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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/15/9011515.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_9011515
loop_
_publ_author_name
'Alkemper, J.'
'Fuess, H.'
_publ_section_title
;
 The crystal structures of NaMgPO₄, Na₂CaMg(PO₄)₂ and 
Na₁₈Ca₁₃Mg₅(PO₄)₁₈:
 new examples for glaserite related structures
 Note: known as the beta polymorph of Na₂CaMg(PO₄)₂
;
_journal_issue                   5
_journal_name_full               'Zeitschrift f"ur Kristallographie'
_journal_page_first              282
_journal_page_last               287
_journal_paper_doi               10.1524/zkri.1998.213.5.282
_journal_volume                  213
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_structural     Na2CaMg(PO4)2
_chemical_formula_sum            'Ca Mg Na2 O8 P2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.309
_cell_length_b                   5.309
_cell_length_c                   7.237
_cell_formula_units_Z            1
_cell_volume                     176.650
_database_code_amcsd             0011079
_exptl_crystal_density_diffrn    2.823
_cod_original_formula_sum        'Na2 Ca Mg P2 O8'
_cod_database_code               9011515
_amcsd_formula_title             Na2CaMg(PO4)2
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.33333 0.66667 0.76600 0.01267
Ca 0.00000 0.00000 0.50000 0.01267
Mg 0.00000 0.00000 0.00000 0.01013
P 0.33333 0.66667 0.24900 0.00507
O1 0.33333 0.66667 0.02900 0.01267
O2 0.17600 -0.17600 0.31000 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011079
