#------------------------------------------------------------------------------
#$Date: 2016-11-18 14:37:42 +0100 (vie 18 de nov de 2016) $
#$Revision: 188565 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/46/1544621.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1544621
loop_
_publ_author_name
'Matsuzaki, T.'
'Hagiya, K.'
'Shatskiy, A.'
'Katsura, T.'
'Matsui, M.'
_publ_section_title
;
 Crystal structure of anhydrous phase X, K1.93(Mg2.02Cr0.02)Si2.00O7
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              303
_journal_page_last               308
_journal_volume                  105
_journal_year                    2010
_chemical_formula_sum            'Cr0.02 K1.93 Mg2.02 O7 Si2'
_chemical_name_common            K1.93(Mg2.02Cr0.02)Si2O7
_chemical_name_mineral           'anhydrous phase X'
_space_group_IT_number           162
_space_group_name_H-M_alt        'P -3 1 m'
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.0756(1)
_cell_length_b                   5.0756(1)
_cell_length_c                   6.5969(2)
_cell_volume                     147.179(6)
_cod_data_source_file            K2Mg2Si2O7.cif
_cod_data_source_block           K1Mg2Si2O7
_cod_original_formula_sum        'K1.93 Mg2.02 Cr0.02 Si2 O7'
_cod_database_code               1544621
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'-y, -x, -z'
'y, x, z'
'-x+y, y, -z'
'x-y, -y, z'
'x, x-y, -z'
'-x, -x+y, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
K 1.0 0.333333 0.666667 0.500000 Biso 0.900 K
Mg 1.0 0.666667 0.333333 0.000000 Biso 0.340 Mg
Si 1.0 0.000000 0.000000 0.24350(10) Biso 0.220 Si
O1 1.0 0.000000 0.000000 0.500000 Biso 0.580 O
O2 1.0 0.3101(4) 0.000000 0.8186(2) Biso 0.370 O
