#------------------------------------------------------------------------------ #$Date: 2014-07-12 01:16:09 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120081 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/30/25/4302556.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_4302556 loop_ _publ_author_name 'Michael J. Evans' 'Verina F. Kranak' 'Francisco J. Garcia-Garcia' 'Gregory P. Holland' 'Luke L. Daemen' 'Thomas Proffen' 'Myeong H. Lee' 'Otto F. Sankey' 'Ulrich H\"aussermann' _publ_section_title ; Structural and Dynamic Properties of BaInGeH: A Rare Solid-State Indium Hydride ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 5602 _journal_page_last 5604 _journal_volume 48 _journal_year 2009 _chemical_formula_sum 'Ba Ge In' _chemical_formula_weight 324.74 _chemical_name_systematic ' ?' _space_group_IT_number 164 _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _audit_author_name 'Michael Evans' _audit_creation_date 2008-10-03T12:43 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2008-10-03T12:43 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_formula_units_Z 1 _cell_length_a 4.56846(28) _cell_length_b 4.56846 _cell_length_c 5.1673(12) _cell_measurement_temperature 300 _cell_volume 93.40(2) _pd_block_id 2008-10-03T12:43|BAINGED_phase2|Michael_Evans|| _pd_phase_name BaInGe _[local]_cod_data_source_file ic9005423_si_002_2.cif _[local]_cod_data_source_block BAINGED_phase_2 _[local]_cod_chemical_formula_sum_orig 'Ba Ge1.00 In1.00' _cod_depositor_comments ; The following automatic conversions were performed: '_geom_bond_publ_flag' value 'N' changed to 'n' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (48 times). '_geom_angle_publ_flag' value 'N' changed to 'n' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (255 times). Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_original_cell_volume 93.397(22) _cod_database_code 4302556 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -y,x-y,+z 3 y-x,-x,+z 4 y-x,+y,+z 5 -y,-x,+z 6 +x,x-y,+z -1 -x,-y,-z -2 +y,y-x,-z -3 x-y,+x,-z -4 x-y,-y,-z -5 +y,+x,-z -6 -x,y-x,-z loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Ba BA1 0.0 0.0 0.0 1.0 Uiso 0.0076(13) 1 In IN2 0.33333 0.66667 0.4556(8) 0.5 Uiso 0.0249(13) 2 Ge GE3 0.33333 0.66667 0.4556(8) 0.5 Uiso 0.0249(13) 2 loop_ _atom_type_symbol _atom_type_number_in_cell Ba 1.0 In 1.0 Ge 1.0 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag IN2 BA1 IN2 88.595(16) 1_444 . 