data_global
_chemical_name_mineral 'Leucophanite'
loop_
_publ_author_name
'Grice J D'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 27 
_journal_year 1989
_journal_page_first 193
_journal_page_last 197
_publ_section_title
;
 Refinement of the crystal structure of leucophanite
;
_database_code_amcsd 0005227
_chemical_formula_sum 'Na Ca Be Si2 O6 F'
_cell_length_a 7.401
_cell_length_b 7.412
_cell_length_c 9.990
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 548.014
_exptl_crystal_density_diffrn      2.948
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.10210   0.67820   0.24650
Ca   0.07880   0.64620   0.75990
Be   0.12000   0.35920   0.53070
Si1   0.10000   0.35800   0.02410
Si2   0.23710   0.99170   0.99940
O1   0.09120   0.35480   0.86450
O2   0.14830   0.15800   0.08950
O3   0.09860   0.91360   0.41110
O4   0.08000   0.91290   0.90300
O5   0.17690   0.16260   0.59350
O6   0.25530   0.50760   0.58920
F   0.12160   0.35260   0.37290
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
Na 0.01800 0.02500 0.01710 0.00520 0.00450 -0.00640
Ca 0.01160 0.00890 0.00910 0.00210 0.00060 0.00250
Be 0.00300 0.00040 0.00490 0.00000 0.00000 0.00000
Si1 0.00660 0.00730 0.00910 0.00000 0.00000 -0.00020
Si2 0.00680 0.00690 0.00980 0.00030 -0.00110 -0.00050
O1 0.01290 0.00960 0.00900 0.00110 0.00170 0.00030
O2 0.01240 0.00670 0.01100 0.00090 0.00130 0.00010
O3 0.00770 0.01160 0.01090 -0.00090 0.00080 0.00000
O4 0.00650 0.01140 0.01160 -0.00080 -0.00150 -0.00290
O5 0.01150 0.00660 0.01100 0.00100 0.00310 -0.00140
O6 0.00990 0.01040 0.01010 -0.00060 0.00280 0.00200
F 0.01620 0.01910 0.01230 -0.00030 0.00010 -0.00180