'
'-y+1/4, x+3/4, z+1/4'
'x+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'
'z+3/4, y+1/4, -x+1/4'
'z+1/4, -y+1/4, x+3/4'
'-z+1/4, y+3/4, x+1/4'
'-z+3/4, -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+5/4, x+3/4, -z+3/4'
'-y+5/4, -x+5/4, -z+5/4'
'y+3/4, -x+3/4, z+5/4'
'-y+3/4, x+5/4, z+3/4'
'x+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'
'z+5/4, y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+5/4'
'-z+3/4, y+5/4, x+3/4'
'-z+5/4, -y+5/4, -x+5/4'
'-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-3/4, -x-1/4, z-1/4'
'y-3/4, x-3/4, z-3/4'
'-y-1/4, x-1/4, -z-3/4'
'y-1/4, -x-3/4, -z-1/4'
'-x-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'
'-z-3/4, -y-1/4, x-1/4'
'-z-1/4, y-1/4, -x-3/4'
'z-1/4, -y-3/4, -x-1/4'
'z-3/4, y-3/4, x-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'x+1/2, -y, z'
'-x, y, z+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'-z, x, y+1/2'
'z, x+1/2, -y'
'z+1/2, -x, y'
'-y+1/2, -z+1/2, -x+1/2'
'y+1/2, -z, x'
'-y, z, x+1/2'
'y, z+1/2, -x'
'-y-1/4, -x+1/4, z+1/4'
'y-1/4, x-1/4, z-1/4'
'-y+1/4, x+1/4, -z-1/4'
'y+1/4, -x-1/4, -z+1/4'
'-x-1/4, -z+1/4, y+1/4'
'x+1/4, -z-1/4, -y+1/4'
'x-1/4, z-1/4, y-1/4'
'-x+1/4, z+1/4, -y-1/4'
'-z-1/4, -y+1/4, x+1/4'
'-z+1/4, y+1/4, -x-1/4'
'z+1/4, -y-1/4, -x+1/4'
'z-1/4, y-1/4, x-1/4'
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 91292.55 97338.32 680.51 o
0 2 2 3235.26 3426.32 151.67 o
1 2 3 90891.99 87009.78 450.64 o
2 3 3 21108.21 21574.46 227.72 o
0 0 4 1547813.25 1603111.88 22391.57 o
0 2 4 1374251.38 1459911.63 10038.86 o
2 2 4 1098677.25 1127669.25 7422.92 o
1 3 4 13867.33 14070.60 154.26 o
0 4 4 4579.49 3584.62 229.37 o
4 4 4 930856.06 975951.56 11226.26 o
1 2 5 135301.53 135579.91 710.21 o
2 3 5 138502.84 142470.34 736.82 o
1 4 5 218.55 366.12 81.29 o
3 4 5 449.28 502.58 81.05 o
2 5 5 58394.53 56976.46 500.66 o
1 1 6 196016.80 196300.22 1423.49 o
0 2 6 20515.30 17935.60 221.49 o
1 3 6 59173.52 57940.62 355.42 o
3 3 6 111839.22 111291.46 847.30 o
0 4 6 895941.00 918516.19 6364.10 o
2 4 6 951759.06 968147.75 4668.68 o
1 5 6 64295.10 62350.36 405.59 o
3 5 6 25719.71 25850.07 221.78 o
5 5 6 49609.43 47768.84 490.87 o
0 6 6 1586.64 1958.34 248.09 o
4 6 6 542498.38 535830.44 3861.87 o
1 2 7 57865.31 57297.73 364.91 o
2 3 7 42757.05 41615.66 293.86 o
1 4 7 3299.30 4467.51 112.47 o
3 4 7 13.01 -25.57 112.45 o
2 5 7 21076.08 21427.63 211.35 o
4 5 7 3577.47 3608.73 147.04 o
1 6 7 17961.77 18860.47 210.23 o
3 6 7 41337.91 38946.57 319.56 o
5 6 7 51837.14 48771.05 400.66 o
2 7 7 42541.94 39815.47 472.71 o
6 7 7 15843.83 15528.01 386.24 o
0 0 8 2451833.50 2567295.75 35802.73 o
0 2 8 3793.10 4229.39 171.16 o
2 2 8 3552.77 4576.04 248.52 o
1 3 8 1016.49 1139.83 142.38 o
0 4 8 669658.50 661270.75 4635.59 o
2 4 8 586672.88 578036.75 3100.35 o
4 4 8 7878.98 8435.88 272.20 o
1 5 8 4850.76 4680.03 148.17 o
3 5 8 2179.57 2339.52 151.12 o
0 6 8 373.17 354.93 185.34 o
2 6 8 2544.17 3334.99 154.73 o
4 6 8 383406.31 374869.59 2160.14 o
6 6 8 2630.30 2918.57 296.24 o
1 7 8 525.79 909.62 147.04 o
3 7 8 412.63 639.00 161.35 o
