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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009429.cif $
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#
# 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_9009429
loop_
_publ_author_name
'Krivovichev, S. V.'
'Yakovenchuk, V. N.'
'Armbruster, T.'
'Mikhailova, Y.'
'Pakhomovsky, Y. A.'
_publ_section_title
;Clinobarylite, BaBe2Si2O7: Structure refinement, and revision of symmetry and
 physical properties Locality: Khibina alkaline massif, Kola Peninsula, Russia
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              373
_journal_page_last               384
_journal_volume                  2004
_journal_year                    2004
_chemical_compound_source
'Khibina alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum            'Ba Be2 O7 Si2'
_chemical_name_mineral           Clinobarylite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.650
_cell_length_b                   4.922
_cell_length_c                   4.674
_cell_formula_units_Z            2
_cell_volume                     268.013
_database_code_amcsd             0014931
_exptl_crystal_density_diffrn    4.009
_cod_original_formula_sum        'Ba Be2 Si2 O7'
_cod_database_code               9009429
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,1/2+z
-x,y,z
1/2-x,-y,1/2+z
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
Ba 0.01354 0.01192 0.01256 -0.00020 0.00000 0.00000
Si 0.00440 0.00579 0.00900 -0.00330 0.00240 -0.00100
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba 0.50000 0.20270 0.50790 0.01270
Be 0.75195 0.16710 -0.01470 0.00670
Si 0.62820 0.67564 -0.01410 0.00640
O1 0.63911 0.35210 -0.94360 0.00440
O2 0.77733 0.13400 -0.35340 0.00720
O3 0.50000 0.77410 -0.07670 0.01440
O4 0.63300 0.73240 -0.35500 0.00910
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014931
