data_global
_chemical_name_mineral 'Epididymite'
loop_
_publ_author_name
'Gatta G D'
'Rotiroti N'
'McIntyre G J'
'Guastoni A'
'Nestola F'
_journal_name_full 'American Mineralogist'
_journal_volume 93 
_journal_year 2008
_journal_page_first 1158
_journal_page_last 1165
_publ_section_title
;
 New insights into the crystal chemistry of epididymite and eudidymite
 from Malosa, Malawi: A single-crystal neutron diffraction study
;
_database_code_amcsd 0004614
_chemical_compound_source 'Malosa, Malawi'
_chemical_formula_sum 'Na Be Si3 O8 H'
_cell_length_a 12.7334
_cell_length_b 13.6298
_cell_length_c 7.3467
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1275.047
_exptl_crystal_density_diffrn      2.555
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
Na   0.10285   0.06934   0.50192   0.02660
Be   0.49472  -0.00042   0.34273   0.00670
Si1   0.15908   0.13780   0.01543   0.00510
Si2   0.34260   0.13635   0.73115   0.00540
Si3   0.33173   0.13741   0.30525   0.00590
O1   0.12005   0.25000   0.00001   0.01390
O2   0.21704   0.12240   0.21004   0.01180
O3   0.06068   0.06612   0.00658   0.00720
O4   0.23777   0.11405   0.84938   0.01480
O5   0.43489   0.06457   0.78946   0.00900
O6   0.37761   0.25000   0.76529   0.01200
O7   0.30497   0.12340   0.52074   0.01060
O8   0.37000   0.25000   0.26883   0.01150
O9   0.41552   0.06300   0.22624   0.00950
OW   0.05713   0.25000   0.48974   0.02880
H1   0.00647   0.25000   0.58561   0.05150
H2   0.01340   0.25000   0.38486   0.05860
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 0.03770 0.02200 0.02010 -0.00740 0.00530 -0.00150
Be 0.00680 0.00680 0.00650 0.00050 0.00020 0.00010
Si1 0.00400 0.00490 0.00620 -0.00080 0.00010 -0.00020
Si2 0.00510 0.00540 0.00590 0.00060 0.00120 -0.00070
Si3 0.00650 0.00550 0.00580 0.00100 -0.00170 -0.00020
O1 0.01360 0.00390 0.02410 0.00000 -0.00310 0.00000
O2 0.00840 0.01620 0.01090 -0.00140 -0.00490 0.00050
O3 0.00680 0.00770 0.00710 -0.00340 -0.00020 -0.00030
O4 0.01080 0.01860 0.01510 -0.00260 0.00780 -0.00210
O5 0.01000 0.00930 0.00760 0.00420 0.00040 -0.00060
O6 0.01330 0.00540 0.01730 0.00000 -0.00320 0.00000
O7 0.01200 0.01310 0.00680 0.00190 -0.00090 -0.00020
O8 0.01240 0.00560 0.01640 0.00000 0.00220 0.00000
O9 0.01130 0.00940 0.00770 0.00450 -0.00130 -0.00060
OW 0.02150 0.03160 0.03330 0.00000 0.00600 0.00000
H1 0.04400 0.05100 0.05900 0.00000 0.02400 0.00000
H2 0.06000 0.06000 0.05500 0.00000 -0.01500 0.00000