#------------------------------------------------------------------------------ #$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35913 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/80/9008079.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9008079 loop_ _publ_author_name 'Mrose, M. E.' 'Appleman, D. E.' _publ_section_title ; The crystal structures and crystal chemistry of vayrynenite, (Mn,Fe)Be(PO4)(OH), and euclase, AlBe(SiO4)(OH) Locality: Villa Rica, Minas Gerais, Brazil ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 16 _journal_page_last 36 _journal_volume 117 _journal_year 1962 _chemical_formula_sum 'Al Be H O5 Si' _chemical_name_mineral Euclase _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 100.25 _cell_angle_gamma 90 _cell_length_a 4.763 _cell_length_b 14.29 _cell_length_c 4.618 _cell_volume 309.300 _exptl_crystal_density_diffrn 3.116 _[local]_cod_chemical_formula_sum_orig 'Al Be Si O5 H' _cod_database_code 9008079 _amcsd_database_code AMCSD#0010269 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,z 1/2-x,1/2+y,-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Al 0.24900 0.44470 0.95700 0.00127 Be 0.17600 0.30000 0.47000 0.00583 Si 0.17700 0.10020 0.53900 0.00076 O1 0.38000 0.03210 0.76100 0.00228 O2 0.38000 0.37670 0.65000 0.00266 O3 0.34600 0.20000 0.52000 0.00253 O4 0.10000 0.05290 0.21500 0.00342 O-H 0.15800 0.33240 0.11800 0.00532