5 7 8 1369.21 1430.76 185.33 o
0 8 8 1548259.75 1563558.88 16659.07 o
4 8 8 336954.81 332534.91 2902.42 o
8 8 8 768359.38 761614.38 15581.84 o
1 2 9 36802.93 36118.39 294.92 o
2 3 9 39405.54 37113.01 322.86 o
1 4 9 4691.98 4517.50 166.49 o
3 4 9 2138.05 2666.36 161.97 o
2 5 9 19432.23 20115.10 262.92 o
4 5 9 1392.69 1220.51 175.42 o
1 6 9 28138.87 27898.70 311.01 o
3 6 9 26741.52 26269.51 320.66 o
5 6 9 19387.14 20326.94 308.22 o
2 7 9 14305.73 15299.12 281.84 o
4 7 9 3947.75 4049.71 215.28 o
6 7 9 26964.91 26524.03 376.76 o
1 8 9 59.35 158.07 180.71 o
3 8 9 10.44 114.89 188.66 o
5 8 9 20.75 445.70 214.75 o
7 8 9 813.33 977.86 243.92 o
2 9 9 14525.83 14286.55 433.73 o
6 9 9 7255.86 7781.83 462.40 o
1 1 10 38146.93 36259.81 468.69 o
0 2 10 2510.26 3391.24 216.37 o
1 3 10 55662.17 53750.77 433.60 o
3 3 10 49097.39 48872.03 621.27 o
0 4 10 374574.03 365514.66 3072.66 o
2 4 10 429454.28 412941.03 2466.08 o
1 5 10 32243.35 31788.91 337.83 o
3 5 10 34328.15 34744.00 377.81 o
5 5 10 32416.01 32344.67 589.87 o
0 6 10 1163.53 1343.54 273.23 o
2 6 10 267.53 69.46 175.17 o
4 6 10 266513.22 268396.56 1736.79 o
1 7 10 42121.54 41022.76 415.82 o
3 7 10 26506.53 26914.04 372.12 o
5 7 10 16273.88 16706.54 339.74 o
7 7 10 17571.52 18982.36 520.75 o
0 8 10 469.83 1391.75 322.50 o
2 8 10 3553.09 4311.54 238.78 o
4 8 10 197796.39 200762.41 1467.34 o
6 8 10 3704.84 3780.64 280.36 o
1 9 10 15562.10 16218.54 341.55 o
3 9 10 19446.22 19036.82 367.50 o
5 9 10 15448.06 16719.74 387.93 o
7 9 10 9138.19 9374.04 360.35 o
9 9 10 4576.20 3865.13 511.94 o
0 10 10 21599.83 18155.79 955.99 o
4 10 10 161731.84 149616.00 2075.24 o
8 10 10 404.61 439.49 451.61 o
1 2 11 22406.42 21854.02 289.68 o
2 3 11 19777.84 19785.21 294.56 o
1 4 11 4405.90 3741.19 202.42 o
3 4 11 3.88 -178.92 178.92 o
2 5 11 8564.98 8995.42 253.33 o
4 5 11 367.67 626.16 206.64 o
1 6 11 14867.97 15347.83 280.96 o
3 6 11 26159.74 25278.15 357.79 o
5 6 11 16818.74 17714.59 336.72 o
2 7 11 13673.59 14347.35 315.72 o
4 7 11 626.50 844.99 234.24 o
6 7 11 8506.35 9184.05 326.68 o
1 8 11 607.23 1312.31 237.41 o
3 8 11 73.60 -15.84 231.63 o
5 8 11 2683.87 2428.08 290.98 o
7 8 11 290.00 416.72 283.54 o
2 9 11 9215.45 9351.30 354.97 o
4 9 11 108.76 182.22 263.93 o
6 9 11 1772.71 1657.08 320.83 o
8 9 11 40.56 189.09 318.96 o
1 10 11 14538.29 15549.85 459.87 o
3 10 11 5480.42 5270.46 351.50 o
5 10 11 7879.48 6880.28 392.18 o
7 10 11 6269.86 5531.64 372.83 o
9 10 11 8934.46 8569.31 1067.69 o
2 11 11 4641.69 4539.48 591.65 o
6 11 11 2269.30 2280.76 529.49 o
0 0 12 214149.80 213598.75 3631.45 o
0 2 12 299728.31 289967.44 2527.51 o
2 2 12 419569.44 406482.06 3676.38 o
1 3 12 31.76 143.66 199.04 o
0 4 12 2150.41 2420.80 298.66 o
2 4 12 2306.71 2037.52 227.81 o
4 4 12 173254.31 169242.59 1732.88 o
1 5 12 29.12 148.70 204.73 o
3 5 12 1486.44 1674.38 220.46 o
0 6 12 205724.95 208272.58 1911.84 o
2 6 12 214606.83 202314.27 1394.99 o
4 6 12 1597.43 2203.67 255.52 o
6 6 12 197931.61 187349.14 2328.22 o
1 7 12 322.16 259.08 234.21 o
3 7 12 1994.32 2412.32 264.25 o
5 7 12 197.11 1224.93 281.01 o
