#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/05/9010530.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010530
loop_
_publ_author_name
'Demartin, F.'
'Pilati, T.'
'Diella, V.'
'Gentile, P.'
'Gramaccioli, C. M.'
_publ_section_title
;
 A crystal-chemical investigation of alpine gadolinite
 Locality: Glogstafelberg, Val Formazza, Italy
 Sample: 10
 Note: structure from ICSD
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              127
_journal_page_last               136
_journal_volume                  31
_journal_year                    1993
_chemical_formula_sum            'B0.56 Be1.44 Ca0.28 Fe0.22 Gd0.72 O10 Si2 Y'
_chemical_name_mineral           Gadolinite-(Y)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.24
_cell_angle_gamma                90
_cell_length_a                   4.752
_cell_length_b                   7.629
_cell_length_c                   9.894
_cell_formula_units_Z            2
_cell_volume                     358.684
_exptl_crystal_density_diffrn    4.267
_cod_original_formula_sum        '(Y Gd.72 Ca.28) (Be1.44 B.56) Fe.22 Si2 O10'
_cod_database_code               9010530
loop_
_symmetry_equiv_pos_as_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_occupancy
Y 0.00074 0.11045 0.33186 0.50000
Gd 0.00074 0.11045 0.33186 0.36000
Ca 0.00074 0.11045 0.33186 0.14000
Be 0.44450 0.41570 0.33760 0.72000
B 0.44450 0.41570 0.33760 0.28000
Fe 0.00000 0.00000 0.00000 0.22000
Si 0.51890 0.27540 0.08016 1.00000
O1 0.75950 0.41120 0.03380 1.00000
O2 0.32710 0.28720 0.45220 1.00000
O3 0.30460 0.34570 0.19670 1.00000
O4 0.68390 0.10810 0.14650 1.00000
O5 0.78550 0.41230 0.33280 1.00000
_cod_duplicate_entry 1536377
