The incommensurate structure of K~3~In(PO~4~)~2~
Arakcheeva, Alla; Chapuis, Gervais; Petříček, Vaclav; Dušek, Michal; Schönleber, Andreas; Acta Crystallographica Section B 59 (2003) 17–27; doi:10.1107/S0108768102021195

data_2103857
_publ_section_title
;
 The incommensurate structure of K~3~In(PO~4~)~2~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              17
_journal_page_last               27
_journal_paper_doi               10.1107/S0108768102021195
_journal_volume                  59
_journal_year                    2003
_chemical_formula_sum            'In K3 O8 P2'
_chemical_formula_weight         422.1
_chemical_melting_point          'higher than 1523 K'
_chemical_name_common            'Potassium indium double phosphate'
_chemical_name_systematic        ' ?'
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.124(5)
_cell_formula_units_Z            8
_cell_length_a                   15.6537(5)
_cell_length_b                   9.7357(4)
_cell_length_c                   11.1975(4)
_cell_measurement_reflns_used    12370
_cell_measurement_temperature    293
_cell_measurement_theta_max      51.83
_cell_measurement_theta_min      3.01
_cell_volume                     1706.49(11)
_computing_cell_refinement
; CRYSALIS DATA REDUCTION (KM4 Software, Version 1.164
(release 08.06.00 CrysAlis164))
;
_computing_data_collection
; Oxford Diffraction Ltd, 2001. CrysAlis Software System, Vertion 1.166.
Oxford. England.
;
_computing_data_reduction
; CRYSALIS DATA REDUCTION (KM4 Software, Version 1.164
(release 08.06.00 CrysAlis164))
;
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_solution
; Patterson function analysing
(Jana2000; Petricek and Dusek, 2000)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 118551
_diffrn_measured_fraction_theta_max 51.83
_diffrn_measurement_device_type  KM4
_diffrn_measurement_method       'CCD detector KM4CCD/SAPPHIRE'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1000
_diffrn_reflns_av_sigmaI/netI    0.1713
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            125808
_diffrn_reflns_reduction_process 118551
_diffrn_reflns_theta_max         51.83
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    4.622
_exptl_absorpt_correction_T_max  0.924
_exptl_absorpt_correction_T_min  0.832
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.2844(2)
_exptl_crystal_description       plate
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         4.16
_refine_diff_density_min         -3.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.03
_refine_ls_number_parameters     364
_refine_ls_number_reflns         11828
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0593
_reflns_number_gt                11828
_reflns_number_total             41649
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            sn0028.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'In1 K3 O8 P2'
_cod_database_code               2103857