#------------------------------------------------------------------------------ #$Date: 2016-06-30 18:26:51 +0300 (Thu, 30 Jun 2016) $ #$Revision: 184080 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/10/01/1100110.cif $ #------------------------------------------------------------------------------ # # 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_1100110 loop_ _publ_author_name 'Chen, X.-L.' 'He, M.' 'Xu, Y.-P.' 'Li H.-Q.' 'Tu Q.-Y,' _publ_section_title ; KCaFCO~3~, from X-ray Powder Data ; _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i50 _journal_page_last i51 _journal_paper_doi 10.1107/S1600536804005069 _journal_volume 60 _journal_year 2004 _chemical_formula_iupac 'K Ca F (C O3)' _chemical_formula_moiety 'C Ca F K O3' _chemical_formula_structural 'Ca F K (CO3)' _chemical_formula_sum 'C Ca F K O3' _chemical_formula_weight 158.17 _chemical_melting_point 774.0 _chemical_name_systematic ; Potassium calcium flurine-carbonate ; _space_group_IT_number 187 _symmetry_cell_setting hexagonal _symmetry_Int_Tables_number 187 _symmetry_space_group_name_Hall 'P -6 2' _symmetry_space_group_name_H-M 'P -6 m 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 5.10093(7) _cell_length_b 5.10093(7) _cell_length_c 4.45510(7) _cell_measurement_temperature 295 _cell_volume 100.389(5) _computing_cell_refinement 'Highscore1.0b (Philips Electronics, 2002)' _computing_data_collection 'Rint2400 (Rigaku Corporation, 1993)' _computing_data_reduction 'Highscore1.0b (Philips Electronics, 2002)' _computing_molecular_graphics 'Balls & Sticks (Kang & Ozawa, 2003)' _computing_structure_refinement 'FULLPROF (Rodriguez-Carvajal, 2003)' _computing_structure_solution 'SHEXLS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 295 _diffrn_measurement_device_type Rint2400 _diffrn_radiation_monochromator 'curved graphite' _exptl_crystal_density_diffrn 2.615 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 78 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_all 2.26 _refine_ls_matrix_type fullcycle _refine_ls_number_parameters 26 _refine_ls_R_factor_all 0.08 _refine_ls_shift/su_max .01 _refine_ls_structure_factor_coef Inet _refine_ls_weighting_scheme 1/Y~i~ _cod_data_source_URL http://scripts.iucr.org/cgi-bin/sendcif?wn6225sup1 _cod_data_source_block I _cod_depositor_comments ; Data in this entry were merged with the data items from the IUCr Web site: svn cat 1100110.cif \ | cif_merge - <(curl -sSL http://scripts.iucr.org/cgi-bin/sendcif?wn6225sup1 \ | cif_filter --renumber --start-data 1100110) \ | cif_filter --exclude-empty-tags --add-cif-header $(codid2file 2105696) \ | sponge 1100110.cif Saulius Gra\