#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/31/7033135.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_7033135
loop_
_publ_author_name
'Kim, Minsung'
'Kobayashi, Makoto'
'Kato, Hideki'
'Yamane, Hisanori'
'Sato, Yasushi'
'Kakihana, Masato'
_publ_section_title
;
 Crystal structures and luminescence properties of
 Eu²⁺-activated new NaBa0.5Ca0.5PO₄ and
 Na₃Ba₂Ca(PO₄)₃.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1900
_journal_page_last               1904
_journal_paper_doi               10.1039/c4dt03024a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '2(O4 P), Ba, Ca, 2(Na)'
_chemical_formula_structural     Na2CaBa(PO4)2
_chemical_formula_sum            'Ba Ca Na2 O8 P2'
_chemical_formula_weight         413.34
_chemical_name_common
;
sodium calcium barium phosphate  
;
_chemical_name_systematic
; 
disodium monocalcium monobarium phosphate
;
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   5.4474(4)
_cell_length_b                   5.4474(4)
_cell_length_c                   7.3624(5)
_cell_measurement_reflns_used    1864
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      4.32
_cell_volume                     189.20(2)
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation, 2005)'
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 2005)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation, 2005)'
_computing_molecular_graphics    'VESTA (Momma & Izumi, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0102
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1852
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         4.32
_exptl_absorpt_coefficient_mu    6.476
_exptl_absorpt_correction_T_max  0.884408
_exptl_absorpt_correction_T_min  0.725409
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(NUMABS; Higashi, 1999)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.628
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             192
_exptl_crystal_size_max          0.093
_exptl_crystal_size_mid          0.073
_exptl_crystal_size_min          0.048
_refine_diff_density_max         0.530
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0168
_refine_ls_R_factor_gt           0.0168
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0162P)²+0.6331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0408
_refine_ls_wR_factor_ref         0.0408
_reflns_number_gt                193
_reflns_number_total             193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03024a1.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;Adding full bibliography for 7033134--7033135.cif.

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               7033135