1_445 n IN2 BA1 IN2 72.65(7) 1_444 . 1_544 n IN2 BA1 IN2 137.809(14) 1_444 . 1_545 n IN2 BA1 IN2 72.65(7) 1_444 . 1_554 n IN2 BA1 IN2 137.809(14) 1_444 . 1_555 n IN2 BA1 IN2 42.191(14) 1_444 . -1_555 n IN2 BA1 IN2 107.35(7) 1_444 . -1_556 n IN2 BA1 IN2 42.191(14) 1_444 . -1_565 n IN2 BA1 IN2 107.35(7) 1_444 . -1_566 n IN2 BA1 IN2 91.405(16) 1_444 . -1_665 n IN2 BA1 IN2 179.9657 1_444 . -1_666 n IN2 BA1 GE3 88.595(16) 1_444 . 1_445 n IN2 BA1 GE3 137.809(14) 1_444 . 1_545 n IN2 BA1 GE3 137.809(14) 1_444 . 1_555 n IN2 BA1 GE3 42.191(14) 1_444 . -1_555 n IN2 BA1 GE3 42.191(14) 1_444 . -1_565 n IN2 BA1 GE3 91.405(16) 1_444 . -1_665 n IN2 BA1 IN2 137.809(14) 1_445 . 1_544 n IN2 BA1 IN2 80.50(8) 1_445 . 1_545 n IN2 BA1 IN2 137.809(14) 1_445 . 1_554 n IN2 BA1 IN2 80.49(8) 1_445 . 1_555 n IN2 BA1 IN2 99.51(8) 1_445 . -1_555 n IN2 BA1 IN2 42.191(14) 1_445 . -1_556 n IN2 BA1 IN2 99.50(8) 1_445 . -1_565 n IN2 BA1 IN2 42.191(14) 1_445 . -1_566 n IN2 BA1 IN2 179.9657 1_445 . -1_665 n IN2 BA1 IN2 91.405(16) 1_445 . -1_666 n IN2 BA1 GE3 0.0 1_445 . 1_445 n IN2 BA1 GE3 80.50(8) 1_445 . 1_545 n IN2 BA1 GE3 80.49(8) 1_445 . 1_555 n IN2 BA1 GE3 99.51(8) 1_445 . -1_555 n IN2 BA1 GE3 99.50(8) 1_445 . -1_565 n IN2 BA1 GE3 179.9657 1_445 . -1_665 n IN2 BA1 IN2 88.595(16) 1_544 . 1_545 n IN2 BA1 IN2 72.65(7) 1_544 . 1_554 n IN2 BA1 IN2 137.809(14) 1_544 . 1_555 n IN2 BA1 IN2 42.191(14) 1_544 . -1_555 n IN2 BA1 IN2 107.35(7) 1_544 . -1_556 n IN2 BA1 IN2 91.405(16) 1_544 . -1_565 n IN2 BA1 IN2 180.0 1_544 . -1_566 n IN2 BA1 IN2 42.191(14) 1_544 . -1_665 n IN2 BA1 IN2 107.35(7) 1_544 . -1_666 n IN2 BA1 GE3 137.809(14) 1_544 . 1_445 n IN2 BA1 GE3 88.595(16) 1_544 . 1_545 n IN2 BA1 GE3 137.809(14) 1_544 . 1_555 n IN2 BA1 GE3 42.191(14) 1_544 . -1_555 n IN2 BA1 GE3 91.405(16) 1_544 . -1_565 n IN2 BA1 GE3 42.191(14) 1_544 . -1_665 n IN2 BA1 IN2 137.809(14) 1_545 . 1_554 n IN2 BA1 IN2 80.50(8) 1_545 . 1_555 n IN2 BA1 IN2 99.50(8) 1_545 . -1_555 n IN2 BA1 IN2 42.191(14) 1_545 . -1_556 n IN2 BA1 IN2 179.972 1_545 . -1_565 n IN2 BA1 IN2 91.405(16) 1_545 . -1_566 n IN2 BA1 IN2 99.50(8) 1_545 . -1_665 n IN2 BA1 IN2 42.191(14) 1_545 . -1_666 n IN2 BA1 GE3 80.50(8) 1_545 . 1_445 n IN2 BA1 GE3 0.0 1_545 . 1_545 n IN2 BA1 GE3 80.50(8) 1_545 . 