data_global
_chemical_name_mineral 'Qilianshanite'
loop_
_publ_author_name
'Wang L'
'Zhou K'
'Shi J'
_journal_name_full 'Geological Review'
_journal_volume 40 
_journal_year 1994
_journal_page_first 347
_journal_page_last 353
_publ_section_title
;
 Refinement of the qilianshanite structure
;
_database_code_amcsd 0012663
_chemical_compound_source 'Qinghai Province, China'
_chemical_formula_sum 'Na C B (O8 H8)'
_cell_length_a 16.119
_cell_length_b 6.928
_cell_length_c 6.730
_cell_angle_alpha 90
_cell_angle_beta 100.46
_cell_angle_gamma 90
_cell_volume 739.066
_exptl_crystal_density_diffrn      1.635
_symmetry_space_group_name_H-M 'C 1 2 1'
loop_
_space_group_symop_operation_xyz
  '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_U_iso_or_equiv
Na1   0.50000   0.00000   0.50000   0.03040
Na2   0.50000   0.00300   0.00000   0.03166
C   0.69010   0.00500   0.32600   0.04559
B   0.81900   0.00700  -0.10500   0.02406
O-H1   0.73710  -0.00200  -0.15700   0.04559
O-H2   0.85990   0.00100   0.08000   0.03673
O-H3   0.86450   0.00000  -0.25800   0.03673
O4   0.64450   0.02400   0.47400   0.04306
O-H5   0.77230  -0.00400   0.37200   0.04306
O6   0.64780   0.01400   0.13700   0.04559
Wat7   0.48300   0.25100   0.24100   0.05066
Wat8   0.99000   0.26600   0.24100   0.02660
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
Na1 0.01900 0.03700 0.03400 0.00000 0.00500 0.00000
Na2 0.02200 0.04000 0.03400 0.00000 0.00400 0.00000
C 0.04900 0.05000 0.03600 -0.04000 0.00300 0.00000
B 0.02100 0.03500 0.01700 0.01000 0.00500 -0.01000
O-H1 0.03700 0.07600 0.02400 -0.02000 0.00600 -0.01000
O-H2 0.02700 0.05200 0.02900 -0.02000 0.00300 -0.02000
O-H3 0.02300 0.04600 0.04000 0.00000 0.00200 0.00000
O4 0.02400 0.08000 0.02300 0.01000 0.01100 0.01000
O-H5 0.02100 0.07200 0.03200 0.00000 -0.00100 0.01000
O6 0.02100 0.08000 0.03500 0.02000 0.00000 -0.01000
Wat7 0.04000 0.06000 0.07000 -0.02100 0.03000 -0.01000
Wat8 0.03200 0.02900 0.02000 -0.01800 -0.00300 -0.00400