#------------------------------------------------------------------------------
#$Date: 2016-12-26 13:04:41 +0100 (lun 26 de dic de 2016) $
#$Revision: 189430 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/49/1544900.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1544900
loop_
_publ_author_name
'Kogure, T.'
'Takeuchi, Y.'
_publ_section_title
;
 Compressibility of the BeO4 tetrahedra in the crystal structure of
 phenacite Sample: 2.2 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              22
_journal_page_last               27
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Be2 O4 Si'
_chemical_name_common            Be2SiO4
_chemical_name_mineral           'phenacite at 2.2 GPa'
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.415(3)
_cell_length_b                   12.415(3)
_cell_length_c                   8.215(1)
_cell_volume                     1096.6(4)
_cod_data_source_file            phenacite-2.2GPa.cif
_cod_data_source_block           phenacite-2.2GPa
_cod_original_formula_sum        'Be2 Si O4'
_cod_database_code               1544900
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'x+2/3, y+1/3, z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Si 1.0 0.1952(2) 0.9839(2) 0.7500(2) Biso 0.340000 Si
Be1 1.0 0.1939(10) 0.9833(14) 0.4157(7) Biso 0.670000 Be
Be2 1.0 0.1949(10) 0.9843(10) 0.0839(7) Biso 0.530000 Be
O1 1.0 0.1222(4) 0.9122(4) 0.2501(4) Biso 0.370000 O
O2 1.0 0.3341(4) 0.0004(4) 0.7504(4) Biso 0.420000 O
O3 1.0 0.1224(4) 0.9124(4) 0.9160(4) Biso 0.690000 O
O4 1.0 0.1220(4) 0.9129(4) 0.5843(4) Biso 0.270000 O