1_555 n IN2 BA1 GE3 99.50(8) 1_545 . -1_555 n IN2 BA1 GE3 179.972 1_545 . -1_565 n IN2 BA1 GE3 99.50(8) 1_545 . -1_665 n IN2 BA1 IN2 88.595(16) 1_554 . 1_555 n IN2 BA1 IN2 91.405(16) 1_554 . -1_555 n IN2 BA1 IN2 179.9802 1_554 . -1_556 n IN2 BA1 IN2 42.191(14) 1_554 . -1_565 n IN2 BA1 IN2 107.35(7) 1_554 . -1_566 n IN2 BA1 IN2 42.191(14) 1_554 . -1_665 n IN2 BA1 IN2 107.35(7) 1_554 . -1_666 n IN2 BA1 GE3 137.809(14) 1_554 . 1_445 n IN2 BA1 GE3 137.809(14) 1_554 . 1_545 n IN2 BA1 GE3 88.595(16) 1_554 . 1_555 n IN2 BA1 GE3 91.405(16) 1_554 . -1_555 n IN2 BA1 GE3 42.191(14) 1_554 . -1_565 n IN2 BA1 GE3 42.191(14) 1_554 . -1_665 n IN2 BA1 IN2 179.972 1_555 . -1_555 n IN2 BA1 IN2 91.405(16) 1_555 . -1_556 n IN2 BA1 IN2 99.50(8) 1_555 . -1_565 n IN2 BA1 IN2 42.191(14) 1_555 . -1_566 n IN2 BA1 IN2 99.51(8) 1_555 . -1_665 n IN2 BA1 IN2 42.191(14) 1_555 . -1_666 n IN2 BA1 GE3 80.49(8) 1_555 . 1_445 n IN2 BA1 GE3 80.50(8) 1_555 . 1_545 n IN2 BA1 GE3 0.0 1_555 . 1_555 n IN2 BA1 GE3 179.972 1_555 . -1_555 n IN2 BA1 GE3 99.50(8) 1_555 . -1_565 n IN2 BA1 GE3 99.51(8) 1_555 . -1_665 n IN2 BA1 IN2 88.595(16) -1_555 . -1_556 n IN2 BA1 IN2 80.50(8) -1_555 . -1_565 n IN2 BA1 IN2 137.809(14) -1_555 . -1_566 n IN2 BA1 IN2 80.49(8) -1_555 . -1_665 n IN2 BA1 IN2 137.809(14) -1_555 . -1_666 n IN2 BA1 GE3 99.51(8) -1_555 . 1_445 n IN2 BA1 GE3 99.50(8) -1_555 . 1_545 n IN2 BA1 GE3 179.972 -1_555 . 1_555 n IN2 BA1 GE3 0.0 -1_555 . -1_555 n IN2 BA1 GE3 80.50(8) -1_555 . -1_565 n IN2 BA1 GE3 80.49(8) -1_555 . -1_665 n IN2 BA1 IN2 137.809(14) -1_556 . -1_565 n IN2 BA1 IN2 72.65(7) -1_556 . -1_566 n IN2 BA1 IN2 137.809(14) -1_556 . -1_665 n IN2 BA1 IN2 72.65(7) -1_556 . -1_666 n IN2 BA1 GE3 42.191(14) -1_556 . 1_445 n IN2 BA1 GE3 42.191(14) -1_556 . 1_545 n IN2 BA1 GE3 91.405(16) -1_556 . 1_555 n IN2 BA1 GE3 88.595(16) -1_556 . -1_555 n IN2 BA1 GE3 137.809(14) -1_556 . -1_565 n IN2 BA1 GE3 137.809(14) -1_556 . -1_665 n IN2 BA1 IN2 88.595(16) -1_565 . -1_566 n IN2 BA1 IN2 80.50(8) -1_565 . -1_665 n IN2 BA1 IN2 137.809(14) -1_565 . -1_666 n IN2 BA1 GE3 99.50(8) -1_565 . 1_445 n IN2 BA1 GE3 179.972 -1_565 . 1_545 n IN2 BA1 GE3 99.50(8) -1_565 . 1_555 n IN2 BA1 GE3 80.50(8) -1_565 . -1_555 n IN2 BA1 GE3 0.0 -1_565 . -1_565 n IN2 BA1 GE3 80.50(8) -1_565 . -1_665 n IN2 BA1 IN2 137.809(14) -1_566 . -1_665 n IN2 BA1 IN2 72.65(7) -1_566 . -1_666 n IN2 BA1 GE3 42.191(14) -1_566 . 