data_global
_amcsd_formula_title 'LiAlGe2O6'
loop_
_publ_author_name
'Redhammer G J'
'Nestola F'
'Miletich R'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1213
_journal_page_last 1218
_publ_section_title
;
 Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry
 Note: Sample #LA2n_L_tr
;
_database_code_amcsd 0019065
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li Al Ge2 O6'
_cell_length_a 9.8986
_cell_length_b 8.4008
_cell_length_c 5.4016
_cell_angle_alpha 90
_cell_angle_beta 110.648
_cell_angle_gamma 90
_cell_volume 420.323
_exptl_crystal_density_diffrn      4.348
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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
Li1   0.50580   0.28450   0.80220   0.02010
Al3   0.49528   0.08633   0.24665   0.00101
Ge1   0.29264   0.58272   0.72762   0.00647
Ge2   0.28071   0.38681   0.22861   0.00573
O1   0.10470   0.57310   0.64690   0.00770
O2   0.36070   0.50680   0.05760   0.00980
O3   0.38740   0.75760   0.79960   0.01090
O4   0.35780   0.43560   0.56490   0.00930
O5   0.09170   0.40190   0.12830   0.00730
O6   0.32670   0.18990   0.21570   0.01190
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li1 0.01800 0.02000 0.01900 0.00200 0.00200 0.00300
Al3 0.00040 0.00060 0.00210 0.00000 0.00040 0.00000
Ge1 0.00541 0.00601 0.00856 -0.00172 0.00315 -0.00167
Ge2 0.00499 0.00609 0.00620 0.00109 0.00209 0.00024
O1 0.00480 0.00830 0.00920 -0.00030 0.00140 0.00030
O2 0.00790 0.01300 0.00810 -0.00200 0.00230 0.00230
O3 0.01280 0.00780 0.01230 -0.00550 0.00470 -0.00110
O4 0.00880 0.01160 0.00640 0.00310 0.00140 -0.00090
O5 0.00530 0.00760 0.00830 0.00080 0.00180 0.00030
O6 0.01070 0.00700 0.02070 0.00240 0.00880 0.00070