data_global
_amcsd_formula_title 'CaGeO3'
loop_
_publ_author_name
'Barbier J'
'Levy D'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 212 
_journal_year 1997
_journal_page_first 519
_journal_page_last 528
_publ_section_title
;
 Crystal structures of Ca5Ge3O11 and wollastonite-type CaGeO3
 _cod_database_code 1008744
;
_database_code_amcsd 0016625
_chemical_formula_sum 'Ca Ge O3'
_cell_length_a 7.2686
_cell_length_b 7.5262
_cell_length_c 8.094
_cell_angle_alpha 103.44
_cell_angle_beta 94.42
_cell_angle_gamma 90.11
_cell_volume 429.285
_exptl_crystal_density_diffrn      3.729
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Ca(1)  -0.02713   0.24680  -0.00951   0.00720
Ca(2)   0.26187  -0.07445   0.70501   0.00880
Ca(3)   0.25918   0.42547   0.70730   0.00780
Ge(l)   0.22422   0.05457   0.32260   0.00580
Ge(2)   0.22769   0.60715   0.31858   0.00600
Ge(3)   0.44842   0.27343   0.09412   0.00580
O(1)   0.68490   0.27010   0.09490   0.00890
O(2)   0.29100   0.22490  -0.08050   0.00910
O(3)   0.03030   0.52820   0.18870   0.01000
O(4)   0.42130   0.49600   0.22390   0.01130
O(5)   0.02760   0.06910   0.19280   0.01050
O(6)   0.41860   0.13020   0.23790   0.01270
O(7)   0.22420   0.13830   0.53610   0.01400
O(8)   0.23160   0.62430   0.53100   0.01360
O(9)   0.26610  -0.17830   0.27820   0.02110
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
Ca(1) 0.00730 0.00730 0.00720 0.00020 0.00120 0.00170
Ca(2) 0.00860 0.00850 0.01010 0.00130 0.00130 0.00370
Ca(3) 0.00800 0.00730 0.00770 -0.00070 0.00110 0.00090
Ge(l) 0.00660 0.00540 0.00550 -0.00060 -0.00020 0.00160
Ge(2) 0.00660 0.00560 0.00560 0.00060 -0.00020 0.00120
Ge(3) 0.00490 0.00610 0.00620 0.00000 -0.00010 0.00140
O(1) 0.00590 0.01140 0.00960 0.00000 0.00150 0.00260
O(2) 0.00820 0.01140 0.00740 -0.00080 -0.00170 0.00200
O(3) 0.00690 0.01260 0.00880 -0.00050 -0.00150 -0.00010
O(4) 0.00780 0.00750 0.01600 0.00220 0.00100 -0.00270
O(5) 0.00790 0.01540 0.00870 0.00060 -0.00130 0.00450
O(6) 0.00800 0.01700 0.01660 -0.00220 -0.00070 0.01160
O(7) 0.02460 0.01060 0.00600 -0.00030 0.00010 0.00050
O(8) 0.01960 0.01420 0.00700 0.00070 0.00060 0.00290
O(9) 0.03290 0.00540 0.02740 0.00360 0.01260 0.00550