1_445 n IN2 BA1 GE3 91.405(16) -1_566 . 1_545 n IN2 BA1 GE3 42.191(14) -1_566 . 1_555 n IN2 BA1 GE3 137.809(14) -1_566 . -1_555 n IN2 BA1 GE3 88.595(16) -1_566 . -1_565 n IN2 BA1 GE3 137.809(14) -1_566 . -1_665 n IN2 BA1 IN2 88.595(16) -1_665 . -1_666 n IN2 BA1 GE3 179.9657 -1_665 . 1_445 n IN2 BA1 GE3 99.50(8) -1_665 . 1_545 n IN2 BA1 GE3 99.51(8) -1_665 . 1_555 n IN2 BA1 GE3 80.49(8) -1_665 . -1_555 n IN2 BA1 GE3 80.50(8) -1_665 . -1_565 n IN2 BA1 GE3 0.0 -1_665 . -1_665 n IN2 BA1 GE3 91.405(16) -1_666 . 1_445 n IN2 BA1 GE3 42.191(14) -1_666 . 1_545 n IN2 BA1 GE3 42.191(14) -1_666 . 1_555 n IN2 BA1 GE3 137.809(14) -1_666 . -1_555 n IN2 BA1 GE3 137.809(14) -1_666 . -1_565 n IN2 BA1 GE3 88.595(16) -1_666 . -1_665 n GE3 BA1 GE3 80.50(8) 1_445 . 1_545 n GE3 BA1 GE3 80.49(8) 1_445 . 1_555 n GE3 BA1 GE3 99.51(8) 1_445 . -1_555 n GE3 BA1 GE3 99.50(8) 1_445 . -1_565 n GE3 BA1 GE3 179.9657 1_445 . -1_665 n GE3 BA1 GE3 80.50(8) 1_545 . 1_555 n GE3 BA1 GE3 99.50(8) 1_545 . -1_555 n GE3 BA1 GE3 179.972 1_545 . -1_565 n GE3 BA1 GE3 99.50(8) 1_545 . -1_665 n GE3 BA1 GE3 179.972 1_555 . -1_555 n GE3 BA1 GE3 99.50(8) 1_555 . -1_565 n GE3 BA1 GE3 99.51(8) 1_555 . -1_665 n GE3 BA1 GE3 80.50(8) -1_555 . -1_565 n GE3 BA1 GE3 80.49(8) -1_555 . -1_665 n GE3 BA1 GE3 80.50(8) -1_565 . -1_665 n BA1 IN2 BA1 88.595(16) 1_555 . 1_556 n BA1 IN2 BA1 80.50(8) 1_555 . 1_565 n BA1 IN2 BA1 137.809(14) 1_555 . 1_566 n BA1 IN2 BA1 80.49(8) 1_555 . 1_665 n BA1 IN2 BA1 137.809(14) 1_555 . 1_666 n BA1 IN2 IN2 75.32(11) 1_555 . -1_566 n BA1 IN2 IN2 75.32(11) 1_555 . -1_666 n BA1 IN2 IN2 148.12(23) 1_555 . -1_676 n BA1 IN2 GE3 75.32(11) 1_555 . -1_566 n BA1 IN2 GE3 75.32(11) 1_555 . -1_666 n BA1 IN2 GE3 148.12(23) 1_555 . -1_676 n BA1 IN2 BA1 137.809(14) 1_556 . 1_565 n BA1 IN2 BA1 72.65(7) 1_556 . 1_566 n BA1 IN2 BA1 137.809(14) 1_556 . 1_665 n BA1 IN2 BA1 72.65(7) 1_556 . 1_666 n BA1 IN2 IN2 62.49(12) 1_556 . -1_566 n BA1 IN2 IN2 62.49(12) 1_556 . -1_666 n BA1 IN2 IN2 123.29(23) 1_556 . -1_676 n BA1 IN2 GE3 62.49(12) 1_556 . -1_566 n BA1 IN2 GE3 62.49(12) 1_556 . -1_666 n BA1 IN2 GE3 123.29(23) 1_556 . -1_676 n BA1 IN2 BA1 88.595(16) 1_565 . 1_566 n BA1 IN2 BA1 80.50(8) 1_565 . 1_665 n BA1 IN2 BA1 137.809(14) 1_565 . 