0 8 12 152051.25 154764.30 1665.06 o
2 8 12 168470.13 165500.78 1508.56 o
4 8 12 762.11 1299.04 282.37 o
6 8 12 123544.84 126117.59 1344.64 o
8 8 12 99985.78 97419.81 1844.29 o
1 9 12 324.96 474.23 287.92 o
3 9 12 292.33 115.94 285.60 o
5 9 12 278.95 66.44 309.14 o
7 9 12 400.03 618.07 352.79 o
0 10 12 106733.15 106343.03 2207.19 o
2 10 12 130725.64 142476.69 1752.33 o
4 10 12 460.13 500.18 339.85 o
6 10 12 121508.00 127359.49 1365.69 o
8 10 12 63370.60 69223.52 3269.36 o
1 11 12 224.06 -300.28 343.96 o
3 11 12 149.46 529.64 360.20 o
5 11 12 138.57 63.60 602.68 o
0 12 12 995.44 2271.19 1333.59 o
1 2 13 5788.71 6542.74 283.31 o
2 3 13 10191.44 10780.99 327.40 o
1 4 13 127.67 889.76 244.84 o
3 4 13 284.04 234.98 253.31 o
2 5 13 4284.23 3777.37 271.26 o
4 5 13 244.88 287.55 269.60 o
1 6 13 10317.95 10982.89 323.96 o
3 6 13 6650.31 7140.00 319.88 o
5 6 13 7136.39 6581.93 336.68 o
2 7 13 8463.72 9585.50 350.28 o
4 7 13 35.96 -101.97 277.39 o
6 7 13 5742.65 6090.20 355.03 o
1 8 13 53.22 160.95 283.21 o
3 8 13 2281.16 3145.40 313.60 o
5 8 13 217.93 343.52 306.20 o
7 8 13 12.19 101.91 413.42 o
2 9 13 4318.49 4432.10 349.42 o
4 9 13 111.07 417.99 328.90 o
6 9 13 3939.44 3669.34 531.40 o
1 10 13 5786.45 5957.01 422.43 o
3 10 13 6646.04 6514.98 427.39 o
5 10 13 8778.03 8196.81 853.44 o
2 11 13 3604.56 4214.00 780.61 o
4 11 13 455.73 1772.21 1132.52 o
1 1 14 19485.10 18853.26 521.43 o
0 2 14 2958.16 3087.32 371.59 o
1 3 14 30654.40 29565.20 444.11 o
3 3 14 25841.69 26170.31 632.13 o
0 4 14 123664.62 124881.23 1703.50 o
2 4 14 165477.83 161163.02 1262.90 o
1 5 14 16716.61 17105.15 397.51 o
3 5 14 22440.11 22689.91 441.06 o
5 5 14 8897.61 8948.48 613.53 o
0 6 14 2100.61 3499.01 438.13 o
2 6 14 9.81 115.33 291.85 o
4 6 14 117849.98 123671.07 1136.23 o
1 7 14 20572.30 21311.79 450.88 o
3 7 14 16292.46 16921.24 444.01 o
5 7 14 15389.63 15730.85 468.81 o
7 7 14 6693.03 6433.96 1094.19 o
0 8 14 28.76 384.37 429.88 o
2 8 14 1992.57 1806.40 343.26 o
4 8 14 75719.48 77336.90 920.39 o
6 8 14 3086.73 3635.70 630.37 o
1 9 14 14191.02 15869.82 493.98 o
3 9 14 4776.42 4893.56 534.16 o
5 9 14 9938.31 9769.21 829.18 o
0 10 14 4553.36 3728.04 1042.29 o
2 10 14 24.97 -397.11 679.11 o
1 2 15 8588.29 8032.30 339.82 o
2 3 15 6747.40 6715.24 347.40 o
1 4 15 382.01 497.80 300.08 o
3 4 15 664.94 579.69 303.75 o
2 5 15 3682.40 3483.78 329.50 o
4 5 15 414.99 413.60 317.54 o
1 6 15 2951.66 2245.94 334.77 o
3 6 15 4653.31 3937.08 359.43 o
5 6 15 3544.19 3318.63 525.49 o
2 7 15 1982.67 1443.96 371.18 o
4 7 15 11.56 198.35 546.31 o
1 8 15 58.96 251.40 483.34 o
3 8 15 923.47 880.59 780.74 o
0 0 16 429605.19 403963.31 7975.43 o
0 2 16 2272.97 2163.62 485.46 o
2 2 16 1701.89 1535.72 454.51 o
1 3 16 14.23 46.77 335.19 o
0 4 16 127324.54 128934.30 1678.93 o
2 4 16 103031.28 106143.38 1037.23 o
4 4 16 8381.02 9554.99 1018.49 o
1 5 16 8.48 759.20 410.09 o
3 5 16 918.55 844.73 510.66 o
0 6 16 2973.50 3161.56 1434.62 o
2 6 16 967.05 1469.94 791.43 o
4 6 16 74006.36 72902.81 2770.27 o
1 2 17 1633.69 -831.79 1041.36 o
2 3 17 1753.62 663.47 770.19 o
1 4 17 1118.23 186.26 1646.26 o