_shelxl_version_number           2014-3
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z'
'x, x-y, z'
'-y, -x, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Na1 Na 0.3333 0.6667 0.7094(7) 0.0222(14) Uani 1 6 d S T P
Ca1 Ca 0.0000 0.0000 0.5000 0.0088(4) Uani 1 12 d S T P
Ba1 Ba 0.0000 0.0000 0.0000 0.0148(2) Uani 1 12 d S T P
P1 P 0.3333 0.6667 0.2294(4) 0.0087(7) Uani 1 6 d S T P
O1 O 0.3333 0.6667 0.0232(12) 0.0176(16) Uani 1 6 d S T P
O2 O 0.1217(9) 0.3675(11) 0.3005(5) 0.0167(11) Uiso 0.5 1 d . . P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-4.83 2.28 3.39 0.0277
-3.01 -2.43 0.16 0.0332
-2.94 3.02 -5.71 0.0387
-1.88 -0.31 -6.64 0.0366
1.40 -5.06 -2.10 0.0165
2.70 -1.99 6.32 0.0133
-1.71 5.26 1.32 0.0312
-1.04 4.76 2.90 0.0294
3.37 -1.96 -5.77 0.0072
-3.27 2.46 5.75 0.0145
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Na1 O2 91.74(18) 1_556 7_566
O1 Na1 O2 91.74(18) 1_556 6_566
O2 Na1 O2 67.7(2) 7_566 6_566
O1 Na1 O2 91.74(18) 1_556 5_556
O2 Na1 O2 52.2(2) 7_566 5_556
O2 Na1 O2 119.91(2) 6_566 5_556
O1 Na1 O2 91.74(18) 1_556 9_666
O2 Na1 O2 119.91(2) 7_566 9_666
O2 Na1 O2 52.2(2) 6_566 9_666
O2 Na1 O2 171.5(3) 5_556 9_666
O1 Na1 O2 91.74(18) 1_556 8_556
O2 Na1 O2 119.91(2) 7_566 8_556
O2 Na1 O2 171.5(3) 6_566 8_556
O2 Na1 O2 67.7(2) 5_556 8_556
O2 Na1 O2 119.91(2) 9_666 8_556
O1 Na1 O2 91.74(18) 1_556 4_666
O2 Na1 O2 171.5(3) 7_566 4_666
O2 Na1 O2 119.91(2) 6_566 4_666
O2 Na1 O2 119.91(2) 5_556 4_666
O2 Na1 O2 67.7(2) 9_666 4_666
O2 Na1 O2 52.2(2) 8_556 4_666
O1 Na1 P1 81.85(11) 1_556 7_666
O2 Na1 P1 145.68(13) 7_566 7_666
O2 Na1 P1 145.68(13) 6_566 7_666
O2 Na1 P1 94.07(12) 5_556 7_666
O2 Na1 P1 94.07(12) 9_666 7_666
O2 Na1 P1 27.88(12) 8_556 7_666
O2 Na1 P1 27.88(12) 4_666 7_666
O1 Na1 P1 81.85(11) 1_556 7_676
O2 Na1 P1 94.07(12) 7_566 7_676
O2 Na1 P1 27.88(12) 6_566 7_676
O2 Na1 P1 145.68(13) 5_556 7_676
O2 Na1 P1 27.88(12) 9_666 7_676
O2 Na1 P1 145.68(13) 8_556 7_676
O2 Na1 P1 94.07(12) 4_666 7_676
P1 Na1 P1 118.02(5) 7_666 7_676
O1 Na1 P1 81.85(11) 1_556 7_566
O2 Na1 P1 27.88(12) 7_566 7_566
O2 Na1 P1 94.07(12) 6_566 7_566
O2 Na1 P1 27.88(12) 5_556 7_566
O2 Na1 P1 145.68(13) 9_666 7_566
O2 Na1 P1 94.07(12) 8_556 7_566
O2 Na1 P1 145.68(13) 4_666 7_566
P1 Na1 P1 118.02(5) 7_666 7_566
P1 Na1 P1 118.02(5) 7_676 7_566
O1 Na1 Ca1 116.11(8) 1_556 1_565
O2 Na1 Ca1 40.66(12) 7_566 1_565
O2 Na1 Ca1 40.66(12) 6_566 1_565
O2 Na1 Ca1 85.77(13) 5_556 1_565
O2 Na1 Ca1 85.77(13) 9_666 1_565
O2 Na1 Ca1 142.4(2) 8_556 1_565
O2 Na1 Ca1 142.4(2) 4_666 1_565
P1 Na1 Ca1 162.04(18) 7_666 1_565
P1 Na1 Ca1 67.54(4) 7_676 1_565
P1 Na1 Ca1 67.54(4) 7_566 1_565
O1 Na1 Ca1 116.11(8) 1_556 .
O2 Na1 Ca1 85.77(14) 7_566 .
