#------------------------------------------------------------------------------ #$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120115 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/37/9013705.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_9013705 loop_ _publ_author_name 'Sarp, H.' 'Cerny, R.' 'Babalik, H.' 'Hatipoglu, M.' 'Mari, G.' _publ_section_title ;Lapeyreite, Cu3O[AsO3(OH)]2x0.75H2O, a new mineral: Its description and crystal structure Locality: Daluis Gorge, Var Valley, Alpes-Maritimes, France ; _journal_name_full 'American Mineralogist' _journal_page_first 171 _journal_page_last 176 _journal_volume 95 _journal_year 2010 _chemical_formula_sum 'As1.32 Cu2 H2 O6.5' _chemical_name_mineral Lapeyreite _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 103.26 _cell_angle_gamma 90 _cell_length_a 19.158 _cell_length_b 2.9361 _cell_length_c 9.193 _cell_volume 503.318 _exptl_crystal_density_diffrn 4.381 _[local]_cod_chemical_formula_sum_orig 'Cu2 As1.32 O6.5 H2' _cod_database_code 9013705 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2+y,z x,-y,z 1/2+x,1/2-y,z -x,y,-z 1/2-x,1/2+y,-z -x,-y,-z 1/2-x,1/2-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cu1 0.42730 0.00000 0.17520 1.00000 0.02250 Cu2 0.67200 0.00000 0.47730 1.00000 0.02030 As1 0.08260 0.00000 0.16890 0.66000 0.03100 As2 0.22580 0.00000 0.80490 0.66000 0.03200 O1 0.21550 0.00000 0.60900 1.00000 0.02400 O2 0.12300 0.00000 0.35700 1.00000 0.03600 O3 0.99370 0.00000 0.17200 1.00000 0.02600 O4 0.13880 0.00000 0.82400 1.00000 0.03000 O5 0.76100 0.00000 0.87300 1.00000 0.18000 O6 0.60400 0.00000 0.10900 1.00000 0.23000 Wat7 0.48000 0.00000 0.47200 0.50000 0.07000 _journal_paper_doi 10.2138/am.2010.3225