1_666 n BA1 IN2 IN2 75.32(11) 1_565 . -1_566 n BA1 IN2 IN2 148.11(23) 1_565 . -1_666 n BA1 IN2 IN2 75.32(11) 1_565 . -1_676 n BA1 IN2 GE3 75.32(11) 1_565 . -1_566 n BA1 IN2 GE3 148.11(23) 1_565 . -1_666 n BA1 IN2 GE3 75.32(11) 1_565 . -1_676 n BA1 IN2 BA1 137.809(14) 1_566 . 1_665 n BA1 IN2 BA1 72.65(7) 1_566 . 1_666 n BA1 IN2 IN2 62.49(12) 1_566 . -1_566 n BA1 IN2 IN2 123.29(23) 1_566 . -1_666 n BA1 IN2 IN2 62.49(12) 1_566 . -1_676 n BA1 IN2 GE3 62.49(12) 1_566 . -1_566 n BA1 IN2 GE3 123.29(23) 1_566 . -1_666 n BA1 IN2 GE3 62.49(12) 1_566 . -1_676 n BA1 IN2 BA1 88.595(16) 1_665 . 1_666 n BA1 IN2 IN2 148.12(23) 1_665 . -1_566 n BA1 IN2 IN2 75.32(11) 1_665 . -1_666 n BA1 IN2 IN2 75.32(11) 1_665 . -1_676 n BA1 IN2 GE3 148.12(23) 1_665 . -1_566 n BA1 IN2 GE3 75.32(11) 1_665 . -1_666 n BA1 IN2 GE3 75.32(11) 1_665 . -1_676 n BA1 IN2 IN2 123.29(23) 1_666 . -1_566 n BA1 IN2 IN2 62.49(12) 1_666 . -1_666 n BA1 IN2 IN2 62.49(12) 1_666 . -1_676 n BA1 IN2 GE3 123.29(23) 1_666 . -1_566 n BA1 IN2 GE3 62.49(12) 1_666 . -1_666 n BA1 IN2 GE3 62.49(12) 1_666 . -1_676 n IN2 IN2 IN2 117.13(10) -1_566 . -1_666 n IN2 IN2 IN2 117.13(10) -1_566 . -1_676 n IN2 IN2 GE3 0.0 -1_566 . -1_566 n IN2 IN2 GE3 117.13(10) -1_566 . -1_666 n IN2 IN2 GE3 117.13(10) -1_566 . -1_676 n IN2 IN2 IN2 117.13(10) -1_666 . -1_676 n IN2 IN2 GE3 117.13(10) -1_666 . -1_566 n IN2 IN2 GE3 0.0 -1_666 . -1_666 n IN2 IN2 GE3 117.13(10) -1_666 . -1_676 n IN2 IN2 GE3 117.13(10) -1_676 . -1_566 n IN2 IN2 GE3 117.13(10) -1_676 . -1_666 n IN2 IN2 GE3 0.0 -1_676 . -1_676 n GE3 IN2 GE3 117.13(10) -1_566 . -1_666 n GE3 IN2 GE3 117.13(10) -1_566 . -1_676 n GE3 IN2 GE3 117.13(10) -1_666 . -1_676 n BA1 GE3 BA1 80.50(8) 1_555 . 1_565 n BA1 GE3 BA1 80.49(8) 1_555 . 1_665 n BA1 GE3 IN2 75.32(11) 1_555 . -1_566 n BA1 GE3 IN2 75.32(11) 1_555 . -1_666 n BA1 GE3 IN2 148.12(23) 1_555 . -1_676 n BA1 GE3 GE3 75.32(11) 1_555 . -1_566 n BA1 GE3 GE3 75.32(11) 1_555 . -1_666 n BA1 GE3 GE3 148.12(23) 1_555 . -1_676 n BA1 GE3 BA1 80.50(8) 1_565 . 1_665 n BA1 GE3 IN2 75.32(11) 1_565 . -1_566 n BA1 GE3 IN2 148.11(23) 1_565 . -1_666 n BA1 GE3 IN2 75.32(11) 1_565 . -1_676 n BA1 GE3 GE3 75.32(11) 1_565 . -1_566 n BA1 GE3 GE3 148.11(23) 1_565 . -1_666 n BA1 GE3 GE3 75.32(11) 1_565 . -1_676 n BA1 GE3 IN2 148.12(23) 1_665 . -1_566 n BA1 GE3 IN2 75.32(11) 1_665 . -1_666 n BA1 GE3 IN2 75.32(11) 1_665 . -1_676 n BA1 GE3 GE3 148.12(23) 1_665 . -1_566 n BA1 GE3 GE3 75.32(11) 1_665 . -1_666 n BA1 GE3 GE3 75.32(11) 