#------------------------------------------------------------------------------
#$Date: 2011-03-31 14:48:06 +0300 (Thu, 31 Mar 2011) $
#$Revision: 17004 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2003245.cif $
#------------------------------------------------------------------------------
#
# 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_2003245
_publ_section_title
;
Co~10~Ge~3~O~16~
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              343
_journal_page_last               345
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
; Crystals of the title compound were prepared by melting a pre-reacted
 stoichiometric powder mixture in sealed Pt tube, which was then
cooled from 1723 to 1523 K at 15 K h^-1^.
;
_chemical_formula_sum            'Co10 Ge3 O16'
_chemical_formula_weight         1063.07
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_type_scat_source           IntTabC
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.951(1)
_cell_length_b                   5.951(1)
_cell_length_c                   28.875(6)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      14.90
_cell_measurement_theta_min      7.39
_cell_volume                     885.59
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.5608
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            2187
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  ?
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.04
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    5.98
_exptl_crystal_density_meas      ?
_exptl_crystal_description       '(001) plate'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_exptl_crystal_size_rad          ?
_exptl_crystal_thermal_history   'cooled from 1723 to 1523 K at 15 K h^-1^'
_refine_diff_density_max         2.1
_refine_diff_density_min         -1.6
_refine_ls_extinction_coef       '\c = 0.0056(3)'
_refine_ls_extinction_method     '[1+0.001\cF~c~^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_goodness_of_fit_obs   0.820
_refine_ls_hydrogen_treatment    ?
_refine_ls_number_parameters     37
_refine_ls_number_reflns         1045
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'w = 1/[\s^2^(F~o~^2^)+(0.0283P)^2^] where P = ['
_refine_ls_wR_factor_obs         0.069
_reflns_number_observed          1045
_reflns_number_total             1045
_reflns_observed_criterion       'All reflections used'
_[local]_cod_cif_authors_sg_H-M  'R -3 m '
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2003245
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
y,y-x,-z
-y,-y+x,+z
x-y,x,-z
-x+y,-x,+z
-y,-x,z
+y,+x,-z
y-x,y,z
-y+x,-y,-z
x,x-y,z
-x,-x+y,-z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ge1 .00000 .00000 .00000 .00461(13)
Ge2 .00000 .00000 .18922(2) .00471(11)
Co1 .00000 .00000 .50000 .00609(17)
Co2 .50000 .00000 .00000 .00571(10)
Co3 .16336(4) .83664(4) .08551(2) .00559(8)
O1 .00000 .00000 .12779(13) .0068(7)
O2 .00000 .00000 .37613(14) .0058(6)
O3 .2990(6) .1495(3) .03787(8) .0069(4)
O4 .5026(2) 1.0053(4) .12507(8) .0062(3)