data_global
_chemical_name_mineral 'Bergslagite'
loop_
_publ_author_name
'Hansen S'
'Falth L'
'Johnson O'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 166 
_journal_year 1984
_journal_page_first 73
_journal_page_last 80
_publ_section_title
;
 Bergslagite, a mineral with tetrahedral berylloarsenate sheet anions
 Note: anisoB's from ICSD
;
_database_code_amcsd 0010863
_chemical_formula_sum 'Ca Be As O5 H'
_cell_length_a 4.8818
_cell_length_b 7.809
_cell_length_c 10.127
_cell_angle_alpha 90
_cell_angle_beta 90.16
_cell_angle_gamma 90
_cell_volume 386.060
_exptl_crystal_density_diffrn      3.527
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+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
Ca   0.99850   0.11170   0.32840   0.00925
Be   0.55100   0.41470   0.33810   0.00785
As   0.47900   0.27511   0.07950   0.00519
O1   0.24000   0.41370   0.03100   0.01254
O2   0.67790   0.28970   0.45290   0.01229
O3   0.69060   0.34520   0.19920   0.01178
O4   0.31060   0.10440   0.14390   0.01254
O-H   0.22260   0.41270   0.33080   0.01191
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 0.00773 0.01112 0.00862 -0.00116 0.00100 -0.00096
As 0.00604 0.00584 0.00353 0.00077 -0.00015 -0.00008
O1 0.01570 0.01174 0.00935 0.00521 -0.00050 0.00040
O2 0.01087 0.01390 0.01247 -0.00058 0.00250 0.00441
O3 0.01087 0.01699 0.00779 0.00039 -0.00125 -0.00040
O4 0.01207 0.00896 0.01663 -0.00135 0.00225 0.00200
O-H 0.00724 0.01730 0.01195 -0.00097 0.00075 -0.00240