O2 Na1 Ca1 142.4(2) 6_566 .
O2 Na1 Ca1 40.66(12) 5_556 .
O2 Na1 Ca1 142.4(2) 9_666 .
O2 Na1 Ca1 40.66(12) 8_556 .
O2 Na1 Ca1 85.77(14) 4_666 .
P1 Na1 Ca1 67.54(4) 7_666 .
P1 Na1 Ca1 162.04(18) 7_676 .
P1 Na1 Ca1 67.54(4) 7_566 .
Ca1 Na1 Ca1 102.09(10) 1_565 .
O2 Ca1 O2 96.51(17) . 8_556
O2 Ca1 O2 83.49(17) . 2
O2 Ca1 O2 180.0 8_556 2
O2 Ca1 O2 70.9(2) . 12
O2 Ca1 O2 163.1(2) 8_556 12
O2 Ca1 O2 16.9(2) 2 12
O2 Ca1 O2 109.1(2) . 6_556
O2 Ca1 O2 16.9(2) 8_556 6_556
O2 Ca1 O2 163.1(2) 2 6_556
O2 Ca1 O2 180.0 12 6_556
O2 Ca1 O2 93.3(2) . 11
O2 Ca1 O2 109.1(2) 8_556 11
O2 Ca1 O2 70.9(2) 2 11
O2 Ca1 O2 83.49(17) 12 11
O2 Ca1 O2 96.51(17) 6_556 11
O2 Ca1 O2 86.7(2) . 5_556
O2 Ca1 O2 70.9(2) 8_556 5_556
O2 Ca1 O2 109.1(2) 2 5_556
O2 Ca1 O2 96.51(17) 12 5_556
O2 Ca1 O2 83.49(17) 6_556 5_556
O2 Ca1 O2 180.00(15) 11 5_556
O2 Ca1 O2 96.51(17) . 9_556
O2 Ca1 O2 83.49(17) 8_556 9_556
O2 Ca1 O2 96.51(17) 2 9_556
O2 Ca1 O2 86.7(2) 12 9_556
O2 Ca1 O2 93.3(2) 6_556 9_556
O2 Ca1 O2 163.1(2) 11 9_556
O2 Ca1 O2 16.9(2) 5_556 9_556
O2 Ca1 O2 83.49(17) . 3
O2 Ca1 O2 96.51(17) 8_556 3
O2 Ca1 O2 83.49(17) 2 3
O2 Ca1 O2 93.3(2) 12 3
O2 Ca1 O2 86.7(2) 6_556 3
O2 Ca1 O2 16.9(2) 11 3
O2 Ca1 O2 163.1(2) 5_556 3
O2 Ca1 O2 180.0 9_556 3
O2 Ca1 O2 16.9(2) . 10
O2 Ca1 O2 86.7(2) 8_556 10
O2 Ca1 O2 93.3(2) 2 10
O2 Ca1 O2 83.49(17) 12 10
O2 Ca1 O2 96.51(17) 6_556 10
O2 Ca1 O2 83.49(17) 11 10
O2 Ca1 O2 96.51(17) 5_556 10
O2 Ca1 O2 109.1(2) 9_556 10
O2 Ca1 O2 70.9(2) 3 10
O2 Ca1 O2 163.1(2) . 4_556
O2 Ca1 O2 93.3(2) 8_556 4_556
O2 Ca1 O2 86.7(2) 2 4_556
O2 Ca1 O2 96.51(17) 12 4_556
O2 Ca1 O2 83.49(17) 6_556 4_556
O2 Ca1 O2 96.51(17) 11 4_556
O2 Ca1 O2 83.49(17) 5_556 4_556
O2 Ca1 O2 70.9(2) 9_556 4_556
O2 Ca1 O2 109.1(2) 3 4_556
O2 Ca1 O2 180.0(2) 10 4_556
O2 Ca1 O2 180.0(2) . 7_556
O2 Ca1 O2 83.49(17) 8_556 7_556
O2 Ca1 O2 96.51(17) 2 7_556
O2 Ca1 O2 109.1(2) 12 7_556
O2 Ca1 O2 70.9(2) 6_556 7_556
O2 Ca1 O2 86.7(2) 11 7_556
O2 Ca1 O2 93.3(2) 5_556 7_556
O2 Ca1 O2 83.49(17) 9_556 7_556
O2 Ca1 O2 96.51(17) 3 7_556
O2 Ca1 O2 163.1(2) 10 7_556
O2 Ca1 O2 16.9(2) 4_556 7_556
O2 Ba1 O2 13.70(17) . 10
O2 Ba1 O2 166.30(17) . 4
O2 Ba1 O2 180.00(10) 10 4
O2 Ba1 O2 180.0 . 7
O2 Ba1 O2 166.30(17) 10 7
O2 Ba1 O2 13.70(17) 4 7
O2 Ba1 O2 114.59(15) . 9
O2 Ba1 O2 123.84(18) 10 9
O2 Ba1 O2 56.16(18) 4 9
O2 Ba1 O2 65.41(15) 7 9
O2 Ba1 O2 65.41(15) . 3
O2 Ba1 O2 56.16(18) 10 3
O2 Ba1 O2 123.84(18) 4 3
O2 Ba1 O2 114.59(15) 7 3
O2 Ba1 O2 180.0(3) 9 3
O2 Ba1 O2 72.32(18) . 11
O2 Ba1 O2 65.41(15) 10 11
O2 Ba1 O2 114.59(15) 4 11
O2 Ba1 O2 107.68(18) 7 11
O2 Ba1 O2 166.30(17) 9 11
O2 Ba1 O2 13.70(17) 3 11
O2 Ba1 O2 107.68(18) . 5
O2 Ba1 O2 114.59(15) 10 5
O2 Ba1 O2 65.41(15) 4 5
O2 Ba1 O2 72.32(18) 7 5
