#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/66/9006648.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_9006648
loop_
_publ_author_name
'Knorr, K.'
'Meschke, M.'
'Winkler, B.'
_publ_section_title
;
 Structural and magnetic properties of Co2Al4Si5O18
 and Mn2Al4Si5O18 cordierite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              521
_journal_page_last               529
_journal_paper_doi               10.1007/s002690050215
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Mn2Al4Si5O18
_chemical_formula_sum            'Al4 Mn2 O18 Si5'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.128
_cell_length_b                   9.764
_cell_length_c                   9.147
_cell_formula_units_Z            4
_cell_volume                     1529.724
_database_code_amcsd             0008230
_exptl_crystal_density_diffrn    2.806
_cod_original_formula_sum        'Mn2 Al4 Si5 O18'
_cod_database_code               9006648
_amcsd_formula_title             Mn2Al4Si5O18
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,1/2+z
1/2-x,1/2+y,1/2+z
x,-y,1/2-z
1/2+x,1/2-y,1/2-z
x,y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2-x,1/2-y,z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn 0.33600 0.00000 0.25000 0.01393
AlT11 0.25000 0.25000 0.26200 0.01013
SiT16 0.00000 0.50000 0.25000 0.01013
SiT21 0.18600 0.08600 0.00000 0.01013
SiT23 0.13100 -0.24100 0.00000 0.01013
AlT26 0.04500 0.29900 0.00000 0.01013
O1 0.24380 -0.10540 0.35700 0.01165
O2 0.06040 -0.40660 0.35300 0.01165
O3 -0.17730 -0.30440 0.35800 0.01165
O4 0.04160 -0.24550 0.00000 0.01165
O5 0.11640 0.18800 0.00000 0.01165
O6 0.16490 -0.07600 0.00000 0.01165
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008230