1_665 . -1_676 n IN2 GE3 IN2 117.13(10) -1_566 . -1_666 n IN2 GE3 IN2 117.13(10) -1_566 . -1_676 n IN2 GE3 GE3 0.0 -1_566 . -1_566 n IN2 GE3 GE3 117.13(10) -1_566 . -1_666 n IN2 GE3 GE3 117.13(10) -1_566 . -1_676 n IN2 GE3 IN2 117.13(10) -1_666 . -1_676 n IN2 GE3 GE3 117.13(10) -1_666 . -1_566 n IN2 GE3 GE3 0.0 -1_666 . -1_666 n IN2 GE3 GE3 117.13(10) -1_666 . -1_676 n IN2 GE3 GE3 117.13(10) -1_676 . -1_566 n IN2 GE3 GE3 117.13(10) -1_676 . -1_666 n IN2 GE3 GE3 0.0 -1_676 . -1_676 n GE3 GE3 GE3 117.13(10) -1_566 . -1_666 n GE3 GE3 GE3 117.13(10) -1_566 . -1_676 n GE3 GE3 GE3 117.13(10) -1_666 . -1_676 n loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag BA1 IN2 3.8562(32) . 1_444 n BA1 IN2 3.5355(29) . 1_445 n BA1 IN2 3.8561(32) . 1_544 n BA1 IN2 3.5355(29) . 1_545 n BA1 IN2 3.8562(32) . 1_554 n BA1 IN2 3.5355(29) . 1_555 n BA1 IN2 3.5355(29) . -1_555 n BA1 IN2 3.8562(32) . -1_556 n BA1 IN2 3.5355(29) . -1_565 n BA1 IN2 3.8561(32) . -1_566 n BA1 IN2 3.5355(29) . -1_665 n BA1 IN2 3.8562(32) . -1_666 n BA1 GE3 3.8562(32) . 1_444 n BA1 GE3 3.5355(29) . 1_445 n BA1 GE3 3.8561(32) . 1_544 n BA1 GE3 3.5355(29) . 1_545 n BA1 GE3 3.8562(32) . 1_554 n BA1 GE3 3.5355(29) . 1_555 n BA1 GE3 3.5355(29) . -1_555 n BA1 GE3 3.8562(32) . -1_556 n BA1 GE3 3.5355(29) . -1_565 n BA1 GE3 3.8561(32) . -1_566 n BA1 GE3 3.5355(29) . -1_665 n BA1 GE3 3.8562(32) . -1_666 n IN2 BA1 3.5355(29) . 1_555 n IN2 BA1 3.8562(32) . 1_556 n IN2 BA1 3.5355(29) . 1_565 n IN2 BA1 3.8561(32) . 1_566 n IN2 BA1 3.5355(29) . 1_665 n IN2 BA1 3.8562(32) . 1_666 n IN2 IN2 2.6772(15) . -1_566 n IN2 IN2 2.6772(15) . -1_666 n IN2 IN2 2.6772(15) . -1_676 n IN2 GE3 2.6772(15) . -1_566 n IN2 GE3 2.6772(15) . -1_666 n IN2 GE3 2.6772(15) . -1_676 n GE3 BA1 3.5355(29) . 1_555 n GE3 BA1 3.8562(32) . 1_556 n GE3 BA1 3.5355(29) . 1_565 n GE3 BA1 3.8561(32) . 1_566 n GE3 BA1 3.5355(29) . 1_665 n GE3 BA1 3.8562(32) . 1_666 n GE3 IN2 2.6772(15) . -1_566 n GE3 IN2 2.6772(15) . -1_666 n GE3 IN2 2.6772(15) . -1_676 n GE3 GE3 2.6772(15) . -1_566 n GE3 GE3 2.6772(15) . -1_666 n GE3 GE3 2.6772(15) . -1_676 n loop_ _pd_block_diffractogram_id 2008-10-03T12:43|BAINGED_H_01|Michael_Evans|NPDF 2008-10-03T12:43|BAINGED_H_02|Michael_Evans|NPDF 2008-10-03T12:43|BAINGED_H_03|Michael_Evans|NPDF 2008-10-03T12:43|BAINGED_H_04|Michael_Evans|NPDF _journal_paper_doi 10.1021/ic9005423