O2 Ba1 O2 13.70(17) 9 5
O2 Ba1 O2 166.30(17) 3 5
O2 Ba1 O2 180.0 11 5
O2 Ba1 O2 56.16(18) . 12
O2 Ba1 O2 65.41(15) 10 12
O2 Ba1 O2 114.59(15) 4 12
O2 Ba1 O2 123.84(18) 7 12
O2 Ba1 O2 107.68(18) 9 12
O2 Ba1 O2 72.32(18) 3 12
O2 Ba1 O2 65.41(15) 11 12
O2 Ba1 O2 114.59(15) 5 12
O2 Ba1 O2 123.84(18) . 6
O2 Ba1 O2 114.59(15) 10 6
O2 Ba1 O2 65.41(15) 4 6
O2 Ba1 O2 56.16(18) 7 6
O2 Ba1 O2 72.32(18) 9 6
O2 Ba1 O2 107.68(18) 3 6
O2 Ba1 O2 114.59(15) 11 6
O2 Ba1 O2 65.41(15) 5 6
O2 Ba1 O2 180.0 12 6
O2 Ba1 O2 114.59(15) . 8
O2 Ba1 O2 107.68(18) 10 8
O2 Ba1 O2 72.32(18) 4 8
O2 Ba1 O2 65.41(15) 7 8
O2 Ba1 O2 65.41(15) 9 8
O2 Ba1 O2 114.59(15) 3 8
O2 Ba1 O2 123.84(18) 11 8
O2 Ba1 O2 56.16(18) 5 8
O2 Ba1 O2 166.30(17) 12 8
O2 Ba1 O2 13.70(17) 6 8
O2 Ba1 O2 65.41(15) . 2
O2 Ba1 O2 72.32(18) 10 2
O2 Ba1 O2 107.68(18) 4 2
O2 Ba1 O2 114.59(15) 7 2
O2 Ba1 O2 114.59(15) 9 2
O2 Ba1 O2 65.41(15) 3 2
O2 Ba1 O2 56.16(18) 11 2
O2 Ba1 O2 123.84(18) 5 2
O2 Ba1 O2 13.70(17) 12 2
O2 Ba1 O2 166.30(17) 6 2
O2 Ba1 O2 180.0(2) 8 2
O1 P1 O2 109.83(18) . 3_565
O1 P1 O2 109.83(18) . 11_565
O2 P1 O2 25.3(3) 3_565 11_565
O1 P1 O2 109.83(18) . 12_665
O2 P1 O2 86.1(3) 3_565 12_665
O2 P1 O2 109.11(19) 11_565 12_665
O1 P1 O2 109.83(18) . 2_665
O2 P1 O2 109.11(19) 3_565 2_665
O2 P1 O2 128.8(3) 11_565 2_665
O2 P1 O2 25.3(3) 12_665 2_665
O1 P1 O2 109.83(18) . 10
O2 P1 O2 128.8(3) 3_565 10
O2 P1 O2 109.11(19) 11_565 10
O2 P1 O2 109.11(19) 12_665 10
O2 P1 O2 86.1(3) 2_665 10
O1 P1 O2 109.83(18) . .
O2 P1 O2 109.11(19) 3_565 .
O2 P1 O2 86.1(3) 11_565 .
O2 P1 O2 128.8(3) 12_665 .
O2 P1 O2 109.11(19) 2_665 .
O2 P1 O2 25.3(3) 10 .
O1 P1 Na1 98.15(11) . 7_666
O2 P1 Na1 149.0(2) 3_565 7_666
O2 P1 Na1 149.0(2) 11_565 7_666
O2 P1 Na1 71.74(16) 12_665 7_666
O2 P1 Na1 46.48(16) 2_665 7_666
O2 P1 Na1 46.48(16) 10 7_666
O2 P1 Na1 71.74(16) . 7_666
O1 P1 Na1 98.15(11) . 7_676
O2 P1 Na1 46.48(16) 3_565 7_676
O2 P1 Na1 71.74(16) 11_565 7_676
O2 P1 Na1 46.48(16) 12_665 7_676
O2 P1 Na1 71.74(16) 2_665 7_676
O2 P1 Na1 149.0(2) 10 7_676
O2 P1 Na1 149.0(2) . 7_676
Na1 P1 Na1 118.02(5) 7_666 7_676
O1 P1 Na1 98.15(11) . 7_566
O2 P1 Na1 71.74(16) 3_565 7_566
O2 P1 Na1 46.48(16) 11_565 7_566
O2 P1 Na1 149.0(2) 12_665 7_566
O2 P1 Na1 149.0(2) 2_665 7_566
O2 P1 Na1 71.74(16) 10 7_566
O2 P1 Na1 46.48(16) . 7_566
Na1 P1 Na1 118.02(5) 7_666 7_566
Na1 P1 Na1 118.02(5) 7_676 7_566
O1 P1 Ba1 61.76(4) . 1_565
O2 P1 Ba1 49.79(17) 3_565 1_565
O2 P1 Ba1 49.79(17) 11_565 1_565
O2 P1 Ba1 113.36(15) 12_665 1_565
O2 P1 Ba1 136.93(16) 2_665 1_565
O2 P1 Ba1 136.93(16) 10 1_565
O2 P1 Ba1 113.36(16) . 1_565
Na1 P1 Ba1 159.92(13) 7_666 1_565
Na1 P1 Ba1 68.35(6) 7_676 1_565
Na1 P1 Ba1 68.35(6) 7_566 1_565
O1 P1 Ba1 61.76(4) . .
