#------------------------------------------------------------------------------
#$Date: 2016-04-07 01:51:47 +0300 (Thu, 07 Apr 2016) $
#$Revision: 181929 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/4/11/19/4111935.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4111935
loop_
_publ_author_name
'J\"urgen K\"ohler'
'Holger Friedrich'
'Myung-Hwan Whangbo'
'Antoine Villesuzanne'
_publ_contact_author
;
        Juergen Koehler
        Max-Planck-Institut fuer Festkoerperforschung
        Heisenbergstrasse 1
        70569 Stuttgart
        Bundesrepublik Deutschland
;
_publ_contact_author_email       J.KOEHLER@FKF.MPG.de
_publ_contact_author_fax         '049 711 689-1091'
_publ_contact_author_phone       '049 711 689-1647'
_publ_section_title
;
Synthesis and Characterization of [PtIn6](GeO4)2O and Its Solid Solution
[PtIn6](GaO4)2-x(GeO4)xOx/2 (0 <=x<= 2): Gradual Color Change of the
Solid Solution from Black (x= 0) to Yellow (x= 2) as a Consequence of
Quantum Dot Effect
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12990
_journal_page_last               12996
_journal_volume                  127
_journal_year                    2005
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.0600
_cell_length_b                   10.0600
_cell_length_c                   10.0600
_exptl_crystal_F_000             2032.00
_reflns_d_resolution_high        0.7043
_cod_data_source_file            ja053280xsi20050722_043857.hkl
_cod_data_source_block           test0
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' test2 in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1282.40
_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, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
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 1 21117.32 23687.41 1246.73 o
0 0 2 137855.48 151972.16 1923.29 o
0 2 2 46448.96 51933.43 845.48 o
2 2 2 771383.25 770889.31 31833.63 o
1 1 3 109197.59 116085.79 834.87 o
1 3 3 57572.39 54920.60 467.08 o
3 3 3 253316.45 245999.91 4510.17 o
0 0 4 1545135.38 1493420.75 46213.36 o
0 2 4 159164.53 162797.48 1431.21 o
2 2 4 23659.71 22920.19 349.86 o
0 4 4 1644561.00 1529889.13 40849.41 o
2 4 4 78210.23 74731.44 688.51 o
4 4 4 999113.81 978165.31 31310.51 o
1 1 5 8929.94 8282.70 309.11 o
1 3 5 24856.10 23908.72 229.59 o
3 3 5 47910.62 46524.27 422.02 o
1 5 5 1291.17 1565.99 330.30 o
3 5 5 7630.05 7452.52 313.98 o
5 5 5 993.43 1031.60 488.69 o
0 0 6 188732.03 180724.95 2339.46 o
0 2 6 21400.50 20300.49 302.14 o
2 2 6 396606.63 392929.97 4844.74 o
0 4 6 52004.57 52276.16 588.51 o
2 4 6 29936.93 29411.68 309.27 o
4 4 6 94304.97 92042.55 1072.02 o
0 6 6 45014.25 44988.48 1187.79 o
2 6 6 268562.47 267460.78 4683.65 o
4 6 6 12319.63 12830.47 289.02 o
6 6 6 147126.38 152478.98 3534.69 o
1 1 7 53895.81 52983.86 509.95 o
1 3 7 130910.98 128770.77 1178.81 o
3 3 7 78911.85 78200.66 977.45 o
1 5 7 34563.55 34343.18 375.53 o
3 5 7 51979.80 50979.26 549.29 o
5 5 7 15583.61 15258.33 289.81 o
1 7 7 72521.75 72732.91 1422.94 o
3 7 7 153911.63 157125.92 2584.92 o
5 7 7 56080.06 56191.23 861.82 o
7 7 7 81291.04 83893.41 2953.94 o
0 0 8 959977.31 944946.13 29745.91 o
0 2 8 52267.55 51757.89 599.64 o
2 2 8 14005.41 13646.31 308.19 o
0 4 8 712406.06 702112.44 9531.68 o
2 4 8 48764.30 47608.04 498.58 o
4 4 8 651342.31 647821.19 10269.88 o
0 6 8 54762.24 54479.70 983.30 o
2 6 8 11656.49 13335.78 304.83 o
4 6 8 34416.16 34411.10 448.17 o
6 6 8 14831.93 15538.69 422.67 o
0 8 8 470686.16 472604.59 13788.72 o
2 8 8 26982.29 27075.65 501.57 o
4 8 8 400713.44 408976.28 7894.73 o
6 8 8 26442.96 26528.86 775.81 o
8 8 8 281054.44 287268.19 9729.96 o
1 1 9 2767.26 2956.64 286.72 o
1 3 9 4089.30 4000.74 192.53 o
3 3 9 25422.75 25029.41 498.61 o
1 5 9 604.87 1236.13 232.21 o
3 5 9 1772.93 1941.31 230.79 o
5 5 9 2524.34 2811.79 318.07 o
1 7 9 17317.78 17884.95 322.05 o
3 7 9 15404.65 15914.49 274.61 o
5 7 9 5040.71 5823.94 277.22 o
7 7 9 35513.89 35918.53 895.08 o
1 9 9 2359.26 2349.71 389.11 o
3 9 9 554.81 534.44 361.35 o
5 9 9 4353.31 4461.77 442.59 o
0 0 10 36965.20 37983.07 1239.68 o
0 2 10 29242.30 29654.85 550.99 o
2 2 10 175872.44 180105.30 2480.86 o
0 4 10 80667.73 82133.03 1227.75 o
2 4 10 15693.06 16054.75 257.57 o
4 4 10 33702.70 33918.41 640.90 o
0 6 10 10858.23 11538.40 326.87 o
2 6 10 113509.87 115445.85 1643.68 o
4 6 10 26719.00 27867.72 418.15 o
6 6 10 107792.94 109499.55 2675.50 o
0 8 10 30608.98 30387.14 528.50 o
2 8 10 12405.95 12444.63 282.63 o
4 8 10 36072.00 36602.95 603.91 o
6 8 10 8572.71 7147.82 341.82 o
0 10 10 28966.92 26370.90 1167.74 o
2 10 10 74972.70 69135.95 8985.38 o
1 1 11 60065.55 61975.93 927.15 o
1 3 11 61507.63 62148.53 773.88 o
3 3 11 106683.49 107061.69 2018.21 o
1 5 11 31781.00 32166.27 417.79 o
3 5 11 43876.17 44737.70 564.46 o
5 5 11 17235.76 16556.91 456.77 o
1 7 11 79672.44 78959.34 1206.90 o
3 7 11 72721.22 73848.96 1136.00 o
5 7 11 47250.09 45222.52 864.36 o
1 9 11 12847.92 12812.29 562.78 o
0 0 12 422516.94 436444.09 12840.31 o
0 2 12 22694.37 23695.87 518.04 o
2 2 12 4936.37 4227.11 365.14 o
0 4 12 343522.38 353809.09 6903.95 o
2 4 12 21406.23 21807.65 404.85 o
4 4 12 325233.31 342599.53 8806.49 o
0 6 12 24691.99 25611.37 617.57 o
2 6 12 4645.37 4855.56 307.40 o
4 6 12 17515.45 16079.13 358.53 o
1 1 13 601.11 254.92 354.83 o
1 3 13 3946.89 3854.59 309.91 o
3 3 13 1643.04 1491.86 429.46 o
1 5 13 1133.16 755.06 294.27 o
3 5 13 416.50 1260.06 583.19 o
0 0 14 59467.18 58083.94 3076.12 o
0 2 14 14471.66 12678.71 446.64 o
2 2 14 66993.91 59305.71 1909.00 o