#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/13/9001318.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_9001318
loop_
_publ_author_name
'Tyrna, P. L.'
'Guggenheim, S.'
_publ_section_title
;
 The crystal structure of norrishite, KLiMn2Si4O12: An oxygen-rich mica
;
_journal_name_full               'American Mineralogist'
_journal_page_first              266
_journal_page_last               271
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'K Li Mn2 O12 Si4'
_chemical_name_mineral           Norrishite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.22
_cell_angle_gamma                90
_cell_length_a                   5.289
_cell_length_b                   8.914
_cell_length_c                   10.062
_cell_formula_units_Z            2
_cell_volume                     469.511
_database_code_amcsd             0001348
_exptl_crystal_density_diffrn    3.256
_cod_original_formula_sum        'K Li Mn2 Si4 O12'
_cod_database_code               9001318
loop_
_space_group_symop_operation_xyz
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
-x,-y,-z
1/2-x,1/2-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
K 0.02360 0.02013 0.03869 0.00000 0.00528 0.00000
Li1 0.01249 0.01610 0.02010 0.00000 0.00528 0.00000
Mn2 0.00541 0.00443 0.01909 0.00000 0.00291 0.00000
Si 0.00611 0.00483 0.02010 0.00000 0.00211 0.00000
O1 0.01388 0.00765 0.02512 0.00000 0.00264 0.00000
O2 0.00972 0.01610 0.02060 -0.00591 0.00158 0.00045
O3 0.00694 0.00564 0.02211 0.00047 0.00396 -0.00090
O4 0.01249 0.00604 0.02512 0.00000 0.00528 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.00000 0.50000 0.00000
Li1 0.00000 0.00000 0.50000
Mn2 0.00000 0.34720 0.50000
Si 0.06290 0.17070 0.22700
O1 0.04500 0.00000 0.16700
O2 0.29700 0.24860 0.16150
O3 0.10800 0.17870 0.38530
O4 0.10900 0.50000 0.39600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001348