O2 P1 Ba1 136.93(17) 3_565 .
O2 P1 Ba1 113.36(16) 11_565 .
O2 P1 Ba1 136.93(16) 12_665 .
O2 P1 Ba1 113.36(15) 2_665 .
O2 P1 Ba1 49.79(17) 10 .
O2 P1 Ba1 49.79(17) . .
Na1 P1 Ba1 68.35(6) 7_666 .
Na1 P1 Ba1 159.92(13) 7_676 .
Na1 P1 Ba1 68.35(6) 7_566 .
Ba1 P1 Ba1 99.45(5) 1_565 .
P1 O1 Na1 180.0 . 1_554
P1 O1 Ba1 93.11(16) . 1_565
Na1 O1 Ba1 86.89(16) 1_554 1_565
P1 O1 Ba1 93.11(16) . .
Na1 O1 Ba1 86.89(16) 1_554 .
Ba1 O1 Ba1 119.71(3) 1_565 .
P1 O1 Ba1 93.11(16) . 1_665
Na1 O1 Ba1 86.89(16) 1_554 1_665
Ba1 O1 Ba1 119.71(3) 1_565 1_665
Ba1 O1 Ba1 119.71(3) . 1_665
O2 O2 P1 77.35(16) 10 .
O2 O2 Ca1 81.55(10) 10 .
P1 O2 Ca1 151.1(3) . .
O2 O2 Na1 175.77(13) 10 7_566
P1 O2 Na1 105.6(2) . 7_566
Ca1 O2 Na1 96.62(19) . 7_566
O2 O2 Ba1 83.15(8) 10 .
P1 O2 Ba1 105.6(2) . .
Ca1 O2 Ba1 91.15(16) . .
Na1 O2 Ba1 93.10(18) 7_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Na1 O1 2.310(9) 1_556
Na1 O2 2.393(4) 7_566
Na1 O2 2.393(4) 6_566
Na1 O2 2.393(4) 5_556
Na1 O2 2.393(4) 9_666
Na1 O2 2.393(4) 8_556
Na1 O2 2.393(4) 4_666
Na1 P1 3.1771(9) 7_666
Na1 P1 3.1772(9) 7_676
Na1 P1 3.1772(9) 7_566
Na1 Ca1 3.503(2) 1_565
Na1 Ca1 3.503(2) .
Ca1 O2 2.297(5) .
Ca1 O2 2.297(5) 8_556
Ca1 O2 2.297(5) 2
Ca1 O2 2.297(5) 12
Ca1 O2 2.297(5) 6_556
Ca1 O2 2.297(5) 11
Ca1 O2 2.297(5) 5_556
Ca1 O2 2.297(5) 9_556
Ca1 O2 2.297(5) 3
Ca1 O2 2.297(5) 10
Ca1 O2 2.297(5) 4_556
Ca1 O2 2.297(5) 7_556
Ba1 O2 2.831(4) .
Ba1 O2 2.831(4) 10
Ba1 O2 2.831(4) 4
Ba1 O2 2.831(4) 7
Ba1 O2 2.831(4) 9
Ba1 O2 2.831(4) 3
Ba1 O2 2.831(4) 11
Ba1 O2 2.831(4) 5
Ba1 O2 2.831(4) 12
Ba1 O2 2.831(4) 6
Ba1 O2 2.831(4) 8
Ba1 O2 2.831(4) 2
P1 O1 1.518(9) .
P1 O2 1.543(5) 3_565
P1 O2 1.543(5) 11_565
P1 O2 1.543(5) 12_665
P1 O2 1.543(5) 2_665
P1 O2 1.543(5) 10
P1 O2 1.543(5) .
P1 Na1 3.1771(9) 7_666
P1 Na1 3.1772(9) 7_676
P1 Na1 3.1772(9) 7_566
P1 Ba1 3.5699(14) 1_565
O1 Na1 2.310(9) 1_554
O1 Ba1 3.1497(5) 1_565
O1 Ba1 3.1497(5) 1_665
O2 O2 0.675(8) 10
O2 Na1 2.393(4) 7_566
