data_global
_chemical_name_mineral 'Calcybeborosilite-(Y)'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Pushcharovsky D Y'
'Pekov I V'
'Voloshin A V'
_journal_name_full 'Kristallografiya'
_journal_volume 41 
_journal_year 1996
_journal_page_first 235
_journal_page_last 239
_publ_section_title
;
 Crystal structure of calcybeborosilite and its place in the datolite-gadolinite
 isomorphous series
;
_database_code_amcsd 0014195
_chemical_formula_sum '(Ca.9 Y.84 Ce.26) Fe.25 Mn.05 (B Be) Si2 O10 H1.3'
_cell_length_a 9.846
_cell_length_b 7.600
_cell_length_c 4.766
_cell_angle_alpha 90
_cell_angle_beta 90.11
_cell_angle_gamma 90
_cell_volume 356.637
_exptl_crystal_density_diffrn      3.736
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
CaM1   0.33100   0.10660   0.99750   0.45000   0.01824
YM1   0.33100   0.10660   0.99750   0.42000   0.01824
CeM1   0.33100   0.10660   0.99750   0.13000   0.01824
FeM2   0.00000   0.00000   0.00000   0.25000   0.02153
MnM2   0.00000   0.00000   0.00000   0.05000   0.02153
BT2   0.33900   0.41400   0.54400   0.50000   0.02026
BeT2   0.33900   0.41400   0.54400   0.50000   0.02026
SiT1   0.08080   0.27050   0.48350   1.00000   0.01887
O1   0.03300   0.40600   0.24400   1.00000   0.02660
O2   0.45300   0.29200   0.67400   1.00000   0.02913
O3   0.20200   0.33700   0.68400   1.00000   0.03040
O4   0.14500   0.09800   0.30700   1.00000   0.03293
O5   0.33100   0.41000   0.23400   0.35000   0.02406
O-H5   0.33100   0.41000   0.23400   0.65000   0.02406