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#$Date: 2013-12-28 15:58:47 +0200 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/10/2101099.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 by IUCr Journals, http://journals.iucr.org/.
#
# 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_2101099
loop_
_publ_author_name
'Bell, A. M. T.'
'Henderson, C. M. B.'
'Redfern, S. A. T.'
'Cernik, R. J.'
'Champness, P. E.'
'Fitch, A. N.'
'Kohn, S. C.'
_publ_section_title
;
 Structures of synthetic K~2~MgSi~5~O~12~ leucites by integrated X-ray
 powder diffraction, electron diffraction and ^29^Si MAS NMR methods
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              31
_journal_page_last               41
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'K2 Mg O12 Si5'
_chemical_formula_weight         435
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4bd 2ab 3 '
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   13.41900(10)
_cell_length_b                   13.41900(10)
_cell_length_c                   13.41900(10)
_cell_volume                     2416.33(5)
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     1.52094
_[local]_cod_data_source_file    li0152.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K .125 .125 .125
Si .125 .6616(2) .5884(2)
Mg .125 .6616(2) .5884(2)
O .4684(3) .3847(2) .1446(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Si O 1.589(4)
Si O' 1.631(3)
K O 3.470(3)
K O' 3.339(3)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O Si O 112.5(2)
O Si O' 110.5(2)
O Si O" 104.6(2)
O Si O" 106.4(2)
Si O Si' 144.5(2)
_cod_database_code 2101099
_journal_paper_doi 10.1107/S0108768193008754