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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013461.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_9013461
loop_
_publ_author_name
'Lengauer, C. L.'
'Hrauda, N.'
'Kolitsch, U.'
'Krickl, R.'
'Tillmanns, E.'
_publ_section_title
;
 Friedrichbeckeite, K(_0.5Na0.5)2(Mg0.8Mn0.1Fe0.1)2(Be0.6Mg0.4)3[Si12O30],
 a new milarite-type mineral from the Bellerberg volcano, Eifel area, Germany
 Locality: Bellerberg volcano, Eifel area, Germany
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              221
_journal_page_last               232
_journal_paper_doi               10.1007/s00710-009-0050-9
_journal_volume                  96
_journal_year                    2009
_chemical_formula_sum
'Be1.821 K0.926 Mg2.793 Mn0.386 Na0.772 O30 Si12'
_chemical_name_mineral           Friedrichbeckeite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.970
_cell_length_b                   9.970
_cell_length_c                   14.130
_cell_volume                     1216.363
_exptl_crystal_density_diffrn    2.666
_cod_original_formula_sum
'K.926 Na.772 Mg2.793 Mn.386 Be1.821 Si12 O30'
_cod_database_code               9013461
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,-z
x-y,x,z
-y,-x,1/2+z
y,x,1/2-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,-z
-x,-y,z
x,x-y,1/2+z
-x,-x+y,1/2-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,-z
y,-x+y,z
-x+y,y,1/2+z
x-y,-y,1/2-z
-x,-y,-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
KC 0.02420 0.02420 0.03090 0.01210 0.00000 0.00000
NaB 0.02000 0.02000 0.05000 0.01000 0.00000 0.00000
MgA 0.01570 0.01570 0.01650 0.00785 0.00000 0.00000
MnA 0.01570 0.01570 0.01650 0.00785 0.00000 0.00000
BeT2 0.01400 0.00590 0.01170 0.00295 0.00000 0.00000
MgT2 0.01400 0.00590 0.01170 0.00295 0.00000 0.00000
SiT1 0.01150 0.01190 0.01320 0.00570 -0.00020 -0.00210
O1 0.04700 0.02400 0.01240 0.01400 0.00000 0.00000
O2 0.02900 0.03930 0.03580 0.02770 -0.00060 -0.00400
O3 0.03040 0.01930 0.02220 0.01640 -0.01060 -0.00940
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
KC 0.00000 0.00000 0.25000 0.92600 0.02650
NaB 0.33333 0.66667 0.02040 0.19300 0.03000
MgA 0.33333 0.66667 0.25000 0.80700 0.01600
MnA 0.33333 0.66667 0.25000 0.19300 0.01600
BeT2 0.50000 0.00000 0.25000 0.60700 0.01140
MgT2 0.50000 0.00000 0.25000 0.39300 0.01140
SiT1 0.10056 0.35367 0.10910 1.00000 0.01230
O1 0.11900 0.40850 0.00000 1.00000 0.02940
O2 0.21070 0.28140 0.12840 1.00000 0.02990
O3 0.13530 0.49180 0.17900 1.00000 0.02220