data_global
_chemical_name_mineral 'Norbergite'
loop_
_publ_author_name
'Camara F'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 35 
_journal_year 1997
_journal_page_first 1523
_journal_page_last 1530
_publ_section_title
;
 New data on the structure of norbergite: location of hydrogen
 by X-ray diffraction
 Sample: HV43 N4
;
_database_code_amcsd 0005535
_chemical_formula_sum '(Mg2.979 Fe.021) (Si.985 B.015) H.454 O4.462 F1.538'
_cell_length_a 4.710
_cell_length_b 10.279
_cell_length_c 8.807
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 426.383
_exptl_crystal_density_diffrn      3.154
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM2   0.99139   0.90594   0.25000   0.99300 ?
FeM2   0.99139   0.90594   0.25000   0.00700 ?
MgM3   0.98973   0.63316   0.43062   0.99300 ?
FeM3   0.98973   0.63316   0.43062   0.00700 ?
Si   0.41998   0.71964   0.25000   0.98500 ?
B   0.41998   0.71964   0.25000   0.01500 ?
H   0.88100   0.99600   0.01100   0.22700   0.04370
O1   0.76216   0.72124   0.25000   1.00000 ?
O2   0.27767   0.57417   0.25000   1.00000 ?
O3   0.27011   0.79107   0.10415   1.00000 ?
F5   0.73471   0.96786   0.08157   0.76900 ?
O5   0.73471   0.96786   0.08157   0.23100 ?
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
MgM2 0.00595 0.00549 0.00975 0.00027 0.00000 0.00000
FeM2 0.00595 0.00549 0.00975 0.00027 0.00000 0.00000
MgM3 0.00613 0.00587 0.00580 -0.00021 0.00059 0.00021
FeM3 0.00613 0.00587 0.00580 -0.00021 0.00059 0.00021
Si 0.00351 0.00463 0.00458 0.00000 0.00000 0.00000
B 0.00351 0.00463 0.00458 0.00000 0.00000 0.00000
O1 0.00369 0.00654 0.00672 0.00031 0.00000 0.00000
O2 0.00573 0.00460 0.00749 -0.00004 0.00000 0.00000
O3 0.00501 0.00644 0.00520 -0.00005 -0.00019 0.00127
F5 0.00988 0.00738 0.00934 0.00087 -0.00279 -0.00016
O5 0.00988 0.00738 0.00934 0.00087 -0.00